data_2yrb_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 2yrb _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 604' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.809 0.338 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 605' ' ' ASN . . . . . . . . . . . . . 88.7 m-20 -120.5 131.63 54.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.92 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 606' ' ' LEU . . . . . . . . . . . . . 6.0 tp -110.45 119.16 38.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.946 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 607' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -99.5 108.27 20.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.875 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 608' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -109.88 147.72 32.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 609' ' ' ILE . . . . . . . . . . . . . 69.5 mt -139.31 109.11 3.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.113 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 610' ' ' HIS . . . . . 0.525 ' HD1' ' N ' ' A' ' 611' ' ' ILE . 0.3 OUTLIER -108.19 118.7 37.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 179.883 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 611' ' ' ILE . . . . . 0.525 ' N ' ' HD1' ' A' ' 610' ' ' HIS . 12.6 mm -97.52 114.91 35.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.115 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 612' ' ' ASN . . . . . . . . . . . . . 33.4 t-20 -63.26 -67.72 0.4 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.882 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 613' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.17 178.65 3.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.898 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 614' ' ' VAL . . . . . . . . . . . . . 75.6 t -124.46 118.11 52.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.106 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 615' ' ' THR . . . . . . . . . . . . . 7.4 m -91.15 159.2 16.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.15 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 616' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -126.56 166.4 17.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.883 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 1.1 t -100.91 157.94 16.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.873 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 618' ' ' SER . . . . . . . . . . . . . 94.4 p -43.05 -28.66 0.29 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.9 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 619' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -72.02 -50.97 24.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.886 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 620' ' ' VAL . . . . . . . . . . . . . 4.7 t -67.81 -36.26 75.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.127 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 621' ' ' LEU . . . . . . . . . . . . . 88.7 mt -56.23 -47.03 79.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.851 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 622' ' ' GLN . . . . . . . . . . . . . 55.7 mm-40 -79.69 -48.54 13.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.881 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -47.85 -30.65 4.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.087 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 2.7 t -42.44 -71.41 0.08 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 625' ' ' GLY . . . . . . . . . . . . . . . 137.09 30.0 0.28 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.463 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 626' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 53.41 30.23 10.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.951 0.405 . . . . 0.0 110.874 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 29.4 mtmm -142.11 125.32 16.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -37.93 99.8 0.19 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.613 0.72 . . . . 0.0 110.879 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 629' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 131.7 21.83 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.74 2.293 . . . . 0.0 112.37 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 630' ' ' VAL . . . . . . . . . . . . . 2.4 t -109.37 120.54 60.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.161 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 631' ' ' THR . . . . . . . . . . . . . 9.7 p -139.14 167.67 21.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.172 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 632' ' ' PHE . . . . . 0.644 ' CE2' ' NE2' ' A' ' 683' ' ' HIS . 45.3 p90 -153.05 145.16 23.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.886 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 633' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -109.46 163.65 13.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.88 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 634' ' ' THR . . . . . . . . . . . . . 43.6 p -149.03 153.79 38.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.14 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 635' ' ' TYR . . . . . 0.414 ' CD1' ' C ' ' A' ' 635' ' ' TYR . 5.3 p90 -166.77 165.99 16.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.931 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 636' ' ' ALA . . . . . . . . . . . . . . . -143.75 133.96 24.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.109 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 637' ' ' PHE . . . . . 0.55 ' CD2' ' HB2' ' A' ' 638' ' ' TYR . 63.3 t80 -110.33 149.17 30.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.862 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 638' ' ' TYR . . . . . 0.55 ' HB2' ' CD2' ' A' ' 637' ' ' PHE . 3.3 t80 46.97 33.74 2.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 639' ' ' ASP . . . . . . . . . . . . . 7.5 t0 53.1 40.72 31.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.875 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 640' ' ' PHE . . . . . 0.43 ' CD2' ' HB3' ' A' ' 638' ' ' TYR . 5.5 m-85 -95.25 -174.98 3.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.866 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -61.34 127.18 30.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.862 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 642' ' ' LEU . . . . . . . . . . . . . 3.4 tp -65.54 141.88 58.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.931 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 643' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -114.5 132.69 56.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 644' ' ' THR . . . . . . . . . . . . . 59.9 m -95.11 118.13 31.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.11 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 645' ' ' THR . . . . . . . . . . . . . 46.8 p -58.0 153.27 35.07 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.562 0.696 . . . . 0.0 111.169 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 646' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 121.62 8.3 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.713 2.275 . . . . 0.0 112.324 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 647' ' ' VAL . . . . . . . . . . . . . 26.4 t -69.04 134.38 30.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.119 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 24.2 t -148.65 141.41 18.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.114 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 649' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -90.68 147.39 23.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.837 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 650' ' ' GLY . . . . . . . . . . . . . . . 135.52 -176.74 19.93 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.462 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 651' ' ' LEU . . . . . 0.51 ' HB3' ' CD2' ' A' ' 652' ' ' HIS . 4.2 mm? -94.81 -47.42 6.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.879 0.371 . . . . 0.0 110.964 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 652' ' ' HIS . . . . . 0.51 ' CD2' ' HB3' ' A' ' 651' ' ' LEU . 0.6 OUTLIER -129.45 70.05 81.62 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.574 0.702 . . . . 0.0 110.848 179.846 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 653' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 165.42 30.97 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.672 2.248 . . . . 0.0 112.373 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -117.09 80.14 1.44 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 655' ' ' TYR . . . . . . . . . . . . . 66.8 m-85 -40.51 -37.82 0.76 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.88 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 44.64 38.49 2.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.874 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 657' ' ' PHE . . . . . . . . . . . . . 56.5 t80 -96.2 130.23 43.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 13.6 m -126.78 107.47 10.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.139 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 1.3 t -106.56 137.18 45.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -147.13 145.24 29.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.895 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 661' ' ' TYR . . . . . 0.528 ' CE1' ' CD2' ' A' ' 637' ' ' PHE . 0.6 OUTLIER -149.09 128.36 12.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.932 -179.897 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 662' ' ' LEU . . . . . 0.408 ' CD1' ' C ' ' A' ' 662' ' ' LEU . 2.2 tm? -72.86 99.29 2.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.909 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 663' ' ' VAL . . . . . . . . . . . . . 10.2 m -115.76 131.92 66.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.116 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 664' ' ' HIS . . . . . 0.522 ' CG ' ' O ' ' A' ' 664' ' ' HIS . 5.0 p80 -100.72 107.1 18.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.853 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 665' ' ' VAL . . . . . . . . . . . . . 7.6 p -174.58 136.42 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.158 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 666' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -124.43 -68.76 0.84 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.915 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 667' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -56.74 -57.03 14.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.882 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 22.1 mt -62.75 -17.47 61.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 669' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -70.96 -63.19 1.15 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 670' ' ' LEU . . . . . . . . . . . . . 86.2 mt -54.02 -50.48 66.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.908 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 671' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -51.65 -42.23 61.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.916 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 672' ' ' TYR . . . . . 0.463 ' CD1' ' C ' ' A' ' 672' ' ' TYR . 1.7 t80 -60.31 -47.88 84.14 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.899 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 673' ' ' ILE . . . . . . . . . . . . . 7.5 mm -48.92 -33.03 5.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.147 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 674' ' ' GLN . . . . . . . . . . . . . 20.9 mm100 -90.47 -62.8 1.38 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.923 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 675' ' ' LYS . . . . . . . . . . . . . 39.5 mtpt -38.34 -48.67 1.36 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.917 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 676' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -147.95 145.82 28.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.848 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 677' ' ' THR . . . . . 0.425 HG22 ' CB ' ' A' ' 699' ' ' LYS . 77.0 p -111.79 175.48 5.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.128 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 678' ' ' ILE . . . . . 0.431 ' O ' ' N ' ' A' ' 698' ' ' LEU . 4.8 mp -87.86 133.66 29.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.134 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 63.1 m -109.04 107.4 17.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.155 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 680' ' ' LEU . . . . . . . . . . . . . 7.4 tt -114.31 101.68 9.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.902 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 681' ' ' GLU . . . . . 0.463 ' HG2' ' CB ' ' A' ' 695' ' ' ALA . 7.9 mt-10 -95.97 147.56 23.56 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 682' ' ' VAL . . . . . . . . . . . . . 77.0 t -109.18 106.1 20.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.139 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 683' ' ' HIS . . . . . 0.644 ' NE2' ' CE2' ' A' ' 632' ' ' PHE . 0.3 OUTLIER -104.89 147.3 27.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.86 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 684' ' ' GLN . . . . . 0.455 ' HB3' ' CE1' ' A' ' 686' ' ' TYR . 5.3 tt0 -86.75 123.83 32.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.903 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -95.8 104.93 16.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.115 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 686' ' ' TYR . . . . . 0.455 ' CE1' ' HB3' ' A' ' 684' ' ' GLN . 6.2 m-85 -89.67 164.41 14.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.928 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 687' ' ' SER . . . . . . . . . . . . . 94.3 p -77.74 5.91 8.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.896 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 688' ' ' THR . . . . . . . . . . . . . 2.4 p -131.59 -53.9 1.01 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.135 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 689' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -130.54 178.33 6.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 690' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -141.72 124.89 16.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 691' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -141.71 155.12 45.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.886 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 692' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -90.03 143.25 26.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.125 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 693' ' ' ILE . . . . . 0.41 ' N ' HD12 ' A' ' 693' ' ' ILE . 0.3 OUTLIER -132.86 -1.2 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.163 179.911 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -153.25 151.54 30.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.095 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 695' ' ' ALA . . . . . 0.463 ' CB ' ' HG2' ' A' ' 681' ' ' GLU . . . -160.37 125.86 3.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.08 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 696' ' ' CYS . . . . . . . . . . . . . 8.1 p -132.12 171.46 13.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.913 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 697' ' ' GLN . . . . . . . . . . . . . 11.4 mm100 -112.36 111.46 22.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.935 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 698' ' ' LEU . . . . . 0.431 ' N ' ' O ' ' A' ' 678' ' ' ILE . 9.7 mt -85.23 113.24 21.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.891 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 699' ' ' LYS . . . . . 0.425 ' CB ' HG22 ' A' ' 677' ' ' THR . 7.3 ptpp? -146.2 144.38 29.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 700' ' ' PHE . . . . . 0.471 ' CD1' ' CD1' ' A' ' 733' ' ' PHE . 3.7 m-85 -111.08 124.89 53.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 701' ' ' HIS . . . . . . . . . . . . . 6.5 m80 -88.99 -51.09 5.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.831 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 702' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -50.27 -43.12 53.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.898 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 703' ' ' ILE . . . . . . . . . . . . . 9.9 tt -48.13 -27.06 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.116 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 704' ' ' LEU . . . . . . . . . . . . . 12.8 mt -65.32 -36.07 82.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 705' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -107.26 -59.08 1.87 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.884 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 706' ' ' LYS . . . . . . . . . . . . . 13.0 mttt -87.54 179.47 6.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.903 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 707' ' ' SER . . . . . . . . . . . . . 5.1 m -159.48 115.8 2.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 708' ' ' GLY . . . . . . . . . . . . . . . 143.88 -149.11 21.11 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.526 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 709' ' ' ARG . . . . . . . . . . . . . 26.3 ttt180 -70.71 84.79 0.64 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.814 0.34 . . . . 0.0 110.877 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 710' ' ' ILE . . . . . . . . . . . . . 12.6 mt -107.49 96.65 4.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.149 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 711' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -52.16 133.3 33.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.938 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 712' ' ' CYS . . . . . . . . . . . . . 2.2 t -159.39 166.98 29.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 713' ' ' THR . . . . . . . . . . . . . 16.6 p -145.2 166.81 24.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.168 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 714' ' ' ALA . . . . . 0.468 ' HB3' ' CG1' ' A' ' 729' ' ' VAL . . . -137.98 145.74 42.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.094 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 715' ' ' SER . . . . . . . . . . . . . 77.9 p -93.87 154.59 17.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.88 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 716' ' ' LEU . . . . . . . . . . . . . 17.1 mt -119.85 135.15 54.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 717' ' ' ILE . . . . . . . . . . . . . 3.8 mp -122.45 140.85 45.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.165 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 718' ' ' GLY . . . . . . . . . . . . . . . -75.94 134.88 16.81 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.471 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 719' ' ' THR . . . . . . . . . . . . . 77.7 p -68.88 -58.56 3.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.807 0.337 . . . . 0.0 111.122 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 720' ' ' LYS . . . . . 0.416 ' O ' ' CG ' ' A' ' 722' ' ' ASP . 2.2 mtmp? -88.89 -65.72 0.99 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.94 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 721' ' ' GLY . . . . . . . . . . . . . . . -45.93 -23.69 1.13 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.507 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 722' ' ' ASP . . . . . 0.416 ' CG ' ' O ' ' A' ' 720' ' ' LYS . 18.1 m-20 58.22 47.31 14.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.79 0.329 . . . . 0.0 110.87 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 723' ' ' ILE . . . . . . . . . . . . . 56.9 mt -98.0 106.83 37.1 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.65 0.738 . . . . 0.0 111.086 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 724' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 -16.23 37.36 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.709 2.273 . . . . 0.0 112.34 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 725' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -112.67 44.31 1.5 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.861 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 726' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -62.11 -52.58 63.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.869 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 727' ' ' GLY . . . . . . . . . . . . . . . 167.33 167.78 28.52 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.46 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 728' ' ' THR . . . . . . . . . . . . . 3.6 m -114.64 146.4 40.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.852 0.358 . . . . 0.0 111.155 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 729' ' ' VAL . . . . . 0.468 ' CG1' ' HB3' ' A' ' 714' ' ' ALA . 14.5 p -106.43 137.37 37.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.154 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -107.16 108.19 19.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 731' ' ' TYR . . . . . 0.422 ' CD1' ' C ' ' A' ' 731' ' ' TYR . 7.3 p90 -144.08 170.15 16.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.95 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 732' ' ' TRP . . . . . 0.422 ' CE2' ' HB3' ' A' ' 610' ' ' HIS . 64.5 p-90 -152.38 139.55 19.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.893 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 733' ' ' PHE . . . . . 0.471 ' CD1' ' CD1' ' A' ' 700' ' ' PHE . 10.3 p90 -113.38 161.99 16.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.909 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 734' ' ' ARG . . . . . 0.418 ' C ' ' HD3' ' A' ' 734' ' ' ARG . 0.0 OUTLIER -155.39 136.06 13.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 -179.916 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 735' ' ' LEU . . . . . . . . . . . . . 35.2 tp -138.59 105.25 5.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.938 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 736' ' ' ARG . . . . . . . . . . . . . 40.7 ttt85 -145.8 166.15 26.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 737' ' ' VAL . . . . . . . . . . . . . 7.1 p -65.06 108.28 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.151 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 738' ' ' SER . . . . . . . . . . . . . 3.2 t . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.82 -179.803 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 604' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.872 0.368 . . . . 0.0 110.886 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 605' ' ' ASN . . . . . . . . . . . . . 62.7 m-20 -126.71 155.72 42.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 606' ' ' LEU . . . . . . . . . . . . . 7.9 tp -128.96 107.67 9.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.922 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 607' ' ' PHE . . . . . 0.484 ' CD2' ' CZ ' ' A' ' 637' ' ' PHE . 18.4 t80 -87.87 105.94 17.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.865 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 608' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -96.61 118.01 32.19 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.903 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 609' ' ' ILE . . . . . . . . . . . . . 63.1 mt -112.29 109.72 29.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.127 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 610' ' ' HIS . . . . . 0.536 ' CE1' ' HA ' ' A' ' 656' ' ' ASN . 1.0 OUTLIER -120.29 129.89 54.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 179.855 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 25.7 mm -89.74 127.56 42.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.151 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 612' ' ' ASN . . . . . . . . . . . . . 53.2 m-20 -78.88 -66.06 0.91 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.926 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 613' ' ' LYS . . . . . . . . . . . . . 5.8 ptmt -161.06 178.9 8.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.913 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 614' ' ' VAL . . . . . . . . . . . . . 68.8 t -133.11 123.58 48.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.156 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 615' ' ' THR . . . . . . . . . . . . . 25.1 m -97.98 157.25 16.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.073 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 616' ' ' PHE . . . . . 0.493 ' CD1' HG13 ' A' ' 620' ' ' VAL . 63.7 m-85 -133.03 161.3 34.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 617' ' ' SER . . . . . 0.429 ' O ' ' C ' ' A' ' 618' ' ' SER . 1.1 t -108.14 153.92 22.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.856 -179.808 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 618' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 617' ' ' SER . 28.9 m -34.39 -62.24 0.35 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.833 -179.811 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 619' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -38.81 -44.89 1.08 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.834 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 620' ' ' VAL . . . . . 0.493 HG13 ' CD1' ' A' ' 616' ' ' PHE . 7.1 t -76.69 -42.77 34.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.141 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 621' ' ' LEU . . . . . . . . . . . . . 36.2 mt -54.31 -50.15 68.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.922 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 622' ' ' GLN . . . . . . . . . . . . . 48.2 mm-40 -70.19 -42.52 72.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.902 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -44.01 -45.67 7.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.101 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 71.4 m -57.19 -58.4 8.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.846 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 625' ' ' GLY . . . . . . . . . . . . . . . 104.93 -145.17 15.88 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.467 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 626' ' ' ASP . . . . . . . . . . . . . 39.3 t0 -91.08 41.55 1.07 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.885 0.374 . . . . 0.0 110.883 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 46.4 pttt -145.28 135.07 23.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.863 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 90.6 mt-10 -63.05 119.92 56.58 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.631 0.729 . . . . 0.0 110.826 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 629' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 126.08 12.88 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.655 2.236 . . . . 0.0 112.355 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 630' ' ' VAL . . . . . 0.474 HG12 ' CG2' ' A' ' 647' ' ' VAL . 23.6 t -117.39 111.64 35.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.101 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 631' ' ' THR . . . . . . . . . . . . . 53.0 p -142.16 164.44 30.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.151 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 632' ' ' PHE . . . . . . . . . . . . . 17.4 p90 -133.36 167.6 20.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.868 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 633' ' ' CYS . . . . . . . . . . . . . 77.8 m -115.46 130.23 56.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.905 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 634' ' ' THR . . . . . . . . . . . . . 11.4 p -123.12 136.82 54.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.102 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 635' ' ' TYR . . . . . 0.465 ' CD2' HD11 ' A' ' 680' ' ' LEU . 6.5 p90 -169.57 147.82 3.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 636' ' ' ALA . . . . . . . . . . . . . . . -105.36 160.15 15.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.077 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 637' ' ' PHE . . . . . 0.484 ' CZ ' ' CD2' ' A' ' 607' ' ' PHE . 4.2 t80 -105.8 156.45 18.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.842 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 638' ' ' TYR . . . . . 0.59 ' O ' ' CD2' ' A' ' 640' ' ' PHE . 3.3 t80 -34.4 100.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.952 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 639' ' ' ASP . . . . . 0.403 ' OD2' ' CE1' ' A' ' 638' ' ' TYR . 2.5 m-20 60.28 54.77 3.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.858 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 640' ' ' PHE . . . . . 0.59 ' CD2' ' O ' ' A' ' 638' ' ' TYR . 80.7 m-85 -144.53 149.65 36.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.856 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.6 149.57 48.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 642' ' ' LEU . . . . . . . . . . . . . 2.5 tp -59.17 136.59 58.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.909 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 643' ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 -116.76 125.76 52.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 644' ' ' THR . . . . . . . . . . . . . 61.0 m -85.25 134.57 34.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.155 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 645' ' ' THR . . . . . . . . . . . . . 37.3 p -91.93 153.57 43.5 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.586 0.708 . . . . 0.0 111.145 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 646' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 108.7 2.15 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.651 2.234 . . . . 0.0 112.333 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 647' ' ' VAL . . . . . 0.474 ' CG2' HG12 ' A' ' 630' ' ' VAL . 10.9 p -68.81 150.66 10.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.165 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 98.7 t -142.16 142.41 27.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.119 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 649' ' ' ARG . . . . . . . . . . . . . 60.2 mtt180 -84.98 129.3 34.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 650' ' ' GLY . . . . . . . . . . . . . . . 138.9 162.08 9.0 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.465 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 651' ' ' LEU . . . . . 0.45 ' HB3' ' CD2' ' A' ' 652' ' ' HIS . 4.2 mm? -68.06 -67.1 0.49 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.842 0.353 . . . . 0.0 110.918 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 652' ' ' HIS . . . . . 0.45 ' CD2' ' HB3' ' A' ' 651' ' ' LEU . 10.4 m-70 -113.46 64.97 1.08 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.598 0.714 . . . . 0.0 110.824 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 653' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 178.06 4.95 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.691 2.261 . . . . 0.0 112.317 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -120.58 108.91 14.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.901 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 655' ' ' TYR . . . . . . . . . . . . . 47.3 m-85 -75.57 -48.49 22.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.952 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 656' ' ' ASN . . . . . 0.536 ' HA ' ' CE1' ' A' ' 610' ' ' HIS . 1.2 p-10 41.95 38.61 1.08 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.889 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 657' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -90.34 135.85 33.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 21.6 m -109.62 136.66 48.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.169 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 90.4 p -150.89 114.21 4.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.871 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 660' ' ' GLN . . . . . 0.507 ' C ' ' CD ' ' A' ' 660' ' ' GLN . 3.2 pp0? -137.6 164.74 28.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.907 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 661' ' ' TYR . . . . . . . . . . . . . 92.3 m-85 -154.96 150.97 27.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.91 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 662' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -73.11 107.62 5.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.94 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 663' ' ' VAL . . . . . . . . . . . . . 16.2 m -125.24 116.09 45.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.126 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 664' ' ' HIS . . . . . . . . . . . . . 6.2 t-80 -103.02 104.74 14.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.877 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 665' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -165.88 144.13 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.151 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 666' ' ' ASN . . . . . . . . . . . . . 10.6 t30 -113.39 -67.4 1.0 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.845 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 667' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -75.57 -56.0 5.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.833 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -50.77 -28.76 9.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.876 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 669' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -59.85 -66.83 0.45 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 670' ' ' LEU . . . . . . . . . . . . . 51.1 mt -61.63 -47.08 87.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.919 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 671' ' ' GLN . . . . . . . . . . . . . 63.2 mt-30 -47.95 -48.91 31.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.921 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 672' ' ' TYR . . . . . 0.41 ' CD1' ' C ' ' A' ' 672' ' ' TYR . 0.5 OUTLIER -58.82 -29.62 67.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 -179.87 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 673' ' ' ILE . . . . . . . . . . . . . 63.5 mt -77.1 -56.5 7.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.118 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 674' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -61.69 -34.61 76.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 675' ' ' LYS . . . . . . . . . . . . . 28.7 mtpp -78.11 -67.01 0.77 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.854 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 676' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -109.17 164.31 12.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.894 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 25.1 p -129.79 172.31 11.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.125 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 678' ' ' ILE . . . . . . . . . . . . . 5.2 mp -91.17 139.65 17.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.139 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 22.6 m -111.26 94.29 4.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.183 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 680' ' ' LEU . . . . . 0.465 HD11 ' CD2' ' A' ' 635' ' ' TYR . 6.7 tt -102.9 106.19 16.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 681' ' ' GLU . . . . . 0.493 ' OE1' ' N ' ' A' ' 696' ' ' CYS . 2.1 mm-40 -98.19 148.01 24.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 682' ' ' VAL . . . . . . . . . . . . . 87.1 t -115.01 104.76 17.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.128 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 683' ' ' HIS . . . . . 0.603 ' N ' ' CD2' ' A' ' 683' ' ' HIS . 0.2 OUTLIER -94.85 149.81 20.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 179.926 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 684' ' ' GLN . . . . . 0.434 ' HB3' ' CZ ' ' A' ' 686' ' ' TYR . 4.6 tt0 -90.27 129.56 36.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.895 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -87.8 103.91 16.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.109 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 686' ' ' TYR . . . . . 0.434 ' CZ ' ' HB3' ' A' ' 684' ' ' GLN . 30.6 m-85 -91.92 167.35 12.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 687' ' ' SER . . . . . . . . . . . . . 2.7 m -53.93 -58.41 7.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.891 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 688' ' ' THR . . . . . . . . . . . . . 77.3 p -130.22 29.53 4.88 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.123 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 689' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -141.84 160.12 40.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.917 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 690' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -151.03 116.26 5.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.952 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 691' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -149.48 155.17 39.95 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.871 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 692' ' ' THR . . . . . . . . . . . . . 36.6 m -90.41 114.48 26.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.157 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 693' ' ' ILE . . . . . . . . . . . . . 14.6 pt -94.12 -28.11 4.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.118 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -134.75 155.02 51.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.106 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 695' ' ' ALA . . . . . 0.416 ' HB2' ' CD ' ' A' ' 681' ' ' GLU . . . -157.28 126.55 5.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.129 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 696' ' ' CYS . . . . . 0.493 ' N ' ' OE1' ' A' ' 681' ' ' GLU . 31.3 p -139.79 -177.38 4.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.853 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 697' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -136.06 125.66 25.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.929 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 698' ' ' LEU . . . . . 0.447 HD11 ' CD1' ' A' ' 680' ' ' LEU . 46.7 mt -84.18 128.87 34.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 699' ' ' LYS . . . . . . . . . . . . . 8.9 ptpt -148.08 138.07 22.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 700' ' ' PHE . . . . . 0.479 ' CD1' ' N ' ' A' ' 700' ' ' PHE . 0.2 OUTLIER -110.2 125.35 52.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.849 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 701' ' ' HIS . . . . . . . . . . . . . 36.0 m-70 -90.57 -57.74 2.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.853 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 702' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -50.81 -35.02 30.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.903 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 703' ' ' ILE . . . . . 0.406 HG23 ' O ' ' A' ' 700' ' ' PHE . 10.1 tt -47.32 -19.09 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.155 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 704' ' ' LEU . . . . . 0.465 HD23 ' N ' ' A' ' 704' ' ' LEU . 2.5 mm? -79.13 -47.92 15.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 705' ' ' GLU . . . . . 0.464 ' HG3' ' N ' ' A' ' 706' ' ' LYS . 22.6 pt-20 -80.07 -47.0 15.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 706' ' ' LYS . . . . . 0.464 ' N ' ' HG3' ' A' ' 705' ' ' GLU . 6.6 ptpt -119.63 153.94 34.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 707' ' ' SER . . . . . . . . . . . . . 67.7 m -134.09 94.68 3.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.851 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 708' ' ' GLY . . . . . . . . . . . . . . . 160.28 -136.74 4.67 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.491 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 709' ' ' ARG . . . . . . . . . . . . . 16.9 mtm180 -55.88 91.03 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.796 0.331 . . . . 0.0 110.884 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 710' ' ' ILE . . . . . 0.441 ' CD1' ' HG3' ' A' ' 706' ' ' LYS . 7.6 mt -137.58 139.51 43.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.118 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 711' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 -105.04 149.76 25.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.908 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 712' ' ' CYS . . . . . . . . . . . . . 16.7 m -159.49 169.66 23.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.87 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 713' ' ' THR . . . . . . . . . . . . . 12.6 p -148.63 163.91 35.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.148 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 714' ' ' ALA . . . . . 0.469 ' HB3' ' CG1' ' A' ' 729' ' ' VAL . . . -141.52 141.19 33.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.08 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 715' ' ' SER . . . . . . . . . . . . . 23.5 p -91.72 148.79 21.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 716' ' ' LEU . . . . . . . . . . . . . 21.1 mt -110.42 141.05 44.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.925 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 717' ' ' ILE . . . . . . . . . . . . . 5.1 mp -124.21 145.57 31.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.166 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 718' ' ' GLY . . . . . . . . . . . . . . . -83.51 129.1 8.91 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.515 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 719' ' ' THR . . . . . . . . . . . . . 46.7 p -59.24 -61.85 2.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.863 0.363 . . . . 0.0 111.111 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 720' ' ' LYS . . . . . . . . . . . . . 28.5 mttm -86.6 -56.5 3.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.919 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 721' ' ' GLY . . . . . . . . . . . . . . . -48.98 -19.59 1.53 Allowed Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.491 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 722' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 53.67 37.32 25.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.86 0.362 . . . . 0.0 110.919 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 723' ' ' ILE . . . . . . . . . . . . . 44.3 mt -93.16 113.68 60.64 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.633 0.73 . . . . 0.0 111.117 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 724' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -29.88 23.26 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.742 2.295 . . . . 0.0 112.317 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 725' ' ' ASN . . . . . . . . . . . . . 20.7 m-20 -99.59 38.29 1.46 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.894 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 726' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -46.74 -49.8 19.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.893 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 727' ' ' GLY . . . . . . . . . . . . . . . 176.37 -144.95 7.23 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.511 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 728' ' ' THR . . . . . . . . . . . . . 48.4 m -160.91 151.72 18.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.832 0.348 . . . . 0.0 111.147 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 729' ' ' VAL . . . . . 0.469 ' CG1' ' HB3' ' A' ' 714' ' ' ALA . 12.3 p -119.2 125.33 74.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.148 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -103.62 121.72 43.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.883 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 731' ' ' TYR . . . . . . . . . . . . . 51.1 p90 -157.03 164.65 37.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.881 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 732' ' ' TRP . . . . . . . . . . . . . 42.0 p-90 -126.3 158.15 36.54 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.958 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 733' ' ' PHE . . . . . 0.455 ' CD1' ' N ' ' A' ' 733' ' ' PHE . 1.1 p90 -146.97 127.55 14.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.897 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 734' ' ' ARG . . . . . . . . . . . . . 20.5 ttp180 -136.19 112.86 10.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.913 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 735' ' ' LEU . . . . . . . . . . . . . 12.8 tp -101.43 111.41 23.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.947 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 736' ' ' ARG . . . . . . . . . . . . . 50.2 mtt180 -145.04 161.15 40.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.837 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 737' ' ' VAL . . . . . 0.401 HG22 ' N ' ' A' ' 738' ' ' SER . 14.6 p -52.43 145.68 2.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.151 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 738' ' ' SER . . . . . 0.401 ' N ' HG22 ' A' ' 737' ' ' VAL . 35.9 t . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.912 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 604' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.867 0.365 . . . . 0.0 110.854 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 605' ' ' ASN . . . . . . . . . . . . . 7.7 m-80 -129.34 128.51 43.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.851 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 606' ' ' LEU . . . . . . . . . . . . . 18.2 tp -110.84 115.36 29.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.931 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 607' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -106.13 103.69 13.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 608' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -107.35 126.41 52.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 609' ' ' ILE . . . . . . . . . . . . . 20.8 mt -116.21 120.04 63.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.124 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 610' ' ' HIS . . . . . 0.55 ' CE1' ' HA ' ' A' ' 656' ' ' ASN . 1.8 t60 -121.82 131.04 53.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.842 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 30.9 mm -101.98 111.39 31.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.101 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 612' ' ' ASN . . . . . . . . . . . . . 15.3 t-20 -66.09 -67.14 0.47 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.949 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 613' ' ' LYS . . . . . . . . . . . . . 21.1 pttt -170.23 170.95 7.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.893 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 614' ' ' VAL . . . . . . . . . . . . . 14.6 t -113.6 134.65 55.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.138 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 615' ' ' THR . . . . . . . . . . . . . 8.6 m -102.3 125.52 49.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.177 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 616' ' ' PHE . . . . . 0.56 ' CD2' HG23 ' A' ' 620' ' ' VAL . 3.8 m-30 -99.03 139.43 34.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 1.2 t -90.36 153.46 20.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.869 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 618' ' ' SER . . . . . . . . . . . . . 36.8 p -38.15 -38.93 0.37 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.863 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 619' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -41.64 -66.86 0.3 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.886 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 620' ' ' VAL . . . . . 0.56 HG23 ' CD2' ' A' ' 616' ' ' PHE . 22.0 m -64.13 -38.92 83.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.15 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 621' ' ' LEU . . . . . 0.41 ' N ' HG22 ' A' ' 620' ' ' VAL . 18.5 mt -49.3 -46.52 46.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.941 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 622' ' ' GLN . . . . . . . . . . . . . 70.3 mt-30 -73.03 -63.94 1.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.919 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -43.32 -37.44 2.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.127 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 1.2 t -78.74 -62.68 1.62 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.868 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 625' ' ' GLY . . . . . . . . . . . . . . . 110.02 -155.33 16.15 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.501 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 626' ' ' ASP . . . . . 0.41 ' CG ' ' O ' ' A' ' 626' ' ' ASP . 20.6 t0 -86.81 44.72 1.19 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.93 0.395 . . . . 0.0 110.882 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 15.1 ptmt -119.17 161.83 19.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -113.58 89.11 14.67 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.61 0.719 . . . . 0.0 110.938 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 629' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 124.6 11.27 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.647 2.231 . . . . 0.0 112.341 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 630' ' ' VAL . . . . . 0.45 HG22 ' CB ' ' A' ' 649' ' ' ARG . 4.5 t -90.26 124.07 42.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.14 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 631' ' ' THR . . . . . 0.415 HG21 ' CB ' ' A' ' 684' ' ' GLN . 11.0 p -136.41 160.18 39.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.173 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 632' ' ' PHE . . . . . . . . . . . . . 49.1 p90 -140.04 142.04 36.23 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 633' ' ' CYS . . . . . . . . . . . . . 88.6 m -93.92 148.68 21.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 634' ' ' THR . . . . . . . . . . . . . 12.9 p -147.53 131.22 16.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.144 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 635' ' ' TYR . . . . . . . . . . . . . 16.7 p90 -170.46 173.46 5.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.961 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 636' ' ' ALA . . . . . . . . . . . . . . . -134.07 155.88 49.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.12 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 637' ' ' PHE . . . . . 0.484 ' CZ ' ' HB2' ' A' ' 638' ' ' TYR . 3.4 t80 -120.14 150.24 40.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.885 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 638' ' ' TYR . . . . . 0.484 ' HB2' ' CZ ' ' A' ' 637' ' ' PHE . 12.9 t80 36.49 38.37 0.07 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 639' ' ' ASP . . . . . . . . . . . . . 55.4 m-20 54.0 47.14 24.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.87 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 640' ' ' PHE . . . . . 0.427 ' N ' ' O ' ' A' ' 637' ' ' PHE . 11.1 m-85 -104.67 179.82 4.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -49.92 128.02 17.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.863 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 642' ' ' LEU . . . . . 0.422 ' CD1' ' C ' ' A' ' 642' ' ' LEU . 1.2 tm? -54.14 112.42 0.97 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.924 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 643' ' ' GLN . . . . . . . . . . . . . 17.6 mm-40 -85.5 117.34 24.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 644' ' ' THR . . . . . . . . . . . . . 53.2 m -102.46 133.32 47.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.153 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 645' ' ' THR . . . . . . . . . . . . . 18.9 p -91.68 154.77 44.02 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.598 0.713 . . . . 0.0 111.116 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 646' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 141.42 45.51 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.715 2.277 . . . . 0.0 112.328 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 647' ' ' VAL . . . . . 0.444 ' CG1' HG11 ' A' ' 630' ' ' VAL . 43.5 t -68.84 131.27 33.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.145 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 648' ' ' VAL . . . . . 0.409 HG23 ' C ' ' A' ' 647' ' ' VAL . 21.5 t -140.31 132.58 32.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.147 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 649' ' ' ARG . . . . . 0.45 ' CB ' HG22 ' A' ' 630' ' ' VAL . 8.7 ptm180 -89.31 143.51 26.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 650' ' ' GLY . . . . . . . . . . . . . . . 125.56 155.0 8.88 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.498 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 651' ' ' LEU . . . . . 0.423 ' C ' ' HD3' ' A' ' 653' ' ' PRO . 6.3 mp -71.22 -46.46 61.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.846 0.355 . . . . 0.0 110.889 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 652' ' ' HIS . . . . . . . . . . . . . 15.1 m-70 -110.15 67.55 0.48 Allowed Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.567 0.698 . . . . 0.0 110.862 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 653' ' ' PRO . . . . . 0.423 ' HD3' ' C ' ' A' ' 651' ' ' LEU . 53.5 Cg_endo -69.7 124.03 10.7 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.722 2.281 . . . . 0.0 112.333 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -87.22 83.92 7.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.898 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 655' ' ' TYR . . . . . . . . . . . . . 86.1 m-85 -57.9 -53.95 52.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.958 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 656' ' ' ASN . . . . . 0.55 ' HA ' ' CE1' ' A' ' 610' ' ' HIS . 14.2 m120 46.89 43.49 13.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.853 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 657' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -99.95 108.08 20.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.859 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 19.4 m -90.38 142.83 27.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.15 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 8.0 t -131.47 145.68 51.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -131.31 130.92 43.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.865 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 661' ' ' TYR . . . . . . . . . . . . . 31.3 m-85 -151.37 122.0 7.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 662' ' ' LEU . . . . . 0.416 ' C ' HD11 ' A' ' 662' ' ' LEU . 1.1 tm? -74.75 116.13 15.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.916 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 663' ' ' VAL . . . . . . . . . . . . . 1.2 m -123.89 117.42 50.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.151 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 664' ' ' HIS . . . . . . . . . . . . . 11.0 p-80 -94.84 103.6 15.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.884 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 665' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -142.38 166.05 16.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.16 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 666' ' ' ASN . . . . . 0.44 ' O ' ' C ' ' A' ' 667' ' ' ASP . 2.0 m-80 -109.97 -174.97 2.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 667' ' ' ASP . . . . . 0.44 ' C ' ' O ' ' A' ' 666' ' ' ASN . 1.3 m-20 -34.02 -40.28 0.08 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.852 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 668' ' ' LEU . . . . . 0.43 ' O ' ' N ' ' A' ' 671' ' ' GLN . 4.6 mm? -36.59 -52.85 0.88 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 669' ' ' PHE . . . . . 0.41 ' C ' ' O ' ' A' ' 668' ' ' LEU . 10.7 t80 -36.14 -48.2 0.6 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.858 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 670' ' ' LEU . . . . . . . . . . . . . 44.8 mt -59.02 -45.87 89.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 671' ' ' GLN . . . . . 0.43 ' N ' ' O ' ' A' ' 668' ' ' LEU . 15.4 mt-30 -58.4 -40.24 81.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.879 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 672' ' ' TYR . . . . . 0.459 ' CD1' ' C ' ' A' ' 672' ' ' TYR . 0.3 OUTLIER -55.82 -44.55 77.99 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.911 -179.824 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 673' ' ' ILE . . . . . 0.425 HD13 ' CG2' ' A' ' 703' ' ' ILE . 85.6 mt -56.66 -29.12 28.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.134 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 674' ' ' GLN . . . . . 0.42 ' HG2' ' CD2' ' A' ' 704' ' ' LEU . 5.4 mm-40 -77.22 -61.39 2.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.945 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 675' ' ' LYS . . . . . . . . . . . . . 17.3 mtpp -63.12 -58.44 7.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.911 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 676' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -103.53 158.68 16.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.858 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 677' ' ' THR . . . . . 0.414 HG23 ' CB ' ' A' ' 699' ' ' LYS . 20.2 p -139.37 171.63 13.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.118 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 678' ' ' ILE . . . . . 0.427 ' O ' ' N ' ' A' ' 698' ' ' LEU . 15.4 mt -87.46 124.66 40.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.178 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 28.5 m -101.93 101.22 11.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.126 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 680' ' ' LEU . . . . . 0.445 ' CD2' ' O ' ' A' ' 680' ' ' LEU . 3.2 tt -113.83 105.28 13.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 681' ' ' GLU . . . . . . . . . . . . . 28.0 mp0 -94.24 145.2 24.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.869 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 682' ' ' VAL . . . . . . . . . . . . . 71.3 t -98.35 98.79 7.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.129 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 683' ' ' HIS . . . . . 0.429 ' CD2' ' N ' ' A' ' 683' ' ' HIS . 4.2 m170 -87.74 124.26 33.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 684' ' ' GLN . . . . . 0.415 ' CB ' HG21 ' A' ' 631' ' ' THR . 43.7 tt0 -91.03 148.31 22.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.945 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -123.13 128.18 49.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.11 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 686' ' ' TYR . . . . . 0.433 ' CD2' ' O ' ' A' ' 689' ' ' GLU . 0.6 OUTLIER -94.65 168.44 10.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 -179.833 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 687' ' ' SER . . . . . . . . . . . . . 89.0 p -59.41 -10.73 3.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.858 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 688' ' ' THR . . . . . . . . . . . . . 24.6 p -114.31 -74.23 0.63 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.193 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 689' ' ' GLU . . . . . 0.433 ' O ' ' CD2' ' A' ' 686' ' ' TYR . 3.9 pt-20 -119.74 -178.93 3.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.918 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 690' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -135.22 139.61 44.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.928 -179.854 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 691' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -149.69 155.22 39.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 692' ' ' THR . . . . . . . . . . . . . 19.2 m -67.11 134.37 51.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.157 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 693' ' ' ILE . . . . . . . . . . . . . 5.9 pt -126.33 -25.48 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.133 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -139.01 155.03 48.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.124 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 695' ' ' ALA . . . . . . . . . . . . . . . -152.63 125.71 8.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.095 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 696' ' ' CYS . . . . . . . . . . . . . 14.6 p -144.65 171.24 14.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 697' ' ' GLN . . . . . 0.503 ' N ' ' CD ' ' A' ' 697' ' ' GLN . 0.0 OUTLIER -128.18 128.26 44.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 -179.88 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 698' ' ' LEU . . . . . 0.427 ' N ' ' O ' ' A' ' 678' ' ' ILE . 35.8 mt -90.74 119.25 30.81 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.9 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 699' ' ' LYS . . . . . 0.414 ' CB ' HG23 ' A' ' 677' ' ' THR . 9.3 ptpt -134.76 133.07 39.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.943 179.792 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 700' ' ' PHE . . . . . 0.785 ' CD1' ' CD1' ' A' ' 733' ' ' PHE . 2.9 m-85 -99.17 125.92 44.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 701' ' ' HIS . . . . . . . . . . . . . 6.9 m80 -88.32 -52.76 5.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.827 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 702' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -50.4 -38.75 44.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 703' ' ' ILE . . . . . 0.512 ' HB ' ' CE2' ' A' ' 733' ' ' PHE . 8.5 tt -47.95 -18.92 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.146 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 704' ' ' LEU . . . . . 0.42 ' CD2' ' HG2' ' A' ' 674' ' ' GLN . 13.7 mt -71.09 -42.08 69.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 705' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -104.45 -48.25 3.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 706' ' ' LYS . . . . . . . . . . . . . 58.3 mttp -83.49 173.57 11.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 707' ' ' SER . . . . . . . . . . . . . 20.2 m -157.89 108.14 2.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.868 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 708' ' ' GLY . . . . . . . . . . . . . . . 140.96 -149.9 21.36 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.521 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 709' ' ' ARG . . . . . . . . . . . . . 21.2 mtp180 -63.74 98.05 0.18 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.778 0.323 . . . . 0.0 110.85 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 710' ' ' ILE . . . . . 0.462 ' HB ' ' CZ ' ' A' ' 733' ' ' PHE . 30.6 mt -124.63 111.5 28.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.108 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 711' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -75.43 134.06 40.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 712' ' ' CYS . . . . . . . . . . . . . 86.5 m -150.38 178.51 8.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.875 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 713' ' ' THR . . . . . . . . . . . . . 34.1 p -150.72 169.31 21.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.128 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 714' ' ' ALA . . . . . . . . . . . . . . . -141.65 155.5 45.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.114 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 715' ' ' SER . . . . . . . . . . . . . 78.0 p -92.43 152.4 19.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 716' ' ' LEU . . . . . . . . . . . . . 14.0 mt -116.24 143.85 44.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.956 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 717' ' ' ILE . . . . . . . . . . . . . 4.5 mp -134.83 143.57 37.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.1 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 718' ' ' GLY . . . . . . . . . . . . . . . -82.41 147.74 25.9 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.493 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 719' ' ' THR . . . . . . . . . . . . . 44.3 p -78.92 -47.31 16.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.8 0.334 . . . . 0.0 111.106 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 720' ' ' LYS . . . . . . . . . . . . . 19.8 mttm -93.86 -55.76 3.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.902 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 721' ' ' GLY . . . . . . . . . . . . . . . -64.6 -7.84 29.73 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.491 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 722' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 40.38 41.11 0.97 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.778 0.323 . . . . 0.0 110.847 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 723' ' ' ILE . . . . . . . . . . . . . 81.6 mt -87.63 113.11 52.81 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.609 0.718 . . . . 0.0 111.158 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 724' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 -45.29 1.64 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.703 2.269 . . . . 0.0 112.294 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 725' ' ' ASN . . . . . . . . . . . . . 43.2 m-20 -83.64 43.11 0.88 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.846 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 726' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -62.19 -44.52 96.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.868 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 727' ' ' GLY . . . . . . . . . . . . . . . 159.63 176.27 31.51 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.483 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 728' ' ' THR . . . . . . . . . . . . . 2.4 m -122.99 145.56 48.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.842 0.353 . . . . 0.0 111.135 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 729' ' ' VAL . . . . . . . . . . . . . 11.6 p -104.25 147.39 10.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.132 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -113.74 133.03 55.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.929 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 731' ' ' TYR . . . . . . . . . . . . . 31.1 p90 -164.88 174.16 10.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.935 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 732' ' ' TRP . . . . . 0.481 ' HE1' ' CD2' ' A' ' 610' ' ' HIS . 69.6 p-90 -151.29 121.52 7.26 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.909 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 733' ' ' PHE . . . . . 0.785 ' CD1' ' CD1' ' A' ' 700' ' ' PHE . 25.7 p90 -102.49 145.07 30.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.857 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 734' ' ' ARG . . . . . . . . . . . . . 7.3 tmm_? -137.38 115.25 11.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.884 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 735' ' ' LEU . . . . . . . . . . . . . 46.4 tp -117.14 106.96 13.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.943 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 736' ' ' ARG . . . . . 0.461 ' HD2' ' N ' ' A' ' 737' ' ' VAL . 2.2 tmm_? -149.38 146.33 27.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 737' ' ' VAL . . . . . 0.461 ' N ' ' HD2' ' A' ' 736' ' ' ARG . 11.8 p -52.15 133.05 14.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.117 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 738' ' ' SER . . . . . . . . . . . . . 2.6 p . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.814 -179.849 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 604' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.458 -0.068 0 CA-C-O 120.853 0.358 . . . . 0.0 110.882 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 605' ' ' ASN . . . . . . . . . . . . . 26.0 m120 -117.78 148.45 42.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.901 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 606' ' ' LEU . . . . . . . . . . . . . 26.4 tp -118.16 126.03 51.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 607' ' ' PHE . . . . . 0.437 ' CD2' ' HB2' ' A' ' 735' ' ' LEU . 0.5 OUTLIER -122.87 119.76 31.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.839 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 608' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -129.68 127.69 41.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.913 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 609' ' ' ILE . . . . . . . . . . . . . 57.1 mt -117.01 122.29 69.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.147 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 610' ' ' HIS . . . . . 0.429 ' ND1' ' N ' ' A' ' 611' ' ' ILE . 1.1 t60 -114.63 147.63 39.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 179.846 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 611' ' ' ILE . . . . . 0.429 ' N ' ' ND1' ' A' ' 610' ' ' HIS . 12.4 mm -114.29 105.2 18.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.126 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 612' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 -59.84 -67.64 0.36 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 613' ' ' LYS . . . . . . . . . . . . . 36.0 pttt -166.51 170.99 12.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 614' ' ' VAL . . . . . . . . . . . . . 9.4 p -119.69 127.36 75.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.144 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 615' ' ' THR . . . . . . . . . . . . . 89.7 m -105.2 143.83 32.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.163 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 616' ' ' PHE . . . . . 0.516 ' CD1' HG11 ' A' ' 620' ' ' VAL . 87.6 m-85 -117.06 165.35 13.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.842 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -101.28 165.27 11.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.874 -179.84 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 618' ' ' SER . . . . . . . . . . . . . 52.1 m -44.51 -62.96 1.0 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.865 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 619' ' ' GLU . . . . . 0.422 ' CD ' HG23 ' A' ' 723' ' ' ILE . 1.6 pp20? -38.3 -52.63 1.51 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.911 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 620' ' ' VAL . . . . . 0.516 HG11 ' CD1' ' A' ' 616' ' ' PHE . 4.1 t -58.86 -51.16 75.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.112 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 621' ' ' LEU . . . . . . . . . . . . . 24.5 mt -54.22 -67.42 0.26 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 622' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -52.62 -41.51 63.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.891 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -50.54 -23.44 2.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.139 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 25.1 p -93.73 -39.46 10.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 625' ' ' GLY . . . . . . . . . . . . . . . 111.48 -149.47 18.0 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.483 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 626' ' ' ASP . . . . . . . . . . . . . 49.6 m-20 -91.88 44.97 1.19 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.841 0.353 . . . . 0.0 110.867 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 9.3 ptpp? -142.11 -176.44 4.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.922 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 628' ' ' GLU . . . . . 0.407 ' O ' ' CG ' ' A' ' 628' ' ' GLU . 4.6 pt-20 -128.6 104.12 19.37 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.624 0.726 . . . . 0.0 110.9 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 629' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 142.63 48.61 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.683 2.255 . . . . 0.0 112.398 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 630' ' ' VAL . . . . . . . . . . . . . 21.4 t -94.86 130.23 43.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.081 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 631' ' ' THR . . . . . . . . . . . . . 1.2 p -150.05 162.07 41.12 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.079 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 632' ' ' PHE . . . . . 0.635 ' CZ ' ' NE2' ' A' ' 683' ' ' HIS . 2.2 p90 -146.34 158.27 43.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 633' ' ' CYS . . . . . . . . . . . . . 1.8 m -90.58 155.46 18.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 634' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -149.42 123.97 9.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.096 -179.832 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 635' ' ' TYR . . . . . 0.436 ' CD1' HD13 ' A' ' 680' ' ' LEU . 48.3 p90 -168.85 154.96 6.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.943 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 636' ' ' ALA . . . . . . . . . . . . . . . -102.81 154.93 18.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.069 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 637' ' ' PHE . . . . . 0.488 ' O ' ' C ' ' A' ' 638' ' ' TYR . 11.2 t80 -105.99 156.97 17.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 638' ' ' TYR . . . . . 0.601 ' O ' ' CD2' ' A' ' 640' ' ' PHE . 67.3 t80 -30.76 102.71 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.911 -179.809 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 639' ' ' ASP . . . . . . . . . . . . . 34.8 t70 54.95 54.96 8.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.844 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 640' ' ' PHE . . . . . 0.601 ' CD2' ' O ' ' A' ' 638' ' ' TYR . 60.7 m-85 -143.24 148.56 36.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.881 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -64.32 147.75 51.83 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.915 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 642' ' ' LEU . . . . . 0.42 HD12 ' C ' ' A' ' 642' ' ' LEU . 0.6 OUTLIER -50.79 111.39 0.54 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.926 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 643' ' ' GLN . . . . . 0.414 ' N ' HD12 ' A' ' 642' ' ' LEU . 3.5 tp60 -84.98 118.17 24.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.938 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 644' ' ' THR . . . . . . . . . . . . . 3.3 m -94.32 117.66 30.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.125 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 645' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -71.85 159.78 84.49 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.552 0.691 . . . . 0.0 111.157 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 646' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 126.1 12.92 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.655 2.237 . . . . 0.0 112.349 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 647' ' ' VAL . . . . . . . . . . . . . 39.0 t -73.41 133.44 31.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.081 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 648' ' ' VAL . . . . . 0.449 HG11 ' N ' ' A' ' 649' ' ' ARG . 48.1 t -137.31 156.13 32.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.152 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 649' ' ' ARG . . . . . 0.449 ' N ' HG11 ' A' ' 648' ' ' VAL . 20.2 mtt180 -96.72 123.99 40.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 650' ' ' GLY . . . . . . . . . . . . . . . 147.05 -169.51 28.09 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.473 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 651' ' ' LEU . . . . . . . . . . . . . 8.5 mt -115.2 -46.47 2.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.856 0.36 . . . . 0.0 110.973 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 652' ' ' HIS . . . . . . . . . . . . . 7.9 m170 -118.13 57.29 2.68 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.593 0.711 . . . . 0.0 110.882 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 653' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 178.72 4.28 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.66 2.24 . . . . 0.0 112.353 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 654' ' ' GLU . . . . . 0.428 ' O ' ' C ' ' A' ' 655' ' ' TYR . 35.0 mt-10 -128.73 72.08 1.44 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 655' ' ' TYR . . . . . 0.428 ' C ' ' O ' ' A' ' 654' ' ' GLU . 85.0 m-85 -35.65 -46.81 0.44 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.927 -179.847 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 10.6 m-20 56.78 44.03 24.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.886 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 657' ' ' PHE . . . . . . . . . . . . . 16.6 t80 -97.7 109.42 22.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 1.8 m -124.01 94.89 4.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.168 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 1.9 m -97.22 152.6 18.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.845 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 82.0 mt-30 -135.9 131.08 34.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 661' ' ' TYR . . . . . . . . . . . . . 53.4 m-85 -146.73 133.35 19.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.964 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 662' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -80.58 110.97 16.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.93 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 663' ' ' VAL . . . . . . . . . . . . . 8.0 m -107.83 119.43 57.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.099 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 664' ' ' HIS . . . . . . . . . . . . . 1.8 p-80 -86.02 108.65 18.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.893 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 665' ' ' VAL . . . . . 0.402 ' CG2' ' H ' ' A' ' 666' ' ' ASN . 1.3 p -156.4 -177.58 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.122 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 666' ' ' ASN . . . . . 0.402 ' H ' ' CG2' ' A' ' 665' ' ' VAL . 0.7 OUTLIER -129.09 -174.81 3.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 667' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -44.02 -33.41 1.42 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.915 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -43.39 -36.43 1.93 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 669' ' ' PHE . . . . . 0.501 ' CD1' ' C ' ' A' ' 669' ' ' PHE . 3.2 t80 -50.58 -44.92 56.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.85 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 670' ' ' LEU . . . . . . . . . . . . . 80.9 mt -49.88 -46.42 51.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.932 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 671' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -53.68 -50.45 65.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.906 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 672' ' ' TYR . . . . . 0.408 ' CD1' ' C ' ' A' ' 672' ' ' TYR . 0.5 OUTLIER -45.79 -22.73 0.2 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.881 -179.801 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 673' ' ' ILE . . . . . 0.454 HG21 ' CG2' ' A' ' 703' ' ' ILE . 4.0 mm -75.38 -46.52 37.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.133 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 674' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -76.17 -42.27 47.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 675' ' ' LYS . . . . . . . . . . . . . 41.8 mmtt -63.37 -56.46 16.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 676' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -125.27 156.49 38.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.908 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 677' ' ' THR . . . . . 0.443 HG23 ' CB ' ' A' ' 699' ' ' LYS . 7.7 p -124.49 164.38 19.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.14 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 678' ' ' ILE . . . . . 0.477 ' O ' ' N ' ' A' ' 698' ' ' LEU . 4.8 mp -90.69 138.18 20.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.179 179.856 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 5.4 m -101.33 118.06 36.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.132 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 680' ' ' LEU . . . . . 0.436 HD13 ' CD1' ' A' ' 635' ' ' TYR . 7.7 tt -121.0 103.74 9.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 681' ' ' GLU . . . . . 0.463 ' OE1' ' N ' ' A' ' 681' ' ' GLU . 3.2 mp0 -102.37 142.64 33.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.837 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 682' ' ' VAL . . . . . . . . . . . . . 61.8 t -115.11 98.64 7.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.125 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 683' ' ' HIS . . . . . 0.635 ' NE2' ' CZ ' ' A' ' 632' ' ' PHE . 3.5 p-80 -97.83 153.48 18.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.828 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 684' ' ' GLN . . . . . . . . . . . . . 48.7 tt0 -98.97 125.01 44.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.959 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -94.46 113.67 25.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.117 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 686' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 -93.52 168.16 11.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 687' ' ' SER . . . . . . . . . . . . . 18.5 m -85.46 6.26 27.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.859 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 688' ' ' THR . . . . . . . . . . . . . 78.5 p -132.0 -47.4 0.93 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.132 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 689' ' ' GLU . . . . . 0.498 ' C ' ' CD1' ' A' ' 690' ' ' TYR . 2.1 pt-20 -133.26 -177.46 4.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 690' ' ' TYR . . . . . 0.498 ' CD1' ' C ' ' A' ' 689' ' ' GLU . 26.0 m-85 -147.23 120.35 8.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.893 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 691' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -146.19 145.49 30.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.884 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 692' ' ' THR . . . . . 0.4 ' HA ' ' CB ' ' A' ' 683' ' ' HIS . 1.0 OUTLIER -68.24 158.2 33.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.135 -179.926 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 693' ' ' ILE . . . . . 0.464 HG13 ' N ' ' A' ' 694' ' ' ALA . 34.0 pt -133.77 -33.7 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.113 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 694' ' ' ALA . . . . . 0.464 ' N ' HG13 ' A' ' 693' ' ' ILE . . . -139.82 152.84 46.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.103 179.841 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 695' ' ' ALA . . . . . . . . . . . . . . . -151.65 121.79 7.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.142 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 696' ' ' CYS . . . . . . . . . . . . . 15.1 p -136.11 176.07 9.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.929 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 697' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -127.66 119.53 26.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 698' ' ' LEU . . . . . 0.477 ' N ' ' O ' ' A' ' 678' ' ' ILE . 12.1 mt -73.46 121.53 20.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 699' ' ' LYS . . . . . 0.443 ' CB ' HG23 ' A' ' 677' ' ' THR . 10.4 ptpt -143.77 125.23 14.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 179.823 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 700' ' ' PHE . . . . . 0.546 ' CD2' ' CE1' ' A' ' 733' ' ' PHE . 1.4 m-85 -108.63 125.08 51.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.864 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 701' ' ' HIS . . . . . . . . . . . . . 53.1 m-70 -89.15 -46.8 8.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.85 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 702' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -53.43 -26.66 20.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.893 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 703' ' ' ILE . . . . . 0.454 ' CG2' HG21 ' A' ' 673' ' ' ILE . 5.8 tt -71.97 2.08 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.1 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 704' ' ' LEU . . . . . . . . . . . . . 59.4 mt -100.03 -19.7 16.4 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.92 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 705' ' ' GLU . . . . . 0.458 ' C ' ' OE1' ' A' ' 705' ' ' GLU . 0.0 OUTLIER -116.93 -33.44 4.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.848 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 706' ' ' LYS . . . . . . . . . . . . . 9.0 ptpp? -122.96 159.89 27.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 707' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -139.44 128.68 23.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 708' ' ' GLY . . . . . 0.457 ' O ' ' N ' ' A' ' 710' ' ' ILE . . . 125.94 -144.38 15.07 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.494 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 709' ' ' ARG . . . . . . . . . . . . . 51.6 mtt180 -55.96 84.62 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.819 0.343 . . . . 0.0 110.853 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 710' ' ' ILE . . . . . 0.457 ' N ' ' O ' ' A' ' 708' ' ' GLY . 20.2 mt -124.0 125.98 71.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.103 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 711' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -95.89 144.37 26.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.91 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 712' ' ' CYS . . . . . . . . . . . . . 7.1 t -162.54 169.43 20.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 713' ' ' THR . . . . . . . . . . . . . 19.3 p -142.88 167.59 21.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.117 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 714' ' ' ALA . . . . . . . . . . . . . . . -131.96 146.86 52.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.081 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 715' ' ' SER . . . . . . . . . . . . . 29.5 p -89.44 149.58 22.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.84 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 716' ' ' LEU . . . . . . . . . . . . . 24.4 mt -116.82 133.55 55.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.913 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 717' ' ' ILE . . . . . . . . . . . . . 3.7 mp -121.16 118.35 55.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.112 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 718' ' ' GLY . . . . . 0.507 ' CA ' ' CD2' ' A' ' 726' ' ' PHE . . . -51.47 168.63 0.51 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.521 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 719' ' ' THR . . . . . . . . . . . . . 75.5 p -112.87 -30.09 7.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.881 0.372 . . . . 0.0 111.159 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 720' ' ' LYS . . . . . . . . . . . . . 10.5 mttm -72.06 -65.31 0.79 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.878 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 721' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 722' ' ' ASP . . . -108.21 31.11 8.18 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.439 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 722' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 721' ' ' GLY . 27.3 t70 37.52 48.85 0.94 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.77 0.319 . . . . 0.0 110.83 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 723' ' ' ILE . . . . . 0.422 HG23 ' CD ' ' A' ' 619' ' ' GLU . 93.7 mt -69.45 113.38 16.52 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.606 0.717 . . . . 0.0 111.138 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 724' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -36.62 10.53 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.719 2.279 . . . . 0.0 112.343 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 725' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -91.72 36.96 0.96 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.848 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 726' ' ' PHE . . . . . 0.507 ' CD2' ' CA ' ' A' ' 718' ' ' GLY . 7.4 t80 -55.24 -35.14 64.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.855 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 727' ' ' GLY . . . . . . . . . . . . . . . 151.64 -167.91 31.0 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.533 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 728' ' ' THR . . . . . . . . . . . . . 3.2 m -143.3 144.74 32.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.805 0.336 . . . . 0.0 111.126 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 729' ' ' VAL . . . . . 0.523 HG12 ' CE2' ' A' ' 731' ' ' TYR . 12.0 p -107.64 140.55 25.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.174 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 12.4 mp0 -109.49 126.23 53.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.859 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 731' ' ' TYR . . . . . 0.523 ' CE2' HG12 ' A' ' 729' ' ' VAL . 1.3 p90 -159.94 164.17 33.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.947 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 732' ' ' TRP . . . . . 0.439 ' CZ3' ' HG2' ' A' ' 734' ' ' ARG . 18.1 p-90 -139.09 141.92 38.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.889 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 733' ' ' PHE . . . . . 0.546 ' CE1' ' CD2' ' A' ' 700' ' ' PHE . 30.4 p90 -124.64 157.37 35.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 734' ' ' ARG . . . . . 0.439 ' HG2' ' CZ3' ' A' ' 732' ' ' TRP . 8.1 ptm180 -154.56 121.32 5.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.866 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 735' ' ' LEU . . . . . 0.437 ' HB2' ' CD2' ' A' ' 607' ' ' PHE . 5.7 tp -130.53 107.33 9.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.94 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 736' ' ' ARG . . . . . 0.431 ' O ' ' C ' ' A' ' 737' ' ' VAL . 10.8 ttt180 -155.88 146.14 21.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.897 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 737' ' ' VAL . . . . . 0.431 ' C ' ' O ' ' A' ' 736' ' ' ARG . 7.1 p -35.44 133.47 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.153 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 738' ' ' SER . . . . . . . . . . . . . 40.6 t . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.834 -179.861 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 604' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.823 0.344 . . . . 0.0 110.907 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 605' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -121.5 154.07 37.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 606' ' ' LEU . . . . . . . . . . . . . 37.6 tp -131.58 124.79 30.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 607' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -123.97 122.74 38.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 608' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -135.01 154.24 51.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.877 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 609' ' ' ILE . . . . . . . . . . . . . 40.8 mt -136.95 129.3 44.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.143 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 610' ' ' HIS . . . . . 0.538 ' HD1' ' N ' ' A' ' 611' ' ' ILE . 0.0 OUTLIER -125.62 127.45 46.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.857 179.896 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 611' ' ' ILE . . . . . 0.538 ' N ' ' HD1' ' A' ' 610' ' ' HIS . 46.4 mm -94.5 105.52 17.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.093 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 612' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 -59.7 -67.48 0.38 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 613' ' ' LYS . . . . . . . . . . . . . 2.8 ptpt -160.09 178.7 9.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 614' ' ' VAL . . . . . . . . . . . . . 72.0 t -130.76 114.29 27.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.166 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 615' ' ' THR . . . . . . . . . . . . . 37.9 m -87.99 150.21 23.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.132 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 616' ' ' PHE . . . . . 0.51 ' HB3' ' CG2' ' A' ' 620' ' ' VAL . 62.0 m-85 -128.35 162.92 25.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.919 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 617' ' ' SER . . . . . 0.489 ' O ' ' N ' ' A' ' 619' ' ' GLU . 8.0 t -107.84 150.22 27.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 -179.825 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 618' ' ' SER . . . . . . . . . . . . . 15.2 m -38.69 -26.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.853 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 619' ' ' GLU . . . . . 0.489 ' N ' ' O ' ' A' ' 617' ' ' SER . 6.9 mp0 -48.53 -58.42 4.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.903 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 620' ' ' VAL . . . . . 0.51 ' CG2' ' HB3' ' A' ' 616' ' ' PHE . 31.2 m -77.85 -35.77 21.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.145 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 621' ' ' LEU . . . . . 0.449 ' CD2' HD11 ' A' ' 651' ' ' LEU . 24.4 mt -56.28 -64.42 0.87 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.921 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 622' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -49.17 -57.96 5.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.931 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -44.74 -43.58 8.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.102 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 4.0 m -68.98 -50.93 44.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.828 -179.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 625' ' ' GLY . . . . . . . . . . . . . . . 95.85 -138.19 13.81 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.482 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 626' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -92.36 46.21 1.24 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.821 0.343 . . . . 0.0 110.836 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 43.6 mttm -122.45 160.43 25.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.87 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -109.67 91.48 10.53 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.694 0.759 . . . . 0.0 110.874 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 629' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 115.79 4.26 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.688 2.258 . . . . 0.0 112.338 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 630' ' ' VAL . . . . . 0.438 HG13 ' CG1' ' A' ' 647' ' ' VAL . 17.6 t -89.88 128.79 41.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.08 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 631' ' ' THR . . . . . 0.459 ' CG2' ' HG2' ' A' ' 684' ' ' GLN . 57.9 p -140.44 150.87 44.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.137 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 632' ' ' PHE . . . . . 0.602 ' CZ ' ' NE2' ' A' ' 683' ' ' HIS . 9.5 p90 -139.04 143.83 38.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 633' ' ' CYS . . . . . . . . . . . . . 85.7 m -98.15 143.24 28.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.837 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 634' ' ' THR . . . . . . . . . . . . . 13.3 p -145.49 130.29 18.14 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.123 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 635' ' ' TYR . . . . . 0.413 ' CD2' HD12 ' A' ' 680' ' ' LEU . 43.1 p90 -166.11 175.85 8.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.915 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 636' ' ' ALA . . . . . . . . . . . . . . . -128.57 144.83 51.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.066 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 637' ' ' PHE . . . . . . . . . . . . . 65.3 t80 -107.02 136.33 47.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.88 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 638' ' ' TYR . . . . . . . . . . . . . 2.8 t80 52.18 25.13 3.11 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.932 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 639' ' ' ASP . . . . . . . . . . . . . 7.4 t0 68.27 46.81 1.05 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.861 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 640' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -108.49 176.01 5.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -50.98 126.88 17.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.877 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 642' ' ' LEU . . . . . 0.401 HD12 ' CA ' ' A' ' 635' ' ' TYR . 10.0 tp -47.05 154.32 0.36 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 643' ' ' GLN . . . . . . . . . . . . . 17.2 mm-40 -122.53 110.11 15.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.926 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 644' ' ' THR . . . . . . . . . . . . . 55.9 m -82.69 121.28 26.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.118 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 645' ' ' THR . . . . . . . . . . . . . 20.5 p -83.92 154.43 64.34 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.53 0.681 . . . . 0.0 111.175 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 646' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 120.98 7.68 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.726 2.284 . . . . 0.0 112.331 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 647' ' ' VAL . . . . . 0.438 ' CG1' HG13 ' A' ' 630' ' ' VAL . 59.0 t -68.88 126.83 29.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.111 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 648' ' ' VAL . . . . . 0.45 HG12 ' N ' ' A' ' 649' ' ' ARG . 86.7 t -131.54 140.0 49.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.149 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 649' ' ' ARG . . . . . 0.45 ' N ' HG12 ' A' ' 648' ' ' VAL . 13.9 mtm-85 -84.93 150.77 24.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.916 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 650' ' ' GLY . . . . . . . . . . . . . . . 114.78 156.06 11.24 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.473 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 651' ' ' LEU . . . . . 0.452 HD22 ' N ' ' A' ' 651' ' ' LEU . 4.4 mm? -64.31 -54.97 24.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.848 0.356 . . . . 0.0 110.928 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 652' ' ' HIS . . . . . . . . . . . . . 15.3 m-70 -108.3 72.54 0.42 Allowed Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.535 0.683 . . . . 0.0 110.83 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 653' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 163.19 39.19 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.679 2.252 . . . . 0.0 112.332 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -118.57 80.15 1.49 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 655' ' ' TYR . . . . . . . . . . . . . 43.1 m-85 -51.5 -53.69 34.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.893 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 5.2 m120 58.14 40.13 25.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.903 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 657' ' ' PHE . . . . . . . . . . . . . 39.9 t80 -92.64 109.0 20.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 88.3 m -119.31 119.38 33.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.146 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 56.6 m -138.94 140.26 38.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.845 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -136.36 149.82 48.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.905 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 661' ' ' TYR . . . . . . . . . . . . . 78.6 m-85 -149.44 138.31 21.13 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.937 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 662' ' ' LEU . . . . . 0.405 ' C ' HD13 ' A' ' 662' ' ' LEU . 0.3 OUTLIER -72.54 105.64 4.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.926 179.95 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 663' ' ' VAL . . . . . . . . . . . . . 24.2 m -105.97 120.95 57.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.067 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 664' ' ' HIS . . . . . 0.406 ' O ' ' CG ' ' A' ' 664' ' ' HIS . 9.6 p80 -89.76 98.53 11.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.867 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 665' ' ' VAL . . . . . 0.426 HG22 ' N ' ' A' ' 666' ' ' ASN . 11.4 p -138.34 164.01 27.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.157 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 666' ' ' ASN . . . . . 0.426 ' N ' HG22 ' A' ' 665' ' ' VAL . 11.5 m120 -109.46 -175.01 2.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.921 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 667' ' ' ASP . . . . . 0.453 ' O ' ' C ' ' A' ' 668' ' ' LEU . 0.9 OUTLIER -40.17 -45.28 1.99 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.877 179.873 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 668' ' ' LEU . . . . . 0.453 ' C ' ' O ' ' A' ' 667' ' ' ASP . 11.1 mt -33.94 -39.69 0.07 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.914 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 669' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -45.82 -54.88 7.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 670' ' ' LEU . . . . . . . . . . . . . 37.1 mt -50.27 -43.04 53.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 671' ' ' GLN . . . . . . . . . . . . . 8.3 mm100 -54.49 -48.39 71.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 672' ' ' TYR . . . . . 0.484 ' CD1' ' C ' ' A' ' 672' ' ' TYR . 0.7 OUTLIER -47.9 -40.36 21.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.922 -179.859 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 673' ' ' ILE . . . . . . . . . . . . . 16.1 mt -63.23 -38.57 82.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.11 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 674' ' ' GLN . . . . . . . . . . . . . 8.2 mm-40 -78.95 -61.55 1.98 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.924 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 675' ' ' LYS . . . . . . . . . . . . . 45.4 mtpt -53.94 -57.47 10.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 676' ' ' ASN . . . . . . . . . . . . . 18.8 m-20 -111.01 173.07 6.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.925 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 37.6 p -139.65 164.7 29.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.115 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 678' ' ' ILE . . . . . . . . . . . . . 5.3 mp -87.5 139.36 17.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.145 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 20.4 m -109.57 125.57 52.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.152 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 680' ' ' LEU . . . . . 0.447 ' CB ' HD12 ' A' ' 698' ' ' LEU . 7.2 tt -134.78 102.09 5.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.902 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 681' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -98.96 128.91 45.22 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 682' ' ' VAL . . . . . . . . . . . . . 76.9 t -99.86 99.14 7.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.117 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 683' ' ' HIS . . . . . 0.602 ' NE2' ' CZ ' ' A' ' 632' ' ' PHE . 9.8 p-80 -93.11 162.49 14.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 684' ' ' GLN . . . . . 0.508 ' HB2' ' CE2' ' A' ' 686' ' ' TYR . 41.3 mt-30 -111.75 160.05 17.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -107.58 102.82 12.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.106 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 686' ' ' TYR . . . . . 0.508 ' CE2' ' HB2' ' A' ' 684' ' ' GLN . 0.1 OUTLIER -129.18 131.19 47.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.94 -179.822 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 687' ' ' SER . . . . . 0.495 ' O ' ' CG2' ' A' ' 688' ' ' THR . 1.8 m 45.48 53.24 8.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.901 -179.816 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 688' ' ' THR . . . . . 0.495 ' CG2' ' O ' ' A' ' 687' ' ' SER . 14.8 t 46.05 26.13 0.39 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.106 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 689' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -113.69 147.83 37.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.877 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 690' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -128.67 116.98 20.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.932 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 691' ' ' GLU . . . . . 0.429 ' O ' ' C ' ' A' ' 692' ' ' THR . 41.8 tt0 -147.21 105.0 3.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.895 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 692' ' ' THR . . . . . 0.429 ' C ' ' O ' ' A' ' 691' ' ' GLU . 96.5 m -33.8 135.74 0.13 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.11 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 693' ' ' ILE . . . . . 0.474 HD12 ' CB ' ' A' ' 694' ' ' ALA . 2.6 pp -128.76 -28.9 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.165 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 694' ' ' ALA . . . . . 0.474 ' CB ' HD12 ' A' ' 693' ' ' ILE . . . -130.92 132.03 44.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.16 179.771 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 695' ' ' ALA . . . . . . . . . . . . . . . -135.46 144.18 46.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.108 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 696' ' ' CYS . . . . . . . . . . . . . 30.6 p -151.45 160.8 43.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 697' ' ' GLN . . . . . 0.4 ' N ' ' CD ' ' A' ' 697' ' ' GLN . 7.1 mp0 -109.05 122.16 46.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 -179.838 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 698' ' ' LEU . . . . . 0.572 HD23 ' CE2' ' A' ' 731' ' ' TYR . 29.8 mt -93.58 123.63 37.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 699' ' ' LYS . . . . . . . . . . . . . 8.6 ptpt -150.21 132.98 15.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.891 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 700' ' ' PHE . . . . . 0.641 ' CD1' ' CE1' ' A' ' 733' ' ' PHE . 5.6 m-85 -109.81 125.6 52.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.884 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 701' ' ' HIS . . . . . . . . . . . . . 35.0 m-70 -88.84 -67.83 0.81 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.856 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 702' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 706' ' ' LYS . 81.4 mm-40 -45.74 -30.9 1.77 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 703' ' ' ILE . . . . . 0.433 ' CG2' ' N ' ' A' ' 704' ' ' LEU . 0.0 OUTLIER -47.86 -39.61 7.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.079 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 704' ' ' LEU . . . . . 0.433 ' N ' ' CG2' ' A' ' 703' ' ' ILE . 21.0 mt -60.71 -43.52 97.73 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.939 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 705' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -89.38 -65.05 1.05 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.884 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 706' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 702' ' ' GLU . 19.4 mttm -82.77 175.12 10.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.936 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 707' ' ' SER . . . . . . . . . . . . . 89.5 p -169.96 105.03 0.32 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.89 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 708' ' ' GLY . . . . . . . . . . . . . . . 160.28 80.81 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.465 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 709' ' ' ARG . . . . . . . . . . . . . 49.1 mtt85 44.45 54.81 6.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.781 0.324 . . . . 0.0 110.848 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 710' ' ' ILE . . . . . . . . . . . . . 16.6 mt -72.18 82.89 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.116 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 711' ' ' PHE . . . . . . . . . . . . . 79.3 m-85 -37.24 131.49 0.83 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.913 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 712' ' ' CYS . . . . . . . . . . . . . 65.6 m -154.71 178.39 10.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.829 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 713' ' ' THR . . . . . . . . . . . . . 38.2 p -150.64 163.22 39.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.126 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 714' ' ' ALA . . . . . . . . . . . . . . . -135.26 160.75 37.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.123 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 715' ' ' SER . . . . . . . . . . . . . 28.9 t -100.23 139.24 36.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.845 -179.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 716' ' ' LEU . . . . . . . . . . . . . 13.7 mt -111.37 138.87 47.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.933 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 717' ' ' ILE . . . . . . . . . . . . . 4.4 mp -127.77 144.75 36.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.133 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 718' ' ' GLY . . . . . . . . . . . . . . . -90.77 160.72 27.78 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.452 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 719' ' ' THR . . . . . . . . . . . . . 24.6 p -106.3 -41.31 5.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.853 0.358 . . . . 0.0 111.123 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 720' ' ' LYS . . . . . . . . . . . . . 7.2 mmpt? -55.92 -47.18 77.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 721' ' ' GLY . . . . . 0.444 ' O ' ' C ' ' A' ' 722' ' ' ASP . . . -124.17 30.98 4.62 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.493 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 722' ' ' ASP . . . . . 0.445 ' CG ' ' O ' ' A' ' 722' ' ' ASP . 18.0 t70 34.39 41.8 0.06 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.814 0.34 . . . . 0.0 110.837 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 723' ' ' ILE . . . . . . . . . . . . . 76.4 mt -67.87 111.67 8.34 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.593 0.711 . . . . 0.0 111.119 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 724' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -50.86 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.643 2.229 . . . . 0.0 112.333 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 725' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -86.14 50.42 1.98 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.891 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 726' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -59.0 -42.5 90.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 727' ' ' GLY . . . . . . . . . . . . . . . 155.79 175.94 27.37 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.485 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 728' ' ' THR . . . . . . . . . . . . . 6.3 m -117.85 145.9 44.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.763 0.316 . . . . 0.0 111.169 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 729' ' ' VAL . . . . . . . . . . . . . 7.1 p -108.77 140.45 27.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.119 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -108.67 117.75 35.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.918 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 731' ' ' TYR . . . . . 0.572 ' CE2' HD23 ' A' ' 698' ' ' LEU . 0.5 OUTLIER -160.8 159.16 29.62 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.931 -179.817 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 732' ' ' TRP . . . . . . . . . . . . . 69.6 p-90 -131.95 175.05 9.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.917 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 733' ' ' PHE . . . . . 0.641 ' CE1' ' CD1' ' A' ' 700' ' ' PHE . 15.2 p90 -152.37 151.0 30.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.828 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 734' ' ' ARG . . . . . . . . . . . . . 16.0 ttp180 -146.58 139.03 25.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.84 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 735' ' ' LEU . . . . . . . . . . . . . 43.6 tp -139.97 105.12 5.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.942 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 736' ' ' ARG . . . . . . . . . . . . . 9.6 mmm180 -149.05 166.7 27.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.856 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 737' ' ' VAL . . . . . . . . . . . . . 7.1 p -71.26 113.58 7.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.128 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 738' ' ' SER . . . . . . . . . . . . . 15.9 t . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 -179.849 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 604' ' ' GLU . . . . . 0.475 ' CG ' HD11 ' A' ' 662' ' ' LEU . 2.3 tp10 . . . . . 0 C--O 1.23 0.049 0 CA-C-O 120.86 0.362 . . . . 0.0 110.893 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 605' ' ' ASN . . . . . 0.497 ' ND2' ' O ' ' A' ' 663' ' ' VAL . 1.3 p-10 -113.68 146.75 39.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 606' ' ' LEU . . . . . . . . . . . . . 12.0 tp -136.56 142.89 43.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 607' ' ' PHE . . . . . . . . . . . . . 11.2 t80 -138.51 144.52 40.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 608' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -156.68 142.47 17.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.866 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 609' ' ' ILE . . . . . . . . . . . . . 5.3 mp -120.94 123.11 69.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.122 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 610' ' ' HIS . . . . . 0.516 ' HB3' ' CE2' ' A' ' 732' ' ' TRP . 61.8 t60 -99.65 140.48 33.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.829 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 50.9 mm -118.35 97.62 5.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.131 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 612' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -60.26 -67.72 0.36 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.92 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 613' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -159.85 176.89 11.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.898 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 614' ' ' VAL . . . . . . . . . . . . . 66.4 t -129.04 123.71 59.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.105 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 615' ' ' THR . . . . . . . . . . . . . 44.3 m -94.5 146.59 23.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.088 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 616' ' ' PHE . . . . . 0.497 ' HB3' ' CG2' ' A' ' 620' ' ' VAL . 33.2 m-85 -123.73 161.96 24.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 2.9 t -100.42 153.44 19.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.875 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 618' ' ' SER . . . . . . . . . . . . . 48.0 t -49.52 -21.27 0.91 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.897 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 619' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -58.2 -51.43 69.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.894 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 620' ' ' VAL . . . . . 0.497 ' CG2' ' HB3' ' A' ' 616' ' ' PHE . 30.1 m -77.72 -21.25 13.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.139 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 621' ' ' LEU . . . . . . . . . . . . . 21.0 mt -66.97 -61.88 1.71 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.947 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 622' ' ' GLN . . . . . . . . . . . . . 72.5 mt-30 -57.27 -52.76 64.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.916 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -44.64 -47.48 10.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.074 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 13.2 t -62.5 -46.98 85.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.852 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 625' ' ' GLY . . . . . . . . . . . . . . . 103.51 -155.84 17.85 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.484 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 626' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -83.64 45.73 1.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.918 0.39 . . . . 0.0 110.863 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 9.9 ptpt -132.61 169.04 17.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.93 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 18.3 mp0 -115.61 92.76 34.62 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.648 0.737 . . . . 0.0 110.917 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 629' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 110.95 2.69 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.689 2.259 . . . . 0.0 112.342 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 630' ' ' VAL . . . . . 0.467 HG11 ' CG1' ' A' ' 647' ' ' VAL . 14.6 t -79.91 134.74 26.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.117 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 631' ' ' THR . . . . . . . . . . . . . 71.8 p -153.34 160.88 42.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.087 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 632' ' ' PHE . . . . . 0.49 ' CE2' ' NE2' ' A' ' 683' ' ' HIS . 41.3 p90 -146.46 161.04 41.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.912 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 633' ' ' CYS . . . . . . . . . . . . . 99.0 m -94.65 157.22 16.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 634' ' ' THR . . . . . . . . . . . . . 12.8 p -154.2 138.26 16.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.151 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 635' ' ' TYR . . . . . . . . . . . . . 44.2 p90 -174.37 159.72 3.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.881 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 636' ' ' ALA . . . . . . . . . . . . . . . -112.42 161.48 16.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.079 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 637' ' ' PHE . . . . . 0.443 ' O ' ' C ' ' A' ' 638' ' ' TYR . 3.4 t80 -106.93 154.06 21.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 638' ' ' TYR . . . . . 0.547 ' O ' ' CD2' ' A' ' 640' ' ' PHE . 2.2 t80 -34.43 99.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.935 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 639' ' ' ASP . . . . . . . . . . . . . 3.3 t70 63.33 54.69 1.96 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.862 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 640' ' ' PHE . . . . . 0.547 ' CD2' ' O ' ' A' ' 638' ' ' TYR . 87.4 m-85 -147.68 143.07 27.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -48.59 168.38 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.886 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 642' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -79.4 113.55 17.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 643' ' ' GLN . . . . . . . . . . . . . 13.6 mm-40 -79.35 138.34 37.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.927 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 644' ' ' THR . . . . . . . . . . . . . 60.3 m -118.72 128.77 54.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.128 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 645' ' ' THR . . . . . . . . . . . . . 10.8 p -87.92 155.91 52.55 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.571 0.701 . . . . 0.0 111.131 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 646' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 123.57 10.22 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.683 2.255 . . . . 0.0 112.308 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 647' ' ' VAL . . . . . 0.467 ' CG1' HG11 ' A' ' 630' ' ' VAL . 25.0 t -68.73 134.69 29.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.14 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 648' ' ' VAL . . . . . 0.411 HG23 ' C ' ' A' ' 647' ' ' VAL . 42.0 t -136.82 142.44 37.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.092 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 649' ' ' ARG . . . . . . . . . . . . . 31.5 mtt85 -84.85 141.46 30.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.875 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 650' ' ' GLY . . . . . . . . . . . . . . . 123.21 158.36 10.16 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.508 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 651' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -70.68 -47.81 57.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.859 0.361 . . . . 0.0 110.903 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 652' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -115.97 67.93 3.2 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.585 0.707 . . . . 0.0 110.873 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 653' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 161.95 43.93 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.727 2.285 . . . . 0.0 112.352 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -120.02 105.37 10.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.916 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 655' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 -85.86 -58.99 2.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.927 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 656' ' ' ASN . . . . . 0.452 ' HA ' ' CE1' ' A' ' 610' ' ' HIS . 15.1 m-80 63.92 29.57 14.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.862 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 657' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -101.39 139.68 36.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 12.7 t -135.21 147.22 49.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.119 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 29.9 t -105.15 136.97 43.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -126.41 132.67 51.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.866 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 661' ' ' TYR . . . . . . . . . . . . . 27.5 m-85 -148.98 133.06 17.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.899 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 662' ' ' LEU . . . . . 0.475 HD11 ' CG ' ' A' ' 604' ' ' GLU . 0.3 OUTLIER -72.53 102.57 3.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.901 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 663' ' ' VAL . . . . . 0.497 ' O ' ' ND2' ' A' ' 605' ' ' ASN . 3.3 m -96.09 140.35 17.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.101 179.839 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 664' ' ' HIS . . . . . . . . . . . . . 5.7 p80 -125.73 101.3 6.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.884 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 665' ' ' VAL . . . . . 0.442 HG21 ' CD2' ' A' ' 669' ' ' PHE . 0.0 OUTLIER -162.13 173.18 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.095 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 666' ' ' ASN . . . . . . . . . . . . . 68.4 m-80 -131.44 -70.42 0.59 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 667' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -90.39 -53.13 4.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.817 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 10.9 mp -43.3 -25.42 0.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.901 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 669' ' ' PHE . . . . . 0.442 ' CD2' HG21 ' A' ' 665' ' ' VAL . 0.7 OUTLIER -61.09 -60.5 3.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 670' ' ' LEU . . . . . . . . . . . . . 85.6 mt -64.4 -51.35 63.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.932 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 671' ' ' GLN . . . . . . . . . . . . . 8.7 mm-40 -49.23 -27.55 3.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 672' ' ' TYR . . . . . 0.494 ' CD1' ' C ' ' A' ' 672' ' ' TYR . 1.7 t80 -73.35 -47.25 43.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.922 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 673' ' ' ILE . . . . . . . . . . . . . 87.5 mt -70.15 -21.74 23.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.134 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 674' ' ' GLN . . . . . . . . . . . . . 8.5 mm-40 -87.61 -55.97 3.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.938 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 675' ' ' LYS . . . . . . . . . . . . . 35.9 mtpt -59.88 -70.1 0.18 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 676' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -103.01 177.76 4.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 677' ' ' THR . . . . . 0.413 ' CG2' ' HB3' ' A' ' 699' ' ' LYS . 20.3 p -135.83 -178.97 5.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.139 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 678' ' ' ILE . . . . . . . . . . . . . 18.9 mt -93.13 145.65 7.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.102 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 25.4 m -117.73 104.55 11.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.147 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 680' ' ' LEU . . . . . . . . . . . . . 7.2 tt -111.96 102.19 10.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.93 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 681' ' ' GLU . . . . . 0.421 ' OE1' ' N ' ' A' ' 681' ' ' GLU . 2.0 mp0 -101.69 134.78 44.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 682' ' ' VAL . . . . . . . . . . . . . 86.7 t -103.93 100.06 9.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.133 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 683' ' ' HIS . . . . . 0.49 ' NE2' ' CE2' ' A' ' 632' ' ' PHE . 0.3 OUTLIER -95.83 154.87 17.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.842 179.935 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 684' ' ' GLN . . . . . . . . . . . . . 28.5 tt0 -87.25 159.16 18.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -122.54 102.78 8.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.068 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 686' ' ' TYR . . . . . 0.434 ' O ' ' C ' ' A' ' 687' ' ' SER . 74.7 m-85 -86.32 150.87 24.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.889 -179.845 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 687' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 686' ' ' TYR . 0.3 OUTLIER -34.05 -63.46 0.27 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.866 -179.844 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 688' ' ' THR . . . . . . . . . . . . . 10.2 t -119.99 22.32 11.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.135 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 689' ' ' GLU . . . . . 0.471 ' C ' ' CD1' ' A' ' 690' ' ' TYR . 7.1 mp0 -141.45 163.4 33.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 690' ' ' TYR . . . . . 0.471 ' CD1' ' C ' ' A' ' 689' ' ' GLU . 42.4 m-85 -154.26 120.18 5.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.906 -179.841 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 691' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -145.72 153.79 41.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.841 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 692' ' ' THR . . . . . 0.437 ' HA ' ' CB ' ' A' ' 683' ' ' HIS . 5.3 m -81.29 151.16 28.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.118 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 693' ' ' ILE . . . . . . . . . . . . . 30.2 pt -130.21 -31.09 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.155 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -135.66 160.66 37.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.089 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 695' ' ' ALA . . . . . . . . . . . . . . . -157.28 123.56 4.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.135 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 696' ' ' CYS . . . . . . . . . . . . . 3.7 p -141.65 158.08 44.27 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.936 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 697' ' ' GLN . . . . . . . . . . . . . 21.0 mp0 -112.66 130.0 56.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 698' ' ' LEU . . . . . . . . . . . . . 14.0 mt -94.67 135.48 36.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.943 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 699' ' ' LYS . . . . . 0.413 ' HB3' ' CG2' ' A' ' 677' ' ' THR . 2.5 pttt -152.73 125.25 8.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 700' ' ' PHE . . . . . 0.536 ' CD1' ' CD1' ' A' ' 733' ' ' PHE . 3.5 m-85 -94.06 125.3 38.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.915 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 701' ' ' HIS . . . . . . . . . . . . . 48.3 m-70 -89.05 -66.1 0.95 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.891 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 702' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -47.91 -31.5 5.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 703' ' ' ILE . . . . . 0.472 ' CG2' HD22 ' A' ' 704' ' ' LEU . 0.0 OUTLIER -47.94 -29.62 2.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.174 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 704' ' ' LEU . . . . . 0.472 HD22 ' CG2' ' A' ' 703' ' ' ILE . 4.5 mm? -72.71 -44.5 61.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.904 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 705' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -83.73 -64.91 1.08 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.843 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 706' ' ' LYS . . . . . . . . . . . . . 12.9 mttm -82.62 172.68 12.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 707' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -147.42 126.6 12.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.858 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 708' ' ' GLY . . . . . 0.419 ' C ' ' HG2' ' A' ' 734' ' ' ARG . . . 124.43 -147.71 16.6 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.492 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 709' ' ' ARG . . . . . 0.475 ' N ' ' HG2' ' A' ' 734' ' ' ARG . 24.6 ttm180 -66.46 103.88 1.13 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.836 0.35 . . . . 0.0 110.811 -179.831 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 710' ' ' ILE . . . . . 0.441 ' HB ' ' CZ ' ' A' ' 733' ' ' PHE . 53.8 mt -124.79 110.53 25.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.131 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 711' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -66.73 136.06 54.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 712' ' ' CYS . . . . . . . . . . . . . 2.2 m -162.17 165.9 26.32 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 713' ' ' THR . . . . . . . . . . . . . 53.0 p -148.15 164.43 33.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.153 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 714' ' ' ALA . . . . . . . . . . . . . . . -133.57 145.36 50.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.032 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 715' ' ' SER . . . . . . . . . . . . . 78.5 p -89.02 145.84 25.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.894 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 716' ' ' LEU . . . . . . . . . . . . . 16.5 mt -111.6 143.51 42.36 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.874 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 717' ' ' ILE . . . . . . . . . . . . . 5.3 mp -132.78 136.59 55.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.128 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 718' ' ' GLY . . . . . . . . . . . . . . . -67.62 153.57 52.92 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.48 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 719' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -87.06 -34.17 19.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.891 0.377 . . . . 0.0 111.152 -179.851 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 720' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -117.67 -49.81 2.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.938 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 721' ' ' GLY . . . . . . . . . . . . . . . -58.94 -12.82 16.51 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.459 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 722' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 49.22 50.82 17.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.809 0.337 . . . . 0.0 110.878 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 723' ' ' ILE . . . . . . . . . . . . . 17.7 mt -106.67 106.65 58.44 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.59 0.709 . . . . 0.0 111.123 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 724' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -30.52 22.2 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.654 2.236 . . . . 0.0 112.404 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 725' ' ' ASN . . . . . . . . . . . . . 88.8 m-20 -97.61 32.89 2.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 726' ' ' PHE . . . . . . . . . . . . . 14.5 t80 -51.67 -37.47 50.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.921 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 727' ' ' GLY . . . . . . . . . . . . . . . 157.68 171.38 23.58 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.49 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 728' ' ' THR . . . . . . . . . . . . . 3.4 m -117.61 147.71 42.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.818 0.342 . . . . 0.0 111.144 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 729' ' ' VAL . . . . . . . . . . . . . 10.8 p -110.78 132.93 57.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.128 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -105.11 134.33 48.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 731' ' ' TYR . . . . . . . . . . . . . 13.1 p90 -164.54 164.86 21.64 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.949 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 732' ' ' TRP . . . . . 0.516 ' CE2' ' HB3' ' A' ' 610' ' ' HIS . 57.0 p-90 -144.22 128.91 18.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.926 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 733' ' ' PHE . . . . . 0.536 ' CD1' ' CD1' ' A' ' 700' ' ' PHE . 11.8 p90 -108.03 162.23 14.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.883 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 734' ' ' ARG . . . . . 0.475 ' HG2' ' N ' ' A' ' 709' ' ' ARG . 13.9 mtp-105 -157.53 130.58 7.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.919 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 735' ' ' LEU . . . . . . . . . . . . . 16.4 tp -115.08 105.15 12.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.903 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 736' ' ' ARG . . . . . . . . . . . . . 21.0 ttt180 -137.29 156.64 48.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 737' ' ' VAL . . . . . 0.457 HG22 ' N ' ' A' ' 738' ' ' SER . 15.0 p -55.6 160.12 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.126 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 738' ' ' SER . . . . . 0.457 ' N ' HG22 ' A' ' 737' ' ' VAL . 1.5 t . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 604' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.23 0.035 0 CA-C-O 120.882 0.372 . . . . 0.0 110.853 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 605' ' ' ASN . . . . . . . . . . . . . 44.8 m-80 -167.79 144.05 4.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.895 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 606' ' ' LEU . . . . . 0.422 HD23 ' CD ' ' A' ' 608' ' ' GLU . 4.5 tp -124.92 142.49 51.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 607' ' ' PHE . . . . . . . . . . . . . 7.1 t80 -124.86 111.51 15.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 608' ' ' GLU . . . . . 0.422 ' CD ' HD23 ' A' ' 606' ' ' LEU . 1.9 mp0 -106.14 145.44 31.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.874 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 609' ' ' ILE . . . . . . . . . . . . . 58.8 mt -145.07 105.61 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.129 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 610' ' ' HIS . . . . . 0.403 ' CD2' ' C ' ' A' ' 610' ' ' HIS . 1.3 t60 -120.76 137.44 54.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.855 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 20.2 mm -103.25 119.01 51.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.14 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 612' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -71.43 -68.07 0.47 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.887 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 613' ' ' LYS . . . . . . . . . . . . . 4.9 pttm -164.28 172.47 13.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 614' ' ' VAL . . . . . . . . . . . . . 60.6 t -120.35 114.79 45.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.161 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 615' ' ' THR . . . . . . . . . . . . . 79.4 m -87.09 137.51 32.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.11 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 616' ' ' PHE . . . . . 0.474 ' CD1' HG12 ' A' ' 620' ' ' VAL . 35.7 m-85 -106.89 163.66 12.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.861 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 617' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 618' ' ' SER . 1.0 OUTLIER -108.0 158.44 17.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.836 -179.795 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 618' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 617' ' ' SER . 71.9 p -36.11 -58.99 0.64 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.85 -179.823 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 619' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -42.52 -47.57 5.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.886 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 620' ' ' VAL . . . . . 0.474 HG12 ' CD1' ' A' ' 616' ' ' PHE . 4.9 t -72.0 -36.93 59.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.157 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 621' ' ' LEU . . . . . 0.452 ' CD2' HD11 ' A' ' 651' ' ' LEU . 41.3 mt -67.12 -65.56 0.67 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 622' ' ' GLN . . . . . . . . . . . . . 59.5 mt-30 -52.07 -41.97 62.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -43.74 -45.05 6.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.082 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 38.1 m -87.73 -48.38 7.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.887 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 625' ' ' GLY . . . . . . . . . . . . . . . 98.74 -130.22 10.15 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.508 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 626' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -85.15 36.73 0.64 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.858 0.361 . . . . 0.0 110.86 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 15.2 mmmt -123.79 162.38 23.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.943 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -112.45 116.03 48.88 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.674 0.749 . . . . 0.0 110.879 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 629' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 126.59 13.47 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.67 2.247 . . . . 0.0 112.32 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 630' ' ' VAL . . . . . . . . . . . . . 6.5 t -106.7 112.11 38.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.12 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 631' ' ' THR . . . . . . . . . . . . . 30.8 p -143.83 160.69 40.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.16 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 632' ' ' PHE . . . . . 0.651 ' CE2' ' NE2' ' A' ' 683' ' ' HIS . 4.3 p90 -134.39 147.09 50.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.93 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 633' ' ' CYS . . . . . 0.498 ' O ' ' CG2' ' A' ' 645' ' ' THR . 0.6 OUTLIER -104.83 166.14 10.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.897 -179.899 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 634' ' ' THR . . . . . . . . . . . . . 65.7 p -153.68 144.66 22.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.119 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 635' ' ' TYR . . . . . . . . . . . . . 50.3 p90 -175.06 139.27 0.47 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.941 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 636' ' ' ALA . . . . . 0.464 ' CB ' HD11 ' A' ' 642' ' ' LEU . . . -107.36 148.17 29.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.147 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 637' ' ' PHE . . . . . 0.403 ' CE2' ' HB2' ' A' ' 638' ' ' TYR . 36.6 t80 -111.06 143.61 41.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.95 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 638' ' ' TYR . . . . . 0.512 ' HB3' ' CE2' ' A' ' 640' ' ' PHE . 4.9 t80 44.86 39.52 3.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.934 -179.835 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 639' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 54.43 48.63 20.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.909 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 640' ' ' PHE . . . . . 0.512 ' CE2' ' HB3' ' A' ' 638' ' ' TYR . 13.9 m-85 -103.58 176.09 5.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -57.77 117.74 4.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.887 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 642' ' ' LEU . . . . . 0.464 HD11 ' CB ' ' A' ' 636' ' ' ALA . 2.5 tp -61.21 137.12 58.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.926 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 643' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -117.66 123.03 45.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.915 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 644' ' ' THR . . . . . . . . . . . . . 59.7 m -77.32 111.94 13.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.175 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 645' ' ' THR . . . . . 0.498 ' CG2' ' O ' ' A' ' 633' ' ' CYS . 52.5 p -51.75 150.85 6.73 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.602 0.715 . . . . 0.0 111.137 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 646' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 124.0 10.65 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.723 2.282 . . . . 0.0 112.303 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 647' ' ' VAL . . . . . . . . . . . . . 39.7 t -68.92 134.59 29.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.138 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 99.0 t -143.26 134.52 23.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.171 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 649' ' ' ARG . . . . . . . . . . . . . 7.7 ptt-85 -89.79 120.65 31.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.926 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 650' ' ' GLY . . . . . . . . . . . . . . . 159.08 169.41 22.39 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.462 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 651' ' ' LEU . . . . . 0.452 HD11 ' CD2' ' A' ' 621' ' ' LEU . 4.3 mm? -80.61 -61.09 2.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.832 0.348 . . . . 0.0 110.914 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 652' ' ' HIS . . . . . . . . . . . . . 6.5 m-70 -114.1 66.65 1.51 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.64 0.733 . . . . 0.0 110.837 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 653' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 169.95 17.72 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.682 2.254 . . . . 0.0 112.34 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 654' ' ' GLU . . . . . 0.409 ' O ' ' C ' ' A' ' 655' ' ' TYR . 5.2 mm-40 -125.35 77.29 1.63 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 655' ' ' TYR . . . . . 0.409 ' C ' ' O ' ' A' ' 654' ' ' GLU . 69.4 m-85 -36.83 -44.65 0.5 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.928 -179.847 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 4.8 m120 55.05 44.99 27.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.919 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 657' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -104.32 104.93 14.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.899 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 5.3 m -108.95 135.33 50.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.164 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 46.5 p -124.28 144.05 50.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.828 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 56.2 mt-30 -143.17 124.54 14.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.908 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 661' ' ' TYR . . . . . . . . . . . . . 91.8 m-85 -147.06 123.73 11.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.896 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 662' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -73.22 101.59 3.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.942 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 663' ' ' VAL . . . . . . . . . . . . . 29.6 m -104.13 116.9 48.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.124 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 664' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -83.32 99.74 10.21 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.831 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 665' ' ' VAL . . . . . 0.443 ' CG2' ' HB2' ' A' ' 669' ' ' PHE . 7.3 p -145.69 166.75 9.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.111 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 666' ' ' ASN . . . . . . . . . . . . . 12.8 m-80 -113.49 -174.97 2.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.913 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 667' ' ' ASP . . . . . 0.416 ' O ' ' C ' ' A' ' 668' ' ' LEU . 4.0 t70 -41.47 -44.12 2.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 668' ' ' LEU . . . . . 0.416 ' C ' ' O ' ' A' ' 667' ' ' ASP . 33.4 mt -35.51 -38.28 0.11 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 669' ' ' PHE . . . . . 0.443 ' HB2' ' CG2' ' A' ' 665' ' ' VAL . 7.0 t80 -50.52 -51.59 46.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.846 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 670' ' ' LEU . . . . . . . . . . . . . 61.7 mt -42.43 -40.94 2.73 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 671' ' ' GLN . . . . . . . . . . . . . 10.9 mm100 -51.83 -52.35 49.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.913 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 672' ' ' TYR . . . . . 0.466 ' CD1' ' C ' ' A' ' 672' ' ' TYR . 1.4 t80 -43.45 -45.25 6.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 -179.855 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 673' ' ' ILE . . . . . 0.467 ' CD1' HD13 ' A' ' 703' ' ' ILE . 8.8 mt -62.75 -37.46 79.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.172 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 674' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -73.28 -61.57 1.78 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.893 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 675' ' ' LYS . . . . . . . . . . . . . 6.1 mtpm? -60.52 -68.79 0.27 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.923 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 676' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -90.35 161.72 15.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.856 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 4.7 p -137.85 162.54 33.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.139 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 678' ' ' ILE . . . . . 0.445 ' O ' ' N ' ' A' ' 698' ' ' LEU . 4.6 mp -91.06 142.62 12.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.122 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 19.9 m -114.13 127.93 56.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.156 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 680' ' ' LEU . . . . . . . . . . . . . 6.8 tt -132.14 100.97 5.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.958 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 681' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -97.98 150.98 20.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.924 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 682' ' ' VAL . . . . . . . . . . . . . 69.6 t -123.37 116.81 49.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.113 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 683' ' ' HIS . . . . . 0.651 ' NE2' ' CE2' ' A' ' 632' ' ' PHE . 0.1 OUTLIER -114.49 156.41 24.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.855 179.924 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 684' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -89.42 142.58 27.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -98.17 109.15 21.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.093 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 686' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -99.14 168.02 10.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.886 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 687' ' ' SER . . . . . . . . . . . . . 39.1 t -50.55 -61.02 2.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.846 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 688' ' ' THR . . . . . . . . . . . . . 73.2 p -132.15 32.87 3.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.151 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 689' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -141.44 156.78 45.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 690' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -148.9 119.37 7.39 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.963 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 691' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -149.48 151.92 34.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.923 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 692' ' ' THR . . . . . . . . . . . . . 1.8 m -82.57 145.21 29.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.142 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 693' ' ' ILE . . . . . 0.4 HD12 ' C ' ' A' ' 693' ' ' ILE . 2.8 pp -126.44 -7.78 5.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.163 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 694' ' ' ALA . . . . . 0.423 ' N ' HG21 ' A' ' 719' ' ' THR . . . -165.91 149.94 8.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.106 179.824 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 695' ' ' ALA . . . . . . . . . . . . . . . -151.87 134.79 15.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.155 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 696' ' ' CYS . . . . . . . . . . . . . 16.7 p -146.44 165.47 29.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.867 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 697' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -117.69 112.09 20.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.926 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 698' ' ' LEU . . . . . 0.445 ' N ' ' O ' ' A' ' 678' ' ' ILE . 21.3 mt -70.05 125.52 26.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.922 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 699' ' ' LYS . . . . . . . . . . . . . 7.6 ptpt -150.14 129.53 12.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.919 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 700' ' ' PHE . . . . . 0.549 ' CD1' ' CE1' ' A' ' 733' ' ' PHE . 2.1 m-85 -108.38 125.26 51.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.861 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 701' ' ' HIS . . . . . . . . . . . . . 37.9 m-70 -89.26 -60.79 1.85 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.836 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 702' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -51.32 -29.14 14.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.904 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 703' ' ' ILE . . . . . 0.492 HG13 ' CD2' ' A' ' 733' ' ' PHE . 0.0 OUTLIER -54.51 -27.7 17.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.121 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 704' ' ' LEU . . . . . 0.482 HD21 ' CG2' ' A' ' 703' ' ' ILE . 4.2 mm? -74.46 -50.52 18.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.913 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 705' ' ' GLU . . . . . 0.409 ' CG ' ' H ' ' A' ' 706' ' ' LYS . 13.2 pt-20 -73.18 -56.53 4.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.936 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 706' ' ' LYS . . . . . 0.409 ' H ' ' CG ' ' A' ' 705' ' ' GLU . 14.7 mttp -89.05 147.61 24.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.884 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 707' ' ' SER . . . . . . . . . . . . . 15.0 m -122.13 108.7 13.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.844 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 708' ' ' GLY . . . . . . . . . . . . . . . 137.55 -149.73 20.47 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.512 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 709' ' ' ARG . . . . . 0.454 ' CD ' ' O ' ' A' ' 709' ' ' ARG . 0.9 OUTLIER -60.52 117.13 4.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.805 0.336 . . . . 0.0 110.865 -179.889 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 710' ' ' ILE . . . . . 0.427 ' CD1' ' HA ' ' A' ' 703' ' ' ILE . 41.2 mt -138.69 110.71 5.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.17 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 711' ' ' PHE . . . . . . . . . . . . . 38.3 m-85 -79.23 127.8 32.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.88 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 712' ' ' CYS . . . . . . . . . . . . . 1.8 m -154.91 173.24 16.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.836 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 713' ' ' THR . . . . . . . . . . . . . 37.8 p -146.31 166.72 25.45 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.115 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 714' ' ' ALA . . . . . . . . . . . . . . . -136.21 137.53 40.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.118 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 715' ' ' SER . . . . . . . . . . . . . 63.6 m -78.56 149.49 33.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.812 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 716' ' ' LEU . . . . . . . . . . . . . 10.2 mt -116.69 139.48 50.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.912 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 717' ' ' ILE . . . . . . . . . . . . . 4.5 mp -123.71 122.4 64.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.193 179.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 718' ' ' GLY . . . . . . . . . . . . . . . -49.84 170.0 0.18 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.519 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 719' ' ' THR . . . . . 0.423 HG21 ' N ' ' A' ' 694' ' ' ALA . 34.3 p -111.31 -24.22 10.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.888 0.375 . . . . 0.0 111.182 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 720' ' ' LYS . . . . . 0.463 ' N ' ' HD3' ' A' ' 720' ' ' LYS . 0.0 OUTLIER -95.09 -71.81 0.65 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 179.891 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 721' ' ' GLY . . . . . 0.419 ' O ' ' C ' ' A' ' 722' ' ' ASP . . . -82.93 20.67 9.1 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.776 -0.725 . . . . 0.0 112.489 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 722' ' ' ASP . . . . . 0.419 ' C ' ' O ' ' A' ' 721' ' ' GLY . 7.1 m-20 36.18 45.0 0.3 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.798 0.332 . . . . 0.0 110.884 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 723' ' ' ILE . . . . . . . . . . . . . 56.6 mt -69.65 112.82 13.4 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.609 0.718 . . . . 0.0 111.123 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 724' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -46.26 1.3 Allowed 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.687 2.258 . . . . 0.0 112.312 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 725' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 -92.1 48.91 1.46 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.904 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 726' ' ' PHE . . . . . 0.463 ' CE1' HG23 ' A' ' 620' ' ' VAL . 27.6 t80 -67.01 -37.47 84.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.906 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 727' ' ' GLY . . . . . . . . . . . . . . . 159.0 172.92 26.72 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.476 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 728' ' ' THR . . . . . . . . . . . . . 2.7 m -120.01 144.16 47.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.892 0.377 . . . . 0.0 111.136 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 729' ' ' VAL . . . . . . . . . . . . . 13.0 p -102.19 134.58 42.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.096 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -105.52 107.02 17.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.882 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 731' ' ' TYR . . . . . . . . . . . . . 5.0 p90 -127.72 176.1 7.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 732' ' ' TRP . . . . . 0.534 ' CZ2' ' HB2' ' A' ' 734' ' ' ARG . 7.2 t90 -153.36 137.42 16.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.935 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 733' ' ' PHE . . . . . 0.549 ' CE1' ' CD1' ' A' ' 700' ' ' PHE . 19.3 p90 -133.98 152.99 52.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.879 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 734' ' ' ARG . . . . . 0.534 ' HB2' ' CZ2' ' A' ' 732' ' ' TRP . 18.1 ttp180 -145.88 131.16 18.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.854 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 735' ' ' LEU . . . . . . . . . . . . . 12.7 tp -128.52 107.67 9.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 736' ' ' ARG . . . . . 0.405 ' O ' ' C ' ' A' ' 737' ' ' VAL . 16.1 tpp180 -142.06 151.11 42.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.826 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 737' ' ' VAL . . . . . 0.405 ' C ' ' O ' ' A' ' 736' ' ' ARG . 1.5 p -37.68 -40.46 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.129 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 738' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.847 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 604' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.847 0.356 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 605' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -113.95 128.17 56.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 606' ' ' LEU . . . . . . . . . . . . . 45.9 tp -93.24 130.37 38.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 607' ' ' PHE . . . . . 0.79 ' CD1' ' CZ ' ' A' ' 637' ' ' PHE . 19.6 t80 -137.0 139.73 41.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 608' ' ' GLU . . . . . 0.584 ' OE2' ' CH2' ' A' ' 732' ' ' TRP . 3.0 pp20? -154.52 165.58 36.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.894 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 609' ' ' ILE . . . . . 0.53 HD13 ' CE1' ' A' ' 637' ' ' PHE . 5.3 mp -139.15 114.47 8.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.142 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 610' ' ' HIS . . . . . 0.444 ' HB3' ' NE1' ' A' ' 732' ' ' TRP . 8.6 t60 -99.63 116.31 31.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.833 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 49.2 mm -87.54 117.78 32.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.161 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 612' ' ' ASN . . . . . . . . . . . . . 44.3 t-20 -72.19 -62.75 1.32 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.884 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 613' ' ' LYS . . . . . . . . . . . . . 14.5 pttp -170.43 176.41 4.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.863 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 614' ' ' VAL . . . . . . . . . . . . . 88.6 t -115.08 115.47 49.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.143 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 615' ' ' THR . . . . . . . . . . . . . 95.3 m -87.26 135.72 33.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.162 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 616' ' ' PHE . . . . . 0.491 ' CD1' HG13 ' A' ' 620' ' ' VAL . 33.4 m-85 -112.24 166.71 11.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.893 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -125.78 163.31 23.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.846 -179.808 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 618' ' ' SER . . . . . . . . . . . . . 73.4 m -39.89 -60.62 0.98 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.873 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 619' ' ' GLU . . . . . . . . . . . . . 44.0 mm-40 -41.54 -35.96 0.82 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 620' ' ' VAL . . . . . 0.532 HG22 ' CE1' ' A' ' 726' ' ' PHE . 5.4 t -82.38 -56.34 6.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.105 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 621' ' ' LEU . . . . . 0.459 ' CD2' HD12 ' A' ' 651' ' ' LEU . 15.9 mt -46.82 -39.62 12.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 622' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -74.38 -49.38 22.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.919 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -43.31 -48.07 6.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.063 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 22.8 t -77.2 -43.52 33.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.855 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 625' ' ' GLY . . . . . . . . . . . . . . . 112.84 -163.0 12.19 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.459 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 626' ' ' ASP . . . . . . . . . . . . . 57.0 m-20 -83.82 41.37 0.79 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.841 0.353 . . . . 0.0 110.862 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 19.0 mmtp -123.49 176.98 5.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.927 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -103.3 99.4 14.68 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.677 0.751 . . . . 0.0 110.893 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 629' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 110.38 2.54 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.704 2.269 . . . . 0.0 112.312 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 630' ' ' VAL . . . . . 0.464 ' CG1' HG21 ' A' ' 647' ' ' VAL . 11.2 t -86.8 120.6 36.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.15 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 631' ' ' THR . . . . . . . . . . . . . 44.4 p -145.03 170.76 15.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.148 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 632' ' ' PHE . . . . . . . . . . . . . 25.1 p90 -155.42 152.94 29.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.905 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 633' ' ' CYS . . . . . . . . . . . . . 73.8 m -94.31 139.37 31.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.852 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 634' ' ' THR . . . . . . . . . . . . . 67.0 p -142.21 125.74 16.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.165 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 635' ' ' TYR . . . . . . . . . . . . . 18.6 p90 -170.2 169.57 7.74 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.955 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 636' ' ' ALA . . . . . . . . . . . . . . . -116.24 152.45 33.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.088 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 637' ' ' PHE . . . . . 0.79 ' CZ ' ' CD1' ' A' ' 607' ' ' PHE . 55.4 t80 -118.92 118.9 32.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.866 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 638' ' ' TYR . . . . . . . . . . . . . 6.3 t80 70.07 32.12 3.08 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.92 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 639' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 62.65 35.31 14.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.854 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 640' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -96.66 179.42 4.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -61.46 125.17 22.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.865 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 642' ' ' LEU . . . . . . . . . . . . . 1.6 tp -54.45 137.02 43.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.906 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 643' ' ' GLN . . . . . . . . . . . . . 7.7 tp-100 -113.44 119.56 38.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.901 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 644' ' ' THR . . . . . . . . . . . . . 49.3 m -85.17 121.5 28.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.167 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 645' ' ' THR . . . . . . . . . . . . . 52.1 p -79.13 153.1 77.11 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.578 0.704 . . . . 0.0 111.153 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 646' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 103.06 1.1 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.668 2.245 . . . . 0.0 112.343 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 647' ' ' VAL . . . . . 0.464 HG21 ' CG1' ' A' ' 630' ' ' VAL . 9.5 p -68.72 138.77 21.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.12 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 648' ' ' VAL . . . . . 0.464 HG21 ' CB ' ' A' ' 653' ' ' PRO . 31.3 m -136.09 158.9 38.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.117 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 649' ' ' ARG . . . . . 0.412 ' N ' ' HD2' ' A' ' 649' ' ' ARG . 3.3 mpt_? -85.4 149.2 25.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.837 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 650' ' ' GLY . . . . . . . . . . . . . . . 125.01 166.45 12.37 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.477 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 651' ' ' LEU . . . . . 0.471 ' N ' HD21 ' A' ' 651' ' ' LEU . 4.3 mm? -80.49 -65.61 0.99 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.825 0.345 . . . . 0.0 110.858 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 652' ' ' HIS . . . . . 0.438 ' CE1' ' H ' ' A' ' 616' ' ' PHE . 18.2 m170 -111.9 64.42 0.65 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.591 0.71 . . . . 0.0 110.852 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 653' ' ' PRO . . . . . 0.464 ' CB ' HG21 ' A' ' 648' ' ' VAL . 54.1 Cg_endo -69.75 -174.06 0.83 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.653 2.235 . . . . 0.0 112.348 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -135.03 103.87 5.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.882 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 655' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -71.94 -56.92 4.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.922 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 63.38 40.56 8.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.864 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 657' ' ' PHE . . . . . 0.519 ' CZ ' ' HB2' ' A' ' 659' ' ' SER . 3.5 t80 -84.41 135.57 34.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.85 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 39.3 m -135.52 136.88 41.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.169 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 659' ' ' SER . . . . . 0.519 ' HB2' ' CZ ' ' A' ' 657' ' ' PHE . 1.6 t -152.42 121.32 6.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.843 -179.853 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -110.28 147.58 33.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.879 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 661' ' ' TYR . . . . . . . . . . . . . 38.6 m-85 -150.76 132.87 15.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.916 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 662' ' ' LEU . . . . . 0.42 HD13 ' C ' ' A' ' 662' ' ' LEU . 0.4 OUTLIER -72.63 114.29 10.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.959 179.916 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 663' ' ' VAL . . . . . . . . . . . . . 15.4 m -115.64 119.18 61.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.1 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 664' ' ' HIS . . . . . . . . . . . . . 28.8 p-80 -88.26 97.66 11.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.852 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 665' ' ' VAL . . . . . 0.503 HG13 ' CD2' ' A' ' 669' ' ' PHE . 1.1 p -146.15 153.95 13.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.108 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 666' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -102.31 -174.04 2.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 667' ' ' ASP . . . . . 0.494 ' O ' ' N ' ' A' ' 669' ' ' PHE . 2.4 m-20 -41.55 -43.66 2.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 668' ' ' LEU . . . . . 0.457 ' C ' ' O ' ' A' ' 667' ' ' ASP . 4.3 mm? -33.95 -33.94 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 669' ' ' PHE . . . . . 0.503 ' CD2' HG13 ' A' ' 665' ' ' VAL . 42.1 t80 -53.1 -50.66 63.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.874 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 670' ' ' LEU . . . . . . . . . . . . . 38.9 mt -43.33 -45.22 5.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 671' ' ' GLN . . . . . 0.413 ' O ' ' C ' ' A' ' 672' ' ' TYR . 35.1 mt-30 -56.94 -58.48 7.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.923 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 672' ' ' TYR . . . . . 0.441 ' CD1' ' C ' ' A' ' 672' ' ' TYR . 0.3 OUTLIER -37.07 -37.71 0.17 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.895 -179.806 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 673' ' ' ILE . . . . . 0.404 ' CD1' HD12 ' A' ' 703' ' ' ILE . 88.7 mt -61.19 -55.16 26.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.149 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 674' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -68.15 -45.7 72.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 675' ' ' LYS . . . . . . . . . . . . . 33.8 mmtt -58.5 -64.87 0.77 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.92 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 676' ' ' ASN . . . . . 0.4 ' O ' ' O ' ' A' ' 673' ' ' ILE . 9.6 m-20 -111.4 164.22 13.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.893 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 20.0 p -125.55 164.57 20.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.128 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 678' ' ' ILE . . . . . . . . . . . . . 17.5 mt -87.46 133.08 31.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.135 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 55.6 m -100.57 107.85 19.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.164 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 680' ' ' LEU . . . . . . . . . . . . . 6.1 tt -119.72 102.26 8.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.874 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 681' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 -106.87 137.01 45.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.897 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 682' ' ' VAL . . . . . . . . . . . . . 97.6 t -108.67 108.11 24.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.098 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 683' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -95.5 155.11 16.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.83 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 684' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -83.62 159.3 21.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.947 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -115.52 104.73 12.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.075 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 686' ' ' TYR . . . . . 0.599 ' CE1' ' OE1' ' A' ' 691' ' ' GLU . 39.2 p90 -128.67 132.29 48.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.962 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 687' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 686' ' ' TYR . 78.5 p 36.32 46.98 0.44 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.883 -179.85 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 688' ' ' THR . . . . . . . . . . . . . 2.3 p 62.77 38.57 11.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.154 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 689' ' ' GLU . . . . . 0.569 ' HB2' ' CE2' ' A' ' 686' ' ' TYR . 20.6 mt-10 -131.2 155.54 46.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 690' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -132.8 137.18 46.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.941 -179.856 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 691' ' ' GLU . . . . . 0.599 ' OE1' ' CE1' ' A' ' 686' ' ' TYR . 12.6 pt-20 -144.61 114.56 7.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.902 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 692' ' ' THR . . . . . . . . . . . . . 10.5 m -46.38 102.59 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.155 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 693' ' ' ILE . . . . . . . . . . . . . 2.6 pp -95.74 -35.04 5.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.126 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -142.15 145.03 33.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.102 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 695' ' ' ALA . . . . . . . . . . . . . . . -135.06 150.15 50.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.095 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 696' ' ' CYS . . . . . . . . . . . . . 22.0 p -156.32 160.0 39.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 697' ' ' GLN . . . . . . . . . . . . . 65.4 mm-40 -117.8 117.24 28.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.958 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 698' ' ' LEU . . . . . . . . . . . . . 15.7 mt -84.55 132.58 34.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.938 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 699' ' ' LYS . . . . . . . . . . . . . 8.6 ptpt -151.74 134.53 15.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 700' ' ' PHE . . . . . 0.694 ' CD2' ' CD1' ' A' ' 733' ' ' PHE . 3.4 m-85 -107.25 125.88 51.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.888 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 701' ' ' HIS . . . . . . . . . . . . . 29.2 m-70 -91.68 -55.43 3.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.878 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 702' ' ' GLU . . . . . . . . . . . . . 43.9 mm-40 -47.24 -43.43 21.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 703' ' ' ILE . . . . . 0.542 ' HB ' ' CE2' ' A' ' 733' ' ' PHE . 17.8 tt -46.29 -29.44 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.1 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 704' ' ' LEU . . . . . . . . . . . . . 17.5 mt -56.85 -40.19 75.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.945 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 705' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -103.46 -47.8 4.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 706' ' ' LYS . . . . . . . . . . . . . 85.2 mttt -89.99 -179.72 5.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 707' ' ' SER . . . . . . . . . . . . . 47.8 m -159.07 105.13 1.73 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.858 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 708' ' ' GLY . . . . . . . . . . . . . . . 142.42 -153.34 24.41 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.536 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 709' ' ' ARG . . . . . 0.417 ' C ' HG13 ' A' ' 710' ' ' ILE . 13.0 ttm180 -61.55 116.7 4.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.776 0.322 . . . . 0.0 110.888 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 710' ' ' ILE . . . . . 0.417 HG13 ' C ' ' A' ' 709' ' ' ARG . 23.6 mt -141.27 114.6 4.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.109 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 711' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -58.61 117.29 4.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 712' ' ' CYS . . . . . . . . . . . . . 1.7 p -148.22 168.12 23.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.934 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 713' ' ' THR . . . . . . . . . . . . . 52.4 p -150.28 168.83 22.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.093 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 714' ' ' ALA . . . . . . . . . . . . . . . -137.65 153.86 49.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.094 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 715' ' ' SER . . . . . . . . . . . . . 41.3 p -93.43 160.4 14.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.856 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 716' ' ' LEU . . . . . . . . . . . . . 15.0 mt -125.02 140.03 53.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.938 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 717' ' ' ILE . . . . . 0.445 ' N ' HD13 ' A' ' 717' ' ' ILE . 4.6 mp -128.66 132.29 67.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.132 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 718' ' ' GLY . . . . . . . . . . . . . . . -74.78 137.84 22.94 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.49 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 719' ' ' THR . . . . . . . . . . . . . 19.7 p -78.03 -61.47 1.99 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.876 0.37 . . . . 0.0 111.141 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 720' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.39 42.85 0.77 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.94 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 721' ' ' GLY . . . . . . . . . . . . . . . -167.95 -31.36 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.458 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 722' ' ' ASP . . . . . . . . . . . . . 27.6 t70 65.41 41.72 4.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.781 0.324 . . . . 0.0 110.856 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 723' ' ' ILE . . . . . . . . . . . . . 67.3 mt -95.86 109.65 47.47 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.588 0.709 . . . . 0.0 111.12 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 724' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -32.53 18.3 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.67 2.246 . . . . 0.0 112.343 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 725' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -87.44 37.27 0.77 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.913 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 726' ' ' PHE . . . . . 0.532 ' CE1' HG22 ' A' ' 620' ' ' VAL . 5.2 t80 -62.68 -50.44 71.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 727' ' ' GLY . . . . . . . . . . . . . . . 161.83 177.88 35.26 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.511 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 728' ' ' THR . . . . . . . . . . . . . 7.8 m -126.68 147.27 49.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.823 0.344 . . . . 0.0 111.103 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 729' ' ' VAL . . . . . . . . . . . . . 12.8 p -106.43 142.09 20.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.123 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -108.72 124.2 50.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.861 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 731' ' ' TYR . . . . . . . . . . . . . 4.7 p90 -156.34 163.7 39.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.92 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 732' ' ' TRP . . . . . 0.584 ' CH2' ' OE2' ' A' ' 608' ' ' GLU . 57.6 p-90 -139.93 125.08 18.72 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.918 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 733' ' ' PHE . . . . . 0.694 ' CD1' ' CD2' ' A' ' 700' ' ' PHE . 38.0 p90 -106.13 158.03 17.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 734' ' ' ARG . . . . . . . . . . . . . 51.3 ttt180 -148.9 116.31 6.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.827 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 735' ' ' LEU . . . . . . . . . . . . . 8.5 tp -113.65 104.81 12.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.925 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 736' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? -152.66 153.89 34.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.838 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 737' ' ' VAL . . . . . . . . . . . . . 8.1 p -57.65 137.09 20.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.129 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 738' ' ' SER . . . . . . . . . . . . . 24.4 p . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.826 -179.82 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 604' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 . . . . . 0 N--CA 1.458 -0.07 0 CA-C-O 120.846 0.355 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 605' ' ' ASN . . . . . . . . . . . . . 36.6 m-80 -115.1 165.16 13.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 606' ' ' LEU . . . . . . . . . . . . . 5.5 tp -141.59 131.07 23.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.934 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 607' ' ' PHE . . . . . 0.502 ' CD2' HD11 ' A' ' 609' ' ' ILE . 9.8 t80 -120.33 134.17 55.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.851 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 608' ' ' GLU . . . . . 0.495 ' OE1' ' N ' ' A' ' 608' ' ' GLU . 13.6 pm0 -140.21 139.44 35.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.905 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 609' ' ' ILE . . . . . 0.502 HD11 ' CD2' ' A' ' 607' ' ' PHE . 5.3 mp -123.73 112.7 34.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.123 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 610' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -96.91 134.34 40.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.816 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 45.5 mm -99.13 103.78 15.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.095 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 612' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -58.52 -66.33 0.51 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 613' ' ' LYS . . . . . . . . . . . . . 6.7 pttp -166.95 178.16 5.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 614' ' ' VAL . . . . . . . . . . . . . 98.1 t -125.61 127.81 71.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.114 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 615' ' ' THR . . . . . . . . . . . . . 31.3 m -108.64 143.89 37.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.13 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 616' ' ' PHE . . . . . 0.478 ' HB3' ' CG2' ' A' ' 620' ' ' VAL . 42.6 m-85 -124.07 167.83 13.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.895 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 617' ' ' SER . . . . . 0.494 ' O ' ' N ' ' A' ' 619' ' ' GLU . 23.2 t -114.24 154.95 27.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.865 -179.834 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 618' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 617' ' ' SER . 13.1 t -35.84 -30.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.8 -179.843 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 619' ' ' GLU . . . . . 0.494 ' N ' ' O ' ' A' ' 617' ' ' SER . 7.3 mm-40 -45.45 -68.47 0.19 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.858 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 620' ' ' VAL . . . . . 0.478 ' CG2' ' HB3' ' A' ' 616' ' ' PHE . 3.3 m -66.6 -44.01 90.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.109 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 621' ' ' LEU . . . . . 0.478 ' N ' ' CG2' ' A' ' 620' ' ' VAL . 12.5 mt -39.61 -41.04 0.98 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.925 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 622' ' ' GLN . . . . . . . . . . . . . 9.0 mm-40 -78.0 -43.71 28.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.915 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -49.58 -44.73 47.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.111 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 19.2 m -77.66 -62.46 1.66 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 625' ' ' GLY . . . . . . . . . . . . . . . 115.37 -149.49 18.84 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.478 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 626' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -85.22 43.42 1.01 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.902 0.382 . . . . 0.0 110.86 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 28.4 pttt -129.22 161.64 29.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -97.22 103.16 14.45 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.661 0.743 . . . . 0.0 110.892 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 629' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 114.98 3.88 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.726 2.284 . . . . 0.0 112.37 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 630' ' ' VAL . . . . . 0.469 HG11 ' CG2' ' A' ' 647' ' ' VAL . 13.0 t -89.82 124.46 42.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.159 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 631' ' ' THR . . . . . 0.465 ' CG2' ' HG2' ' A' ' 684' ' ' GLN . 81.1 p -143.04 163.32 33.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.12 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 632' ' ' PHE . . . . . 0.403 ' CD1' ' O ' ' A' ' 632' ' ' PHE . 15.3 p90 -147.88 141.5 25.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 633' ' ' CYS . . . . . . . . . . . . . 35.2 m -90.4 154.66 19.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.838 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 634' ' ' THR . . . . . . . . . . . . . 6.3 p -154.17 132.81 12.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.164 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 635' ' ' TYR . . . . . . . . . . . . . 10.5 p90 -160.87 177.78 10.06 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.919 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 636' ' ' ALA . . . . . . . . . . . . . . . -151.14 155.13 38.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.114 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 637' ' ' PHE . . . . . 0.569 ' O ' ' CD2' ' A' ' 640' ' ' PHE . 14.1 t80 -112.76 138.99 48.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.921 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 638' ' ' TYR . . . . . 0.552 ' HB2' ' CE2' ' A' ' 640' ' ' PHE . 16.9 m-85 42.84 40.49 2.13 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.915 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 639' ' ' ASP . . . . . . . . . . . . . 45.0 m-20 58.33 37.66 25.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.853 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 640' ' ' PHE . . . . . 0.569 ' CD2' ' O ' ' A' ' 637' ' ' PHE . 16.6 m-85 -89.81 175.02 7.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.927 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -52.11 129.14 26.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 642' ' ' LEU . . . . . . . . . . . . . 8.3 tp -65.31 141.58 58.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.911 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 643' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -113.32 115.95 28.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 644' ' ' THR . . . . . . . . . . . . . 31.6 m -84.65 112.7 20.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.132 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 645' ' ' THR . . . . . . . . . . . . . 20.3 p -70.81 154.82 94.08 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.577 0.703 . . . . 0.0 111.127 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 646' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.85 106.24 1.64 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.669 2.246 . . . . 0.0 112.353 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 647' ' ' VAL . . . . . 0.469 ' CG2' HG11 ' A' ' 630' ' ' VAL . 11.4 p -68.79 135.69 27.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.146 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 12.0 t -129.75 145.51 35.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.108 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 649' ' ' ARG . . . . . . . . . . . . . 29.5 mtm180 -84.67 116.19 23.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.845 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 650' ' ' GLY . . . . . . . . . . . . . . . 151.74 176.49 24.54 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.464 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 651' ' ' LEU . . . . . 0.412 ' C ' ' HD3' ' A' ' 653' ' ' PRO . 38.1 mt -85.28 -59.21 2.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.816 0.341 . . . . 0.0 110.952 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 652' ' ' HIS . . . . . . . . . . . . . 4.1 m170 -111.39 66.31 0.61 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.603 0.716 . . . . 0.0 110.845 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 653' ' ' PRO . . . . . 0.412 ' HD3' ' C ' ' A' ' 651' ' ' LEU . 53.4 Cg_endo -69.79 163.8 36.94 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.663 2.242 . . . . 0.0 112.346 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -114.28 82.11 1.65 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.872 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 655' ' ' TYR . . . . . . . . . . . . . 31.4 m-85 -52.51 -56.53 14.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.92 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 56.8 m-20 60.0 45.05 12.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.9 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 657' ' ' PHE . . . . . 0.562 ' CZ ' ' HB2' ' A' ' 659' ' ' SER . 51.9 t80 -104.13 124.14 48.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -125.94 100.16 6.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.136 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 659' ' ' SER . . . . . 0.562 ' HB2' ' CZ ' ' A' ' 657' ' ' PHE . 7.4 t -93.68 165.6 12.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.856 -179.844 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 -131.56 130.33 42.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.933 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 661' ' ' TYR . . . . . . . . . . . . . 68.1 m-85 -125.77 119.66 28.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.948 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 662' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -79.15 109.82 13.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.957 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 663' ' ' VAL . . . . . . . . . . . . . 33.2 m -130.94 114.57 27.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.092 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 664' ' ' HIS . . . . . 0.575 ' CG ' ' O ' ' A' ' 664' ' ' HIS . 15.9 p-80 -94.23 102.55 14.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.871 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 665' ' ' VAL . . . . . 0.503 ' CG1' ' O ' ' A' ' 664' ' ' HIS . 4.5 m -165.51 165.53 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.113 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 666' ' ' ASN . . . . . . . . . . . . . 51.9 t30 -134.32 -63.01 0.73 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.896 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 667' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -81.2 -47.15 13.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.835 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 11.0 mp -57.99 -16.87 14.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 669' ' ' PHE . . . . . . . . . . . . . 19.3 t80 -77.9 -41.53 36.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 670' ' ' LEU . . . . . . . . . . . . . 15.0 mt -72.49 -59.82 2.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.975 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 671' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -54.17 -18.33 3.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.934 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 672' ' ' TYR . . . . . 0.457 ' CD1' ' C ' ' A' ' 672' ' ' TYR . 1.1 t80 -80.44 -35.18 35.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.962 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 673' ' ' ILE . . . . . 0.437 ' CD1' HD13 ' A' ' 703' ' ' ILE . 98.3 mt -78.52 -24.24 13.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.165 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 674' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -87.65 -61.93 1.61 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.906 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 675' ' ' LYS . . . . . . . . . . . . . 54.3 mttm -58.03 -62.41 1.84 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.847 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 676' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -103.85 166.8 10.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.858 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 35.0 p -139.54 176.52 8.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.088 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 678' ' ' ILE . . . . . . . . . . . . . 12.8 mt -88.98 152.71 3.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.159 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 23.8 m -119.07 104.26 10.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.148 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 680' ' ' LEU . . . . . . . . . . . . . 7.6 tt -120.69 104.36 9.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.947 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 681' ' ' GLU . . . . . 0.538 ' HB2' ' CE1' ' A' ' 683' ' ' HIS . 4.0 mp0 -107.19 143.35 35.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 682' ' ' VAL . . . . . . . . . . . . . 91.4 t -101.14 104.54 16.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.126 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 683' ' ' HIS . . . . . 0.538 ' CE1' ' HB2' ' A' ' 681' ' ' GLU . 10.8 m-70 -99.43 135.87 40.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.832 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 684' ' ' GLN . . . . . 0.465 ' HG2' ' CG2' ' A' ' 631' ' ' THR . 31.5 mt-30 -86.5 121.87 29.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.919 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -88.78 102.54 15.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.132 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 686' ' ' TYR . . . . . 0.553 ' CD2' ' O ' ' A' ' 689' ' ' GLU . 2.9 m-85 -79.4 168.92 18.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 -179.814 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 687' ' ' SER . . . . . . . . . . . . . 62.7 m -72.75 3.64 4.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.836 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 688' ' ' THR . . . . . . . . . . . . . 35.3 p -133.67 -63.58 0.74 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.158 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 689' ' ' GLU . . . . . 0.553 ' O ' ' CD2' ' A' ' 686' ' ' TYR . 6.2 tt0 -130.7 179.26 6.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 690' ' ' TYR . . . . . 0.477 ' CD1' ' N ' ' A' ' 690' ' ' TYR . 0.1 OUTLIER -139.96 136.36 33.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.926 -179.841 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 691' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -139.45 152.97 47.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.878 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 692' ' ' THR . . . . . . . . . . . . . 8.6 m -67.03 138.95 57.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.161 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 693' ' ' ILE . . . . . . . . . . . . . 5.9 pt -128.08 -27.58 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.104 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -145.42 150.04 35.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.155 179.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 695' ' ' ALA . . . . . . . . . . . . . . . -152.29 138.47 18.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.12 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 696' ' ' CYS . . . . . . . . . . . . . 11.5 p -149.96 164.46 35.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.887 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 697' ' ' GLN . . . . . . . . . . . . . 53.3 mm-40 -115.24 111.7 21.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.95 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 698' ' ' LEU . . . . . . . . . . . . . 1.8 mt -74.45 136.35 42.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.902 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 699' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -153.7 130.96 11.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 700' ' ' PHE . . . . . 0.604 ' CD2' ' CE1' ' A' ' 733' ' ' PHE . 0.7 OUTLIER -109.88 124.97 52.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.843 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 701' ' ' HIS . . . . . . . . . . . . . 55.1 m-70 -89.42 -43.19 11.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.867 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 702' ' ' GLU . . . . . 0.457 ' CB ' HG22 ' A' ' 710' ' ' ILE . 5.6 mm-40 -50.55 -42.79 55.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 703' ' ' ILE . . . . . 0.437 HD13 ' CD1' ' A' ' 673' ' ' ILE . 8.9 tt -49.54 -17.34 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.104 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 704' ' ' LEU . . . . . . . . . . . . . 30.2 mt -75.58 -35.34 60.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.927 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 705' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -111.98 -51.07 2.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 706' ' ' LYS . . . . . . . . . . . . . 25.2 mttt -88.23 177.42 6.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.876 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 707' ' ' SER . . . . . . . . . . . . . 2.2 t -161.33 132.04 5.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.805 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 708' ' ' GLY . . . . . . . . . . . . . . . 107.35 -127.69 8.9 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.468 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 709' ' ' ARG . . . . . 0.408 ' C ' HG13 ' A' ' 710' ' ' ILE . 30.4 ttm180 -62.24 97.83 0.1 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.743 0.306 . . . . 0.0 110.893 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 710' ' ' ILE . . . . . 0.457 HG22 ' CB ' ' A' ' 702' ' ' GLU . 17.8 mt -140.48 115.3 6.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.159 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 711' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -93.65 140.41 29.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.843 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 712' ' ' CYS . . . . . . . . . . . . . 2.7 t -152.48 173.63 14.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.939 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 713' ' ' THR . . . . . . . . . . . . . 21.8 p -141.6 167.91 21.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.151 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 714' ' ' ALA . . . . . . . . . . . . . . . -150.24 140.86 22.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.137 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 715' ' ' SER . . . . . . . . . . . . . 48.0 m -80.74 162.29 24.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.891 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 716' ' ' LEU . . . . . . . . . . . . . 7.6 mt -131.44 133.96 45.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.965 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 717' ' ' ILE . . . . . 0.431 ' N ' HD13 ' A' ' 717' ' ' ILE . 4.3 mp -111.31 145.02 18.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.089 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 718' ' ' GLY . . . . . . . . . . . . . . . -79.01 127.96 8.3 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.525 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 719' ' ' THR . . . . . . . . . . . . . 17.4 p -49.68 -75.3 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.879 0.371 . . . . 0.0 111.164 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 720' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -103.03 30.85 4.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.89 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 721' ' ' GLY . . . . . . . . . . . . . . . -121.19 -19.34 3.58 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.507 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 722' ' ' ASP . . . . . . . . . . . . . 43.8 m-20 53.79 36.49 24.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.827 0.346 . . . . 0.0 110.868 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 723' ' ' ILE . . . . . . . . . . . . . 67.6 mt -104.43 106.34 53.72 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.631 0.729 . . . . 0.0 111.123 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 724' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -37.43 9.24 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.717 2.278 . . . . 0.0 112.339 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 725' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 -84.8 30.11 0.59 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 726' ' ' PHE . . . . . . . . . . . . . 8.9 t80 -52.57 -47.01 67.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 727' ' ' GLY . . . . . . . . . . . . . . . 159.65 157.99 8.9 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.504 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 728' ' ' THR . . . . . . . . . . . . . 2.5 m -107.25 142.98 36.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.822 0.344 . . . . 0.0 111.173 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 729' ' ' VAL . . . . . . . . . . . . . 13.0 p -103.72 138.47 28.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.122 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -110.46 102.81 11.4 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.861 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 731' ' ' TYR . . . . . . . . . . . . . 18.0 p90 -117.92 162.06 18.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 732' ' ' TRP . . . . . 0.574 ' CZ3' ' HG2' ' A' ' 734' ' ' ARG . 80.0 t90 -139.65 124.59 18.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.907 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 733' ' ' PHE . . . . . 0.604 ' CE1' ' CD2' ' A' ' 700' ' ' PHE . 23.4 p90 -119.3 159.19 24.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 734' ' ' ARG . . . . . 0.574 ' HG2' ' CZ3' ' A' ' 732' ' ' TRP . 8.6 ptt180 -148.04 122.18 9.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 735' ' ' LEU . . . . . . . . . . . . . 58.2 tp -108.49 104.63 14.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 736' ' ' ARG . . . . . 0.415 ' HE ' ' N ' ' A' ' 737' ' ' VAL . 0.0 OUTLIER -138.26 115.02 10.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.909 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 737' ' ' VAL . . . . . 0.415 ' N ' ' HE ' ' A' ' 736' ' ' ARG . 5.8 p -37.36 147.47 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.112 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 738' ' ' SER . . . . . . . . . . . . . 7.0 t . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.878 -179.891 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 604' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.527 0.066 0 CA-C-O 120.873 0.368 . . . . 0.0 110.896 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 605' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 -114.19 170.47 8.26 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 606' ' ' LEU . . . . . . . . . . . . . 19.5 tp -142.61 138.63 30.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.936 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 607' ' ' PHE . . . . . 0.566 ' CZ ' ' HB2' ' A' ' 733' ' ' PHE . 27.0 t80 -122.55 108.13 12.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.894 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 608' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -96.74 139.05 33.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.888 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 609' ' ' ILE . . . . . 0.573 HD12 ' CD1' ' A' ' 637' ' ' PHE . 30.1 mt -134.87 107.96 9.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.132 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 610' ' ' HIS . . . . . 0.581 ' CD2' ' C ' ' A' ' 610' ' ' HIS . 0.3 OUTLIER -113.45 139.09 49.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.852 179.906 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 41.4 mm -102.14 125.54 56.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.088 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 612' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -78.1 -67.32 0.74 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.855 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 613' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.9 179.21 3.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.884 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 614' ' ' VAL . . . . . . . . . . . . . 98.7 t -130.88 116.16 33.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.172 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 615' ' ' THR . . . . . . . . . . . . . 44.8 m -87.8 138.05 31.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.112 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 616' ' ' PHE . . . . . 0.499 ' HB3' ' CG2' ' A' ' 620' ' ' VAL . 40.8 m-85 -113.98 167.25 10.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.922 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 16.5 p -108.5 154.54 21.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.824 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 618' ' ' SER . . . . . . . . . . . . . 81.2 p -41.9 -37.56 1.33 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.877 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 619' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -43.12 -67.65 0.26 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.887 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 620' ' ' VAL . . . . . 0.499 ' CG2' ' HB3' ' A' ' 616' ' ' PHE . 32.8 m -61.55 -29.81 46.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.107 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 621' ' ' LEU . . . . . 0.443 ' CD2' HD21 ' A' ' 651' ' ' LEU . 20.4 mt -62.16 -68.24 0.34 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 622' ' ' GLN . . . . . . . . . . . . . 3.5 mp0 -53.11 -44.61 67.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.933 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -52.65 -41.41 63.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.117 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 39.3 m -67.14 -69.16 0.33 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.825 -179.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 625' ' ' GLY . . . . . . . . . . . . . . . 125.58 -146.73 16.33 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.494 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 626' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -85.76 32.95 0.58 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.862 0.363 . . . . 0.0 110.869 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 39.7 mttp -146.92 121.08 9.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -74.37 118.68 71.79 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.661 0.743 . . . . 0.0 110.933 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 629' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 117.28 4.99 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.722 2.282 . . . . 0.0 112.342 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 630' ' ' VAL . . . . . . . . . . . . . 33.7 t -76.31 123.89 33.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.142 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 631' ' ' THR . . . . . 0.419 HG22 ' CB ' ' A' ' 684' ' ' GLN . 11.1 p -132.27 159.28 39.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.145 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 632' ' ' PHE . . . . . 0.649 ' CE1' ' NE2' ' A' ' 683' ' ' HIS . 39.5 p90 -144.31 136.96 26.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.851 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 633' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -97.7 162.62 13.19 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.868 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 634' ' ' THR . . . . . . . . . . . . . 32.5 p -154.39 136.86 15.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.11 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 635' ' ' TYR . . . . . 0.481 ' CD1' HD11 ' A' ' 680' ' ' LEU . 36.0 p90 -173.89 176.65 2.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.921 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 636' ' ' ALA . . . . . . . . . . . . . . . -151.65 161.8 42.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.109 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 637' ' ' PHE . . . . . 0.573 ' CD1' HD12 ' A' ' 609' ' ' ILE . 20.9 t80 -110.04 151.92 26.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.841 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 638' ' ' TYR . . . . . 0.47 ' CG ' HG13 ' A' ' 663' ' ' VAL . 4.0 t80 47.02 30.57 1.31 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.958 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 639' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 56.88 40.83 28.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.855 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 640' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -91.14 179.13 5.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -43.27 130.45 4.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.898 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 642' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -72.77 111.64 8.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.882 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 643' ' ' GLN . . . . . . . . . . . . . 6.8 mm-40 -98.96 133.49 43.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 644' ' ' THR . . . . . . . . . . . . . 98.2 m -93.16 128.19 39.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.134 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 645' ' ' THR . . . . . . . . . . . . . 16.6 p -69.54 151.88 96.5 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.622 0.725 . . . . 0.0 111.1 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 646' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 124.12 10.75 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.686 2.257 . . . . 0.0 112.316 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 647' ' ' VAL . . . . . 0.422 ' C ' HG22 ' A' ' 648' ' ' VAL . 18.8 t -68.8 140.4 18.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.163 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 648' ' ' VAL . . . . . 0.462 HG13 ' N ' ' A' ' 649' ' ' ARG . 58.8 t -140.69 138.73 35.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.139 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 649' ' ' ARG . . . . . 0.462 ' N ' HG13 ' A' ' 648' ' ' VAL . 76.9 mtm-85 -84.89 121.12 27.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.831 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 650' ' ' GLY . . . . . . . . . . . . . . . 142.94 170.26 12.79 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.474 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 651' ' ' LEU . . . . . 0.443 HD21 ' CD2' ' A' ' 621' ' ' LEU . 16.6 mt -88.91 -44.7 10.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.835 0.35 . . . . 0.0 110.905 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 652' ' ' HIS . . . . . . . . . . . . . 10.9 m-70 -113.26 67.56 1.17 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.54 0.686 . . . . 0.0 110.862 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 653' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 177.53 5.49 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.689 2.259 . . . . 0.0 112.338 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 654' ' ' GLU . . . . . 0.453 ' O ' ' C ' ' A' ' 655' ' ' TYR . 20.4 mt-10 -131.61 64.75 1.58 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.888 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 655' ' ' TYR . . . . . 0.453 ' C ' ' O ' ' A' ' 654' ' ' GLU . 89.8 m-85 -34.22 -62.15 0.34 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.966 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 656' ' ' ASN . . . . . 0.552 ' HA ' ' CE1' ' A' ' 610' ' ' HIS . 4.9 m-80 58.07 40.37 25.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.901 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 657' ' ' PHE . . . . . . . . . . . . . 36.5 t80 -88.58 141.7 28.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 26.9 m -119.18 126.4 51.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.128 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 1.1 t -119.1 128.6 54.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.846 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -120.58 113.6 20.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.859 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 661' ' ' TYR . . . . . . . . . . . . . 47.8 m-85 -124.53 112.15 16.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.95 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 662' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.78 111.4 7.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 663' ' ' VAL . . . . . 0.47 HG13 ' CG ' ' A' ' 638' ' ' TYR . 7.2 m -123.61 133.21 69.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.12 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 664' ' ' HIS . . . . . . . . . . . . . 16.3 p80 -107.43 97.47 7.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 665' ' ' VAL . . . . . 0.453 HG23 ' N ' ' A' ' 666' ' ' ASN . 6.8 p -175.38 154.28 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.099 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 666' ' ' ASN . . . . . 0.453 ' N ' HG23 ' A' ' 665' ' ' VAL . 34.1 m-80 -130.54 -71.14 0.59 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.86 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 667' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -64.38 -53.64 45.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.841 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 668' ' ' LEU . . . . . 0.406 ' HB2' ' CG2' ' A' ' 665' ' ' VAL . 11.1 mp -60.88 -15.13 27.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.898 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 669' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -68.84 -31.42 70.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.871 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 670' ' ' LEU . . . . . 0.423 ' O ' ' N ' ' A' ' 672' ' ' TYR . 48.5 mt -80.6 -63.38 1.42 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.876 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 671' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -40.25 -27.59 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.93 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 672' ' ' TYR . . . . . 0.423 ' N ' ' O ' ' A' ' 670' ' ' LEU . 28.0 t80 -71.88 -56.86 4.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 -179.856 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 673' ' ' ILE . . . . . 0.456 ' CD1' HD13 ' A' ' 703' ' ' ILE . 61.7 mt -59.57 -35.54 59.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.113 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 674' ' ' GLN . . . . . 0.448 ' HG3' ' CD2' ' A' ' 704' ' ' LEU . 19.5 mt-30 -71.3 -62.42 1.41 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 675' ' ' LYS . . . . . . . . . . . . . 50.8 mttp -57.87 -64.47 0.9 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 676' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -105.79 163.12 12.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.883 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 677' ' ' THR . . . . . 0.435 HG23 ' CB ' ' A' ' 699' ' ' LYS . 30.2 p -140.55 173.61 11.32 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.104 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 678' ' ' ILE . . . . . 0.497 ' O ' ' N ' ' A' ' 698' ' ' LEU . 4.8 mp -88.43 143.22 11.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.086 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 35.4 m -116.74 106.94 14.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.139 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 680' ' ' LEU . . . . . 0.481 HD11 ' CD1' ' A' ' 635' ' ' TYR . 4.1 tt -118.15 106.44 12.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.941 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 681' ' ' GLU . . . . . 0.47 ' OE1' ' N ' ' A' ' 681' ' ' GLU . 3.4 mp0 -98.69 139.85 33.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.849 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 682' ' ' VAL . . . . . . . . . . . . . 93.3 t -97.57 98.15 7.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.119 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 683' ' ' HIS . . . . . 0.649 ' NE2' ' CE1' ' A' ' 632' ' ' PHE . 1.4 p-80 -97.44 129.79 44.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.808 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 684' ' ' GLN . . . . . 0.419 ' CB ' HG22 ' A' ' 631' ' ' THR . 42.8 tt0 -88.65 141.51 28.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.891 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -113.84 131.43 56.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.115 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 686' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -96.41 168.95 10.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.94 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 687' ' ' SER . . . . . . . . . . . . . 12.9 t -62.53 -6.81 3.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.851 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 688' ' ' THR . . . . . . . . . . . . . 35.2 p -119.49 -73.03 0.66 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.119 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 689' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -116.77 -176.02 2.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.848 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 690' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -145.66 141.39 28.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.912 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 691' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -149.71 155.61 40.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.911 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 692' ' ' THR . . . . . . . . . . . . . 51.8 m -72.12 134.71 45.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.147 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 693' ' ' ILE . . . . . . . . . . . . . 7.6 pt -124.37 -23.71 2.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.144 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -139.5 147.75 41.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.083 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 695' ' ' ALA . . . . . . . . . . . . . . . -145.87 124.2 12.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.135 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 696' ' ' CYS . . . . . . . . . . . . . 20.2 p -136.95 149.85 47.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.862 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 697' ' ' GLN . . . . . . . . . . . . . 15.7 mp0 -102.53 117.69 35.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.942 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 698' ' ' LEU . . . . . 0.497 ' N ' ' O ' ' A' ' 678' ' ' ILE . 54.0 mt -77.77 127.24 32.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 699' ' ' LYS . . . . . 0.435 ' CB ' HG23 ' A' ' 677' ' ' THR . 8.5 ptpt -155.37 137.31 14.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.898 179.796 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 700' ' ' PHE . . . . . 0.646 ' CD2' ' CD1' ' A' ' 733' ' ' PHE . 4.6 m-85 -112.67 125.01 53.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.853 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 701' ' ' HIS . . . . . . . . . . . . . 34.5 m-70 -89.15 -48.84 7.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.86 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 702' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -50.15 -40.54 46.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 703' ' ' ILE . . . . . 0.468 ' HB ' ' CE2' ' A' ' 733' ' ' PHE . 13.5 tt -47.68 -19.1 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.131 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 704' ' ' LEU . . . . . 0.448 ' CD2' ' HG3' ' A' ' 674' ' ' GLN . 19.7 mt -79.55 -37.78 35.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.94 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 705' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -89.28 -46.75 8.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.865 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 706' ' ' LYS . . . . . 0.436 ' C ' HD13 ' A' ' 710' ' ' ILE . 1.7 ptmm? -121.39 169.2 10.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 707' ' ' SER . . . . . . . . . . . . . 50.9 m -144.86 127.86 16.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.866 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 708' ' ' GLY . . . . . 0.407 ' O ' ' N ' ' A' ' 710' ' ' ILE . . . 130.27 -135.29 8.24 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.499 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 709' ' ' ARG . . . . . . . . . . . . . 13.6 ptt180 -64.83 75.27 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.809 0.337 . . . . 0.0 110.848 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 710' ' ' ILE . . . . . 0.436 HD13 ' C ' ' A' ' 706' ' ' LYS . 26.1 mt -112.99 132.37 61.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.124 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 711' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -98.64 149.83 22.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 712' ' ' CYS . . . . . . . . . . . . . 17.9 m -161.89 174.97 12.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.862 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 713' ' ' THR . . . . . . . . . . . . . 24.6 p -148.7 167.58 25.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.126 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 714' ' ' ALA . . . . . . . . . . . . . . . -141.78 145.1 34.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.089 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 715' ' ' SER . . . . . . . . . . . . . 78.1 p -92.94 141.6 28.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 716' ' ' LEU . . . . . . . . . . . . . 20.4 mt -106.28 149.35 26.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.904 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 717' ' ' ILE . . . . . 0.446 HG22 ' N ' ' A' ' 718' ' ' GLY . 4.8 mp -137.49 144.99 30.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.121 179.83 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 718' ' ' GLY . . . . . 0.446 ' N ' HG22 ' A' ' 717' ' ' ILE . . . -85.07 149.75 24.31 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.493 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 719' ' ' THR . . . . . . . . . . . . . 43.7 p -91.19 -41.99 10.69 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.809 0.337 . . . . 0.0 111.123 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 720' ' ' LYS . . . . . 0.466 ' HE3' ' N ' ' A' ' 721' ' ' GLY . 0.0 OUTLIER -107.54 23.68 14.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.922 179.884 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 721' ' ' GLY . . . . . 0.466 ' N ' ' HE3' ' A' ' 720' ' ' LYS . . . -141.96 -34.1 0.11 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.471 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 722' ' ' ASP . . . . . . . . . . . . . 12.0 t70 67.33 34.99 4.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.82 0.343 . . . . 0.0 110.89 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 723' ' ' ILE . . . . . . . . . . . . . 72.7 mt -94.45 106.55 24.22 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.64 0.733 . . . . 0.0 111.148 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 724' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -27.12 26.93 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.7 2.267 . . . . 0.0 112.334 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 725' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -94.4 34.74 1.26 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.858 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 726' ' ' PHE . . . . . 0.412 ' CE1' HG11 ' A' ' 620' ' ' VAL . 4.1 t80 -61.23 -43.7 98.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 727' ' ' GLY . . . . . . . . . . . . . . . 158.81 154.24 7.12 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.479 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 728' ' ' THR . . . . . . . . . . . . . 15.0 m -105.53 148.49 27.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.84 0.353 . . . . 0.0 111.134 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 729' ' ' VAL . . . . . 0.413 HG23 ' N ' ' A' ' 730' ' ' GLU . 7.6 p -109.72 138.6 36.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.099 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 730' ' ' GLU . . . . . 0.413 ' N ' HG23 ' A' ' 729' ' ' VAL . 8.9 mm-40 -109.33 136.29 49.01 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.891 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 731' ' ' TYR . . . . . . . . . . . . . 19.8 p90 -159.33 176.47 12.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.876 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 732' ' ' TRP . . . . . . . . . . . . . 60.0 p-90 -155.4 121.0 4.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.924 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 733' ' ' PHE . . . . . 0.646 ' CD1' ' CD2' ' A' ' 700' ' ' PHE . 30.8 p90 -105.98 147.77 28.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.868 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 734' ' ' ARG . . . . . . . . . . . . . 5.5 ptm180 -135.11 121.8 20.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.92 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 735' ' ' LEU . . . . . . . . . . . . . 42.1 tp -114.61 105.34 12.96 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.935 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 736' ' ' ARG . . . . . . . . . . . . . 2.7 tpm_? -154.75 151.17 28.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 737' ' ' VAL . . . . . . . . . . . . . 13.5 p -44.68 146.87 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.142 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 738' ' ' SER . . . . . . . . . . . . . 11.7 t . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.858 -179.879 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 604' ' ' GLU . . . . . . . . . . . . . 35.6 mp0 . . . . . 0 N--CA 1.458 -0.074 0 CA-C-O 120.861 0.362 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 605' ' ' ASN . . . . . . . . . . . . . 11.9 m-20 -122.48 144.39 49.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.887 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 606' ' ' LEU . . . . . 0.408 ' CD2' ' HB2' ' A' ' 660' ' ' GLN . 3.4 tt -130.08 130.1 44.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 607' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -111.85 122.46 47.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 608' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -113.8 128.88 56.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.857 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 609' ' ' ILE . . . . . . . . . . . . . 56.4 mt -125.88 106.96 16.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.185 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 610' ' ' HIS . . . . . 0.401 ' HB3' ' CE2' ' A' ' 732' ' ' TRP . 6.9 t-80 -115.11 134.43 55.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 22.3 mm -100.76 125.0 54.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.115 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 612' ' ' ASN . . . . . . . . . . . . . 14.3 m-20 -78.38 -66.54 0.84 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 613' ' ' LYS . . . . . . . . . . . . . 12.9 pttp -169.54 176.85 4.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 614' ' ' VAL . . . . . . . . . . . . . 41.7 t -122.6 119.23 57.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.139 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 615' ' ' THR . . . . . . . . . . . . . 27.7 m -90.65 145.44 24.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.137 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 616' ' ' PHE . . . . . 0.467 ' HB3' ' CG2' ' A' ' 620' ' ' VAL . 25.3 m-85 -121.83 166.82 13.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.869 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 1.5 t -108.51 152.46 24.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.867 -179.76 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 618' ' ' SER . . . . . . . . . . . . . 92.6 p -42.07 -27.25 0.12 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.862 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 619' ' ' GLU . . . . . . . . . . . . . 63.7 mm-40 -50.39 -69.74 0.1 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 620' ' ' VAL . . . . . 0.467 ' CG2' ' HB3' ' A' ' 616' ' ' PHE . 16.1 m -57.58 -31.52 39.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.134 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 621' ' ' LEU . . . . . 0.561 ' CD2' ' CD2' ' A' ' 651' ' ' LEU . 19.4 mt -58.97 -52.68 64.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 622' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -65.68 -52.53 50.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.922 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -54.58 -37.28 65.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.076 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 3.3 m -65.61 -75.14 0.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.848 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 625' ' ' GLY . . . . . . . . . . . . . . . 124.24 -144.87 15.63 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.487 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 626' ' ' ASP . . . . . . . . . . . . . 40.9 m-20 -86.11 33.72 0.61 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.806 0.336 . . . . 0.0 110.846 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 16.7 ptpt -136.6 177.54 7.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -131.3 122.86 19.28 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.672 0.748 . . . . 0.0 110.917 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 629' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 120.15 6.98 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.681 2.254 . . . . 0.0 112.376 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 630' ' ' VAL . . . . . . . . . . . . . 38.9 t -90.38 110.36 21.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.161 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 631' ' ' THR . . . . . . . . . . . . . 6.1 p -130.47 173.28 11.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.211 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 632' ' ' PHE . . . . . 0.449 ' CE2' ' CE1' ' A' ' 683' ' ' HIS . 6.1 p90 -152.88 152.05 31.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.885 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 633' ' ' CYS . . . . . . . . . . . . . 80.7 m -97.7 143.28 28.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 634' ' ' THR . . . . . . . . . . . . . 13.2 p -142.07 130.59 22.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.132 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 635' ' ' TYR . . . . . . . . . . . . . 16.3 p90 -172.02 170.46 5.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.938 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 636' ' ' ALA . . . . . . . . . . . . . . . -123.69 158.42 31.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.089 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 637' ' ' PHE . . . . . . . . . . . . . 83.8 t80 -112.98 144.2 42.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.866 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 638' ' ' TYR . . . . . 0.516 ' HB3' ' CE2' ' A' ' 640' ' ' PHE . 8.1 t80 39.18 37.86 0.28 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.911 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 639' ' ' ASP . . . . . . . . . . . . . 31.7 m-20 58.87 48.92 10.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.829 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 640' ' ' PHE . . . . . 0.516 ' CE2' ' HB3' ' A' ' 638' ' ' TYR . 17.3 m-85 -110.15 -177.75 3.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.837 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -46.93 143.51 2.9 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.937 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 642' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -73.2 114.0 10.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.941 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 643' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -91.54 120.17 32.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 644' ' ' THR . . . . . . . . . . . . . 98.7 m -99.07 120.78 40.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.13 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 645' ' ' THR . . . . . . . . . . . . . 35.8 p -74.29 153.23 88.17 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.548 0.689 . . . . 0.0 111.176 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 646' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 129.14 17.04 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.643 2.229 . . . . 0.0 112.341 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 647' ' ' VAL . . . . . . . . . . . . . 24.4 t -69.32 139.5 20.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.095 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 59.3 t -142.66 136.18 27.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.139 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 649' ' ' ARG . . . . . . . . . . . . . 29.3 mtt180 -85.13 112.16 20.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.85 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 650' ' ' GLY . . . . . . . . . . . . . . . 159.5 166.63 18.82 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.516 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 651' ' ' LEU . . . . . 0.561 ' CD2' ' CD2' ' A' ' 621' ' ' LEU . 5.0 mp -95.46 -31.82 13.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.808 0.337 . . . . 0.0 110.904 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 652' ' ' HIS . . . . . . . . . . . . . 9.4 m-70 -129.75 57.05 27.94 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.606 0.717 . . . . 0.0 110.875 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 653' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 -178.33 2.27 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.717 2.278 . . . . 0.0 112.329 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -131.69 76.43 1.71 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 655' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -43.08 -53.17 5.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.903 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 57.84 37.44 26.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.833 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 657' ' ' PHE . . . . . 0.544 ' CZ ' ' OG ' ' A' ' 659' ' ' SER . 10.2 t80 -87.01 142.96 27.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.879 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 7.3 m -128.16 110.42 12.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.166 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 659' ' ' SER . . . . . 0.544 ' OG ' ' CZ ' ' A' ' 657' ' ' PHE . 3.5 m -120.85 108.43 13.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.85 -179.835 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 660' ' ' GLN . . . . . 0.408 ' HB2' ' CD2' ' A' ' 606' ' ' LEU . 15.4 pt20 -145.55 146.63 31.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.971 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 661' ' ' TYR . . . . . . . . . . . . . 68.5 m-85 -154.62 150.63 27.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.939 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 662' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -72.44 105.6 4.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.949 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 663' ' ' VAL . . . . . . . . . . . . . 9.7 m -107.53 123.4 62.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.091 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 664' ' ' HIS . . . . . . . . . . . . . 44.7 m-70 -87.22 100.72 12.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.868 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 665' ' ' VAL . . . . . . . . . . . . . 3.8 p -149.9 174.65 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.097 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 666' ' ' ASN . . . . . 0.483 ' O ' ' N ' ' A' ' 668' ' ' LEU . 6.1 m120 -126.62 -174.7 3.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.888 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 667' ' ' ASP . . . . . 0.431 ' C ' ' O ' ' A' ' 666' ' ' ASN . 7.5 t70 -34.93 -33.0 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 668' ' ' LEU . . . . . 0.483 ' N ' ' O ' ' A' ' 666' ' ' ASN . 55.0 mt -40.36 -47.36 2.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 669' ' ' PHE . . . . . . . . . . . . . 24.6 t80 -44.32 -54.13 6.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 670' ' ' LEU . . . . . 0.448 ' CD2' ' O ' ' A' ' 703' ' ' ILE . 80.5 mt -45.14 -52.89 8.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.928 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 671' ' ' GLN . . . . . 0.416 ' O ' ' CG ' ' A' ' 674' ' ' GLN . 74.6 mt-30 -46.75 -58.43 3.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.935 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 672' ' ' TYR . . . . . 0.506 ' CD1' ' C ' ' A' ' 672' ' ' TYR . 0.2 OUTLIER -37.94 -39.43 0.38 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.91 -179.882 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 673' ' ' ILE . . . . . . . . . . . . . 5.3 mm -53.61 -51.65 40.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.141 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 674' ' ' GLN . . . . . 0.416 ' CG ' ' O ' ' A' ' 671' ' ' GLN . 4.8 pt20 -73.58 -34.67 65.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.925 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 675' ' ' LYS . . . . . . . . . . . . . 23.6 mtpp -72.46 -71.81 0.27 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.885 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 676' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -116.93 128.79 55.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 23.3 p -101.16 178.2 4.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.114 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 678' ' ' ILE . . . . . . . . . . . . . 4.5 mp -94.24 138.43 20.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.163 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 6.3 m -110.45 100.8 9.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.13 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 680' ' ' LEU . . . . . . . . . . . . . 7.1 tt -107.16 114.86 29.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.913 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 681' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -107.91 144.21 35.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.869 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 682' ' ' VAL . . . . . . . . . . . . . 83.1 t -110.64 112.35 40.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.13 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 683' ' ' HIS . . . . . 0.449 ' CE1' ' CE2' ' A' ' 632' ' ' PHE . 0.1 OUTLIER -106.15 155.5 19.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.858 179.936 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 684' ' ' GLN . . . . . 0.422 ' HG3' ' CD1' ' A' ' 693' ' ' ILE . 18.8 mt-30 -92.37 154.16 18.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.884 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -108.39 109.12 20.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.135 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 686' ' ' TYR . . . . . 0.448 ' O ' ' C ' ' A' ' 687' ' ' SER . 10.5 m-85 -95.84 168.08 10.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.975 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 687' ' ' SER . . . . . 0.448 ' C ' ' O ' ' A' ' 686' ' ' TYR . 60.6 p -34.54 -73.58 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.832 -179.814 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 688' ' ' THR . . . . . . . . . . . . . 2.3 t -125.59 14.17 8.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.144 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 689' ' ' GLU . . . . . 0.443 ' CG ' ' HB2' ' A' ' 686' ' ' TYR . 3.3 pt-20 -128.95 167.97 16.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.931 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 690' ' ' TYR . . . . . 0.403 ' CG ' ' C ' ' A' ' 689' ' ' GLU . 0.7 OUTLIER -154.11 138.54 16.76 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.943 -179.873 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 691' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -149.42 150.28 32.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.886 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 692' ' ' THR . . . . . . . . . . . . . 5.7 m -73.73 133.9 43.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.11 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 693' ' ' ILE . . . . . 0.451 HG13 ' N ' ' A' ' 694' ' ' ALA . 10.9 pt -117.75 -28.74 2.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.179 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 694' ' ' ALA . . . . . 0.451 ' N ' HG13 ' A' ' 693' ' ' ILE . . . -142.48 152.64 42.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.09 179.8 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 695' ' ' ALA . . . . . . . . . . . . . . . -150.42 133.52 16.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.121 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 696' ' ' CYS . . . . . . . . . . . . . 20.0 p -153.35 178.63 9.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 697' ' ' GLN . . . . . 0.528 ' N ' ' CD ' ' A' ' 697' ' ' GLN . 0.0 OUTLIER -130.19 140.52 50.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.935 -179.924 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 698' ' ' LEU . . . . . . . . . . . . . 32.4 mt -94.87 104.63 16.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 699' ' ' LYS . . . . . . . . . . . . . 7.9 ptpt -124.3 130.05 51.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 179.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 700' ' ' PHE . . . . . 0.556 ' CD2' ' CD1' ' A' ' 733' ' ' PHE . 2.4 m-85 -110.29 125.16 52.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.865 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 701' ' ' HIS . . . . . . . . . . . . . 40.1 m-70 -88.57 -51.56 5.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.886 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 702' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -52.39 -24.09 7.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.868 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 703' ' ' ILE . . . . . 0.448 ' O ' ' CD2' ' A' ' 670' ' ' LEU . 13.0 tt -66.14 -4.24 2.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.141 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 704' ' ' LEU . . . . . . . . . . . . . 29.3 mt -91.7 -29.16 16.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.935 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 705' ' ' GLU . . . . . 0.455 ' CG ' ' N ' ' A' ' 706' ' ' LYS . 6.6 pt-20 -107.14 -46.26 3.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.876 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 706' ' ' LYS . . . . . 0.455 ' N ' ' CG ' ' A' ' 705' ' ' GLU . 4.9 ptpp? -111.94 140.51 46.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 707' ' ' SER . . . . . . . . . . . . . 93.7 p -124.13 114.41 19.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.828 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 708' ' ' GLY . . . . . 0.445 ' O ' ' N ' ' A' ' 710' ' ' ILE . . . 132.95 -145.86 17.81 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.517 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 709' ' ' ARG . . . . . . . . . . . . . 5.7 tmm_? -44.7 93.46 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.833 0.349 . . . . 0.0 110.852 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 710' ' ' ILE . . . . . 0.445 ' N ' ' O ' ' A' ' 708' ' ' GLY . 25.5 mt -139.28 147.39 24.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.091 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 711' ' ' PHE . . . . . . . . . . . . . 80.2 m-85 -114.06 139.44 49.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 712' ' ' CYS . . . . . . . . . . . . . 13.4 t -156.4 163.4 39.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.85 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 713' ' ' THR . . . . . . . . . . . . . 34.2 p -142.03 163.52 32.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.142 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 714' ' ' ALA . . . . . . . . . . . . . . . -131.65 161.73 32.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.091 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 715' ' ' SER . . . . . . . . . . . . . 45.9 t -103.34 137.83 40.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 716' ' ' LEU . . . . . . . . . . . . . 19.1 mt -107.93 138.07 44.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.902 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 717' ' ' ILE . . . . . . . . . . . . . 4.0 mp -123.18 142.67 38.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.096 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 718' ' ' GLY . . . . . . . . . . . . . . . -88.72 150.67 21.82 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.503 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 719' ' ' THR . . . . . . . . . . . . . 79.9 p -91.22 -70.98 0.66 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.847 0.356 . . . . 0.0 111.123 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 720' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -77.3 56.12 1.3 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 721' ' ' GLY . . . . . . . . . . . . . . . 176.14 -26.69 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.467 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 722' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 59.59 53.55 4.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.747 0.308 . . . . 0.0 110.873 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 723' ' ' ILE . . . . . . . . . . . . . 79.1 mt -103.85 106.72 54.04 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.625 0.726 . . . . 0.0 111.154 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 724' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -34.27 15.06 Favored 'Trans proline' 0 N--CA 1.465 -0.178 0 C-N-CA 122.752 2.301 . . . . 0.0 112.338 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 725' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -93.85 29.86 1.97 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 726' ' ' PHE . . . . . 0.404 ' CZ ' HG12 ' A' ' 620' ' ' VAL . 25.2 t80 -52.37 -46.87 66.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 727' ' ' GLY . . . . . . . . . . . . . . . 171.99 178.8 42.51 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.49 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 728' ' ' THR . . . . . . . . . . . . . 2.6 m -131.52 145.73 51.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.85 0.357 . . . . 0.0 111.14 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 729' ' ' VAL . . . . . 0.504 HG11 ' CE2' ' A' ' 731' ' ' TYR . 8.8 p -107.77 129.66 61.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.154 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -105.68 129.66 53.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 731' ' ' TYR . . . . . 0.504 ' CE2' HG11 ' A' ' 729' ' ' VAL . 0.9 OUTLIER -157.97 168.23 27.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.936 -179.866 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 732' ' ' TRP . . . . . 0.401 ' CE2' ' HB3' ' A' ' 610' ' ' HIS . 63.7 p-90 -141.49 134.9 29.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.906 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 733' ' ' PHE . . . . . 0.556 ' CD1' ' CD2' ' A' ' 700' ' ' PHE . 31.0 p90 -118.89 148.32 43.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.866 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 734' ' ' ARG . . . . . . . . . . . . . 18.9 ttm180 -147.05 113.14 5.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.872 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 735' ' ' LEU . . . . . . . . . . . . . 25.5 tp -115.35 106.77 14.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 736' ' ' ARG . . . . . . . . . . . . . 33.3 mmm-85 -148.2 161.36 41.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 737' ' ' VAL . . . . . . . . . . . . . 9.0 p -60.84 132.5 26.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.099 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 738' ' ' SER . . . . . . . . . . . . . 11.2 t . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.884 -179.863 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 604' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 . . . . . 0 C--O 1.23 0.049 0 CA-C-O 120.895 0.379 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 605' ' ' ASN . . . . . . . . . . . . . 19.9 m-80 -128.99 131.33 47.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.904 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 606' ' ' LEU . . . . . . . . . . . . . 53.1 tp -121.54 115.91 23.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.94 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 607' ' ' PHE . . . . . 0.794 ' CD2' ' CE2' ' A' ' 637' ' ' PHE . 7.6 t80 -110.79 132.71 53.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 608' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -147.08 133.71 19.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 609' ' ' ILE . . . . . . . . . . . . . 5.4 mp -115.48 116.26 51.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.156 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 610' ' ' HIS . . . . . 0.528 ' CE1' ' HA ' ' A' ' 656' ' ' ASN . 12.4 t60 -102.13 103.26 13.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 611' ' ' ILE . . . . . 0.479 HG22 ' CD2' ' A' ' 655' ' ' TYR . 48.8 mm -70.05 108.45 2.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.157 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 612' ' ' ASN . . . . . . . . . . . . . 36.3 t-20 -64.12 -66.33 0.56 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 613' ' ' LYS . . . . . . . . . . . . . 14.6 pttp -170.46 160.79 7.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 614' ' ' VAL . . . . . . . . . . . . . 11.0 p -106.1 124.22 61.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.089 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 615' ' ' THR . . . . . . . . . . . . . 41.7 m -94.37 148.6 22.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.127 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 616' ' ' PHE . . . . . 0.507 ' HB3' ' CG2' ' A' ' 620' ' ' VAL . 61.2 m-85 -127.73 151.01 49.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.862 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 617' ' ' SER . . . . . 0.449 ' O ' ' C ' ' A' ' 618' ' ' SER . 3.5 m -100.52 150.05 23.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.837 -179.762 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 618' ' ' SER . . . . . 0.449 ' C ' ' O ' ' A' ' 617' ' ' SER . 29.2 m -34.13 -39.65 0.08 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.833 -179.844 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 619' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -38.32 -67.27 0.21 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.917 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 620' ' ' VAL . . . . . 0.507 ' CG2' ' HB3' ' A' ' 616' ' ' PHE . 23.8 m -68.47 -46.46 80.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.13 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 621' ' ' LEU . . . . . 0.427 ' CD2' HD21 ' A' ' 651' ' ' LEU . 40.0 mt -43.26 -64.91 0.56 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 622' ' ' GLN . . . . . . . . . . . . . 34.7 mm-40 -51.46 -44.82 62.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -43.82 -46.59 7.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.129 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 13.3 t -69.02 -59.59 2.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.879 -179.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 625' ' ' GLY . . . . . . . . . . . . . . . 80.99 106.64 0.31 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.498 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 626' ' ' ASP . . . . . . . . . . . . . 14.6 t0 42.81 29.16 0.16 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.836 0.351 . . . . 0.0 110.858 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 22.3 mttm -143.76 142.19 30.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.911 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -112.02 116.77 49.06 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.649 0.738 . . . . 0.0 110.822 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 629' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 142.51 47.99 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.659 2.239 . . . . 0.0 112.339 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 630' ' ' VAL . . . . . . . . . . . . . 16.7 t -104.16 112.84 39.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.188 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 631' ' ' THR . . . . . . . . . . . . . 21.0 p -135.21 175.2 9.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.105 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 632' ' ' PHE . . . . . 0.712 ' CZ ' ' CD2' ' A' ' 683' ' ' HIS . 3.4 p90 -148.93 157.42 43.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 633' ' ' CYS . . . . . . . . . . . . . 89.4 m -108.56 137.22 46.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 634' ' ' THR . . . . . . . . . . . . . 41.1 p -138.69 127.42 23.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.089 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 635' ' ' TYR . . . . . . . . . . . . . 11.4 p90 -169.23 165.41 10.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 636' ' ' ALA . . . . . . . . . . . . . . . -118.24 161.96 19.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.125 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 637' ' ' PHE . . . . . 0.794 ' CE2' ' CD2' ' A' ' 607' ' ' PHE . 26.6 t80 -121.86 124.14 43.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.904 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 638' ' ' TYR . . . . . . . . . . . . . 7.1 t80 59.21 32.24 21.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.889 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 639' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 62.72 53.75 2.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 640' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -113.84 174.87 5.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -54.4 115.47 2.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.85 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 642' ' ' LEU . . . . . . . . . . . . . 2.1 tp -47.7 143.48 3.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.897 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 643' ' ' GLN . . . . . . . . . . . . . 2.7 tp60 -117.31 114.48 23.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.908 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 644' ' ' THR . . . . . . . . . . . . . 57.3 m -81.89 112.34 18.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.135 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 645' ' ' THR . . . . . . . . . . . . . 72.4 p -73.82 152.97 89.16 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.604 0.716 . . . . 0.0 111.115 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 646' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 122.68 9.35 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.665 2.243 . . . . 0.0 112.349 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 647' ' ' VAL . . . . . . . . . . . . . 74.7 t -68.25 132.46 32.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.119 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 78.7 t -131.37 130.74 63.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.094 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 649' ' ' ARG . . . . . . . . . . . . . 8.1 ptt180 -85.38 120.82 27.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.906 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 650' ' ' GLY . . . . . . . . . . . . . . . 147.87 146.12 4.29 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.457 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 651' ' ' LEU . . . . . 0.427 HD21 ' CD2' ' A' ' 621' ' ' LEU . 42.5 mt -61.04 -44.97 96.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.877 0.37 . . . . 0.0 110.914 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 652' ' ' HIS . . . . . . . . . . . . . 14.5 m-70 -113.9 75.65 2.96 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.557 0.694 . . . . 0.0 110.895 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 653' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 169.97 17.72 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.631 2.221 . . . . 0.0 112.322 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 31.9 mp0 -128.94 69.63 1.4 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.934 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 655' ' ' TYR . . . . . 0.479 ' CD2' HG22 ' A' ' 611' ' ' ILE . 68.3 m-85 -42.09 -65.16 0.49 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.943 -179.849 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 656' ' ' ASN . . . . . 0.528 ' HA ' ' CE1' ' A' ' 610' ' ' HIS . 24.3 m-80 50.24 41.91 24.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.856 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 657' ' ' PHE . . . . . . . . . . . . . 24.8 t80 -102.21 139.22 38.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.948 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 14.6 m -125.79 145.98 49.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.124 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 2.1 t -144.65 125.03 13.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -103.38 138.09 40.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.912 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 661' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -148.69 121.12 8.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.903 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 662' ' ' LEU . . . . . 0.423 ' C ' HD11 ' A' ' 662' ' ' LEU . 1.3 tm? -77.78 115.75 17.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.944 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 663' ' ' VAL . . . . . . . . . . . . . 20.3 m -124.46 115.58 45.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.129 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 664' ' ' HIS . . . . . 0.514 ' CG ' ' O ' ' A' ' 664' ' ' HIS . 47.7 p-80 -84.43 97.84 9.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 665' ' ' VAL . . . . . 0.472 ' CG2' ' HB2' ' A' ' 668' ' ' LEU . 9.8 p -174.97 152.14 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.145 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 666' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -130.74 -71.26 0.59 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.931 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 667' ' ' ASP . . . . . 0.401 ' C ' ' N ' ' A' ' 669' ' ' PHE . 0.5 OUTLIER -60.91 -63.49 1.28 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.865 179.918 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 668' ' ' LEU . . . . . 0.472 ' HB2' ' CG2' ' A' ' 665' ' ' VAL . 4.0 mm? -44.93 -22.36 0.09 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.907 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 669' ' ' PHE . . . . . 0.438 ' O ' ' CD2' ' A' ' 672' ' ' TYR . 1.0 OUTLIER -65.33 -49.34 69.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 670' ' ' LEU . . . . . . . . . . . . . 18.9 mt -78.83 -30.0 45.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.922 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 671' ' ' GLN . . . . . . . . . . . . . 58.5 mt-30 -63.64 -46.06 87.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.941 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 672' ' ' TYR . . . . . 0.657 ' CD1' ' C ' ' A' ' 672' ' ' TYR . 0.1 OUTLIER -65.23 -34.9 79.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 -179.851 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 673' ' ' ILE . . . . . 0.604 ' CG1' ' CZ ' ' A' ' 672' ' ' TYR . 75.2 mt -74.86 -37.36 41.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.093 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 674' ' ' GLN . . . . . 0.4 ' HG3' ' CD2' ' A' ' 704' ' ' LEU . 9.3 mt-30 -74.6 -45.06 47.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.951 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 675' ' ' LYS . . . . . . . . . . . . . 31.2 mttm -76.58 -68.55 0.58 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 676' ' ' ASN . . . . . . . . . . . . . 5.8 m-80 -97.34 175.22 6.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.899 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 4.4 p -140.61 175.36 9.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.179 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 678' ' ' ILE . . . . . . . . . . . . . 23.6 mt -94.88 143.28 12.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.149 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 28.2 m -117.73 111.16 18.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.14 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 680' ' ' LEU . . . . . . . . . . . . . 4.8 tt -115.48 109.71 18.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.999 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 681' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -101.0 144.62 29.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 682' ' ' VAL . . . . . . . . . . . . . 92.7 t -119.44 112.19 36.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.131 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 683' ' ' HIS . . . . . 0.712 ' CD2' ' CZ ' ' A' ' 632' ' ' PHE . 4.8 p-80 -105.36 163.51 12.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 684' ' ' GLN . . . . . 0.533 ' HB3' ' CE1' ' A' ' 686' ' ' TYR . 33.5 tt0 -100.26 152.58 20.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.958 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -96.64 123.52 40.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.045 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 686' ' ' TYR . . . . . 0.533 ' CE1' ' HB3' ' A' ' 684' ' ' GLN . 9.5 m-85 -116.34 168.41 10.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.962 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 687' ' ' SER . . . . . . . . . . . . . 32.8 p -38.52 -69.7 0.12 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.858 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 688' ' ' THR . . . . . . . . . . . . . 63.6 p -134.1 27.53 3.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.094 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 689' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -141.48 169.4 17.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.908 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 690' ' ' TYR . . . . . . . . . . . . . 37.4 m-85 -153.78 140.74 19.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 691' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -149.59 149.74 31.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.906 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 692' ' ' THR . . . . . . . . . . . . . 31.0 m -92.7 113.81 26.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.14 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 693' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -98.57 -16.77 6.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.139 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -138.07 161.01 37.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.095 179.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 695' ' ' ALA . . . . . . . . . . . . . . . -168.97 137.26 2.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.079 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 696' ' ' CYS . . . . . . . . . . . . . 18.0 p -151.33 178.7 9.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 697' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -131.66 116.42 17.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.931 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 698' ' ' LEU . . . . . . . . . . . . . 27.6 mt -74.89 138.02 42.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 699' ' ' LYS . . . . . . . . . . . . . 7.8 ptpp? -154.31 133.28 12.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.849 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 700' ' ' PHE . . . . . 0.578 ' CD1' ' CE1' ' A' ' 733' ' ' PHE . 3.3 m-85 -110.97 124.64 52.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.868 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 701' ' ' HIS . . . . . . . . . . . . . 40.9 m-70 -88.9 -47.08 8.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.86 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 702' ' ' GLU . . . . . 0.4 ' C ' ' N ' ' A' ' 704' ' ' LEU . 2.1 mp0 -53.38 -43.48 67.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.885 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 703' ' ' ILE . . . . . . . . . . . . . 13.4 tt -47.96 -18.46 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.15 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 704' ' ' LEU . . . . . 0.4 ' N ' ' C ' ' A' ' 702' ' ' GLU . 50.6 mt -76.29 -47.09 24.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.942 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 705' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -98.42 -48.9 4.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.914 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 706' ' ' LYS . . . . . . . . . . . . . 46.5 mttm -88.09 169.79 11.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.937 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 707' ' ' SER . . . . . . . . . . . . . 11.1 t -146.54 133.53 20.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.832 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 708' ' ' GLY . . . . . . . . . . . . . . . 113.39 -147.38 18.58 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.445 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 709' ' ' ARG . . . . . 0.422 ' C ' HG13 ' A' ' 710' ' ' ILE . 8.4 ptp180 -67.87 126.28 28.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.779 0.323 . . . . 0.0 110.866 -179.859 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 710' ' ' ILE . . . . . 0.422 HG13 ' C ' ' A' ' 709' ' ' ARG . 49.5 mt -145.08 132.54 16.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.099 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 711' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -84.69 132.64 34.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 712' ' ' CYS . . . . . . . . . . . . . 13.6 t -162.35 165.13 26.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 713' ' ' THR . . . . . . . . . . . . . 34.8 p -145.56 168.82 19.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.134 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 714' ' ' ALA . . . . . . . . . . . . . . . -139.13 146.37 40.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.131 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 715' ' ' SER . . . . . . . . . . . . . 3.2 t -90.45 151.58 21.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.831 -179.74 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 716' ' ' LEU . . . . . . . . . . . . . 9.0 mt -118.9 143.3 47.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.898 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 717' ' ' ILE . . . . . 0.402 HD12 ' N ' ' A' ' 717' ' ' ILE . 5.1 mp -129.31 147.9 33.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.118 179.846 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 718' ' ' GLY . . . . . . . . . . . . . . . -80.06 145.59 27.18 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.466 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 719' ' ' THR . . . . . . . . . . . . . 40.2 p -79.56 -57.54 3.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.86 0.362 . . . . 0.0 111.165 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 720' ' ' LYS . . . . . . . . . . . . . 22.7 mtmt -83.04 -47.88 11.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.93 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 721' ' ' GLY . . . . . . . . . . . . . . . -68.97 -27.67 73.7 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.515 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 722' ' ' ASP . . . . . . . . . . . . . 32.9 m-20 60.79 38.92 17.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.789 0.328 . . . . 0.0 110.882 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 723' ' ' ILE . . . . . . . . . . . . . 34.1 mt -90.0 116.61 66.78 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.673 0.749 . . . . 0.0 111.121 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 724' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 -33.81 15.73 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.645 2.23 . . . . 0.0 112.348 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 725' ' ' ASN . . . . . . . . . . . . . 76.1 m-20 -93.82 45.77 1.16 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 726' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -66.78 -44.14 82.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.854 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 727' ' ' GLY . . . . . . . . . . . . . . . 160.57 164.6 15.84 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.537 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 728' ' ' THR . . . . . . . . . . . . . 8.6 m -114.99 146.53 41.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.846 0.355 . . . . 0.0 111.167 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 729' ' ' VAL . . . . . . . . . . . . . 14.2 p -105.62 142.46 18.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.124 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -115.89 127.83 55.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.875 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 731' ' ' TYR . . . . . . . . . . . . . 3.1 p90 -157.6 174.56 15.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.949 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 732' ' ' TRP . . . . . 0.423 ' HE1' ' CD2' ' A' ' 610' ' ' HIS . 45.7 p-90 -155.21 123.67 5.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.91 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 733' ' ' PHE . . . . . 0.578 ' CE1' ' CD1' ' A' ' 700' ' ' PHE . 13.0 p90 -102.19 157.85 16.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.914 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 734' ' ' ARG . . . . . . . . . . . . . 24.7 ttp180 -144.79 117.47 8.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.863 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 735' ' ' LEU . . . . . . . . . . . . . 45.7 tp -116.21 104.77 11.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.95 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 736' ' ' ARG . . . . . . . . . . . . . 34.8 ttm180 -147.89 153.27 38.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 737' ' ' VAL . . . . . . . . . . . . . 10.0 p -47.36 151.21 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.154 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 738' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.843 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 604' ' ' GLU . . . . . 0.414 ' CD ' HD11 ' A' ' 662' ' ' LEU . 3.0 tp10 . . . . . 0 C--O 1.23 0.055 0 CA-C-O 120.855 0.359 . . . . 0.0 110.874 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 605' ' ' ASN . . . . . 0.451 ' ND2' ' OD1' ' A' ' 666' ' ' ASN . 90.8 m-20 -130.88 156.36 45.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.908 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 606' ' ' LEU . . . . . . . . . . . . . 6.5 tt -126.49 114.68 18.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 607' ' ' PHE . . . . . 0.504 ' CD2' ' CZ ' ' A' ' 637' ' ' PHE . 42.8 t80 -95.94 131.6 42.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.892 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 608' ' ' GLU . . . . . 0.449 ' OE2' ' CZ3' ' A' ' 732' ' ' TRP . 1.2 pp20? -141.18 139.03 33.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.863 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 609' ' ' ILE . . . . . . . . . . . . . 88.6 mt -119.96 125.77 74.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.13 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 610' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -125.44 106.52 9.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.842 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 44.0 mm -83.31 112.72 21.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.152 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 612' ' ' ASN . . . . . . . . . . . . . 32.0 m120 -67.13 -67.44 0.45 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 613' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.91 173.97 9.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.845 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 614' ' ' VAL . . . . . . . . . . . . . 87.3 t -128.15 136.32 60.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.142 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 615' ' ' THR . . . . . . . . . . . . . 26.1 m -107.78 143.16 36.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.178 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 616' ' ' PHE . . . . . 0.474 ' CD1' HG11 ' A' ' 620' ' ' VAL . 46.2 m-85 -117.46 155.23 30.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.91 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 617' ' ' SER . . . . . 0.449 ' CB ' ' O ' ' A' ' 725' ' ' ASN . 1.0 OUTLIER -99.94 154.22 18.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 -179.821 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 618' ' ' SER . . . . . 0.448 ' C ' ' O ' ' A' ' 617' ' ' SER . 32.4 m -34.14 -61.92 0.34 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.836 -179.846 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 619' ' ' GLU . . . . . . . . . . . . . 6.0 mp0 -39.3 -43.69 1.18 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.87 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 620' ' ' VAL . . . . . 0.483 HG23 ' CE1' ' A' ' 726' ' ' PHE . 10.1 t -79.03 -38.61 20.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.121 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 621' ' ' LEU . . . . . . . . . . . . . 69.8 mt -57.69 -49.2 77.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.928 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 622' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -65.08 -47.25 77.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -44.78 -45.35 9.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.102 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 60.0 p -60.54 -48.91 79.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.848 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 625' ' ' GLY . . . . . . . . . . . . . . . 95.14 -152.65 20.52 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.479 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 626' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -91.41 45.93 1.27 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.873 0.368 . . . . 0.0 110.872 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 10.2 ptpp? -142.66 172.64 12.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.935 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 628' ' ' GLU . . . . . 0.402 ' HA ' ' HD2' ' A' ' 629' ' ' PRO . 7.2 mp0 -113.32 93.13 25.12 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.595 0.712 . . . . 0.0 110.896 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 629' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 628' ' ' GLU . 54.0 Cg_endo -69.77 110.0 2.45 Favored 'Trans proline' 0 N--CA 1.465 -0.162 0 C-N-CA 122.695 2.263 . . . . 0.0 112.386 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 630' ' ' VAL . . . . . 0.455 HG11 ' CG1' ' A' ' 647' ' ' VAL . 13.2 t -74.42 133.45 31.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.153 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 631' ' ' THR . . . . . . . . . . . . . 43.9 p -142.12 162.56 35.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.114 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 632' ' ' PHE . . . . . 0.544 ' CE2' ' NE2' ' A' ' 683' ' ' HIS . 43.0 p90 -149.22 140.99 23.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.914 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 633' ' ' CYS . . . . . . . . . . . . . 73.6 m -89.77 155.26 19.31 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.907 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 634' ' ' THR . . . . . . . . . . . . . 45.6 p -146.43 122.82 10.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.124 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 635' ' ' TYR . . . . . . . . . . . . . 4.5 p90 -145.42 158.34 43.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 636' ' ' ALA . . . . . 0.42 ' CB ' HD21 ' A' ' 642' ' ' LEU . . . -119.47 158.39 26.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.073 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 637' ' ' PHE . . . . . 0.534 ' O ' ' C ' ' A' ' 638' ' ' TYR . 2.3 t80 -119.07 157.81 27.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 638' ' ' TYR . . . . . 0.609 ' O ' ' CD2' ' A' ' 640' ' ' PHE . 2.2 m-85 -25.96 108.71 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.935 -179.864 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 639' ' ' ASP . . . . . 0.446 ' C ' ' O ' ' A' ' 638' ' ' TYR . 2.4 m-20 34.78 54.07 0.67 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.819 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 640' ' ' PHE . . . . . 0.609 ' CD2' ' O ' ' A' ' 638' ' ' TYR . 20.0 m-85 -126.31 176.29 7.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.874 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -81.13 133.73 35.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.884 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 642' ' ' LEU . . . . . 0.443 HD12 ' N ' ' A' ' 643' ' ' GLN . 0.2 OUTLIER -55.58 110.47 0.71 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 643' ' ' GLN . . . . . 0.443 ' N ' HD12 ' A' ' 642' ' ' LEU . 7.0 tp-100 -81.26 115.78 20.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.961 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 644' ' ' THR . . . . . . . . . . . . . 92.9 m -96.07 113.22 24.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.124 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 645' ' ' THR . . . . . . . . . . . . . 2.6 p -60.54 157.54 36.04 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.539 0.685 . . . . 0.0 111.154 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 646' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 139.64 40.77 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.676 2.25 . . . . 0.0 112.366 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 647' ' ' VAL . . . . . 0.455 ' CG1' HG11 ' A' ' 630' ' ' VAL . 88.9 t -68.7 132.27 33.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.115 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 648' ' ' VAL . . . . . 0.563 HG23 ' CE1' ' A' ' 655' ' ' TYR . 8.4 m -144.74 125.86 8.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.059 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 649' ' ' ARG . . . . . . . . . . . . . 11.0 ptm180 -90.84 153.13 20.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.82 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 650' ' ' GLY . . . . . . . . . . . . . . . 123.78 -176.52 16.79 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.529 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 651' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -96.32 -58.79 1.98 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.845 0.355 . . . . 0.0 110.939 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 652' ' ' HIS . . . . . . . . . . . . . 10.9 m-70 -111.0 69.29 0.64 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.587 0.708 . . . . 0.0 110.897 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 653' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 170.05 17.53 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.683 2.255 . . . . 0.0 112.31 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 654' ' ' GLU . . . . . 0.441 ' O ' ' C ' ' A' ' 655' ' ' TYR . 29.4 mt-10 -126.3 70.5 1.24 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 655' ' ' TYR . . . . . 0.563 ' CE1' HG23 ' A' ' 648' ' ' VAL . 80.9 m-85 -34.36 -54.38 0.52 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.972 -179.862 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 31.4 m-20 50.27 35.05 9.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.91 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 657' ' ' PHE . . . . . 0.426 ' CZ ' ' HB3' ' A' ' 659' ' ' SER . 4.3 t80 -98.83 120.26 38.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 7.3 m -120.14 120.91 37.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.12 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 659' ' ' SER . . . . . 0.426 ' HB3' ' CZ ' ' A' ' 657' ' ' PHE . 24.7 p -102.82 164.32 11.7 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 -179.868 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 -140.53 130.01 24.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.907 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 661' ' ' TYR . . . . . . . . . . . . . 80.2 m-85 -154.7 136.61 14.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.927 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 662' ' ' LEU . . . . . 0.421 HD13 ' C ' ' A' ' 662' ' ' LEU . 1.1 tm? -94.98 121.82 36.98 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.939 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 663' ' ' VAL . . . . . . . . . . . . . 30.4 m -128.16 137.83 56.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.11 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 664' ' ' HIS . . . . . 0.465 ' H ' ' CD2' ' A' ' 664' ' ' HIS . 3.8 p80 -101.8 100.62 10.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.85 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 665' ' ' VAL . . . . . 0.458 HG23 ' N ' ' A' ' 666' ' ' ASN . 10.6 p -175.23 140.88 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.109 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 666' ' ' ASN . . . . . 0.458 ' N ' HG23 ' A' ' 665' ' ' VAL . 71.5 m-20 -131.71 -56.9 1.0 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 667' ' ' ASP . . . . . . . . . . . . . 36.3 m-20 -63.33 -57.16 11.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.897 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 668' ' ' LEU . . . . . 0.432 HD12 ' CD ' ' A' ' 671' ' ' GLN . 3.9 mm? -66.49 -16.56 64.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 669' ' ' PHE . . . . . 0.499 ' CZ ' HD12 ' A' ' 735' ' ' LEU . 9.0 t80 -74.87 -33.87 62.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.898 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 670' ' ' LEU . . . . . . . . . . . . . 42.8 mt -85.0 -66.2 0.92 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.913 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 671' ' ' GLN . . . . . 0.438 ' CG ' ' N ' ' A' ' 672' ' ' TYR . 17.9 pt20 -39.6 -53.65 2.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 672' ' ' TYR . . . . . 0.525 ' O ' ' N ' ' A' ' 676' ' ' ASN . 4.7 t80 -47.21 -52.65 15.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.933 -179.876 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 673' ' ' ILE . . . . . . . . . . . . . 25.2 mt -68.65 -30.5 47.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.131 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 674' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 -64.53 -48.32 75.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.875 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 675' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.12 -53.06 3.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.911 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 676' ' ' ASN . . . . . 0.525 ' N ' ' O ' ' A' ' 672' ' ' TYR . 34.9 m-20 -84.35 157.84 21.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.864 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 44.8 p -140.96 170.64 15.35 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.089 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 678' ' ' ILE . . . . . . . . . . . . . 5.2 mp -92.02 118.21 37.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.111 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 34.5 m -87.36 102.13 14.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.176 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 680' ' ' LEU . . . . . 0.44 ' HB3' ' CD1' ' A' ' 698' ' ' LEU . 7.3 tt -105.38 99.5 9.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.932 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 681' ' ' GLU . . . . . 0.478 ' OE1' ' N ' ' A' ' 681' ' ' GLU . 3.9 mp0 -94.21 137.38 33.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.865 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 682' ' ' VAL . . . . . . . . . . . . . 55.7 t -108.23 144.48 16.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.142 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 683' ' ' HIS . . . . . 0.544 ' NE2' ' CE2' ' A' ' 632' ' ' PHE . 1.3 p-80 -137.1 139.93 41.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.84 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 684' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -84.35 127.46 34.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -86.77 102.55 14.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.108 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 686' ' ' TYR . . . . . 0.541 ' CD2' ' O ' ' A' ' 689' ' ' GLU . 2.9 m-85 -81.02 163.38 23.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.934 -179.861 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 687' ' ' SER . . . . . . . . . . . . . 21.0 p -67.45 -5.1 13.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.9 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 688' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -124.38 -55.31 1.65 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.134 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 689' ' ' GLU . . . . . 0.541 ' O ' ' CD2' ' A' ' 686' ' ' TYR . 1.3 tp10 -134.36 -178.4 5.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.869 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 690' ' ' TYR . . . . . 0.42 ' CD1' ' C ' ' A' ' 689' ' ' GLU . 0.5 OUTLIER -139.4 117.14 11.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.916 -179.859 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 691' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -126.67 153.04 45.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.894 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 692' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -70.33 140.62 52.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.151 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 693' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -130.81 -4.16 2.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.153 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -162.29 140.62 8.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.136 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 695' ' ' ALA . . . . . . . . . . . . . . . -132.0 147.78 52.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.12 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 696' ' ' CYS . . . . . . . . . . . . . 14.0 p -168.53 150.27 4.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 697' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -119.22 110.28 16.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.852 -179.814 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 698' ' ' LEU . . . . . 0.558 HD22 ' CE1' ' A' ' 731' ' ' TYR . 4.7 mp -68.68 143.06 54.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 699' ' ' LYS . . . . . . . . . . . . . 10.0 pttp -152.3 129.97 11.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.927 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 700' ' ' PHE . . . . . 0.441 ' CD2' ' CD1' ' A' ' 733' ' ' PHE . 0.2 OUTLIER -101.64 123.99 46.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.892 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 701' ' ' HIS . . . . . . . . . . . . . 2.6 m80 -90.25 -39.35 12.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.887 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 702' ' ' GLU . . . . . 0.462 ' CB ' HG22 ' A' ' 710' ' ' ILE . 5.4 mm-40 -59.43 -38.7 81.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.894 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 703' ' ' ILE . . . . . . . . . . . . . 10.5 tt -52.04 -15.71 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.116 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 704' ' ' LEU . . . . . . . . . . . . . 36.3 mt -83.34 -41.62 18.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.916 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 705' ' ' GLU . . . . . . . . . . . . . 64.2 mm-40 -96.66 -57.77 2.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.889 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 706' ' ' LYS . . . . . . . . . . . . . 13.1 mttp -90.6 178.34 6.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.961 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 707' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -155.95 123.8 5.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.866 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 708' ' ' GLY . . . . . . . . . . . . . . . 120.57 -145.27 17.39 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.486 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 709' ' ' ARG . . . . . . . . . . . . . 4.6 mtp180 -51.97 99.42 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.794 0.331 . . . . 0.0 110.868 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 710' ' ' ILE . . . . . 0.462 HG22 ' CB ' ' A' ' 702' ' ' GLU . 22.6 mt -137.35 131.45 44.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.156 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 711' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -97.0 142.88 28.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 712' ' ' CYS . . . . . . . . . . . . . 4.8 m -155.36 164.33 38.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.949 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 713' ' ' THR . . . . . . . . . . . . . 21.6 p -140.23 170.28 16.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.162 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 714' ' ' ALA . . . . . 0.466 ' HB1' ' CG1' ' A' ' 729' ' ' VAL . . . -144.78 143.65 30.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.13 179.838 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 715' ' ' SER . . . . . . . . . . . . . 75.6 m -87.03 161.83 17.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.835 -179.754 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 716' ' ' LEU . . . . . . . . . . . . . 11.5 mt -130.38 144.88 51.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.919 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 717' ' ' ILE . . . . . . . . . . . . . 5.3 mp -135.85 114.5 15.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.156 179.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 718' ' ' GLY . . . . . . . . . . . . . . . -55.0 146.09 28.76 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.467 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 719' ' ' THR . . . . . . . . . . . . . 27.9 p -91.81 -63.79 1.2 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.9 0.381 . . . . 0.0 111.153 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 720' ' ' LYS . . . . . 0.461 ' HE3' ' N ' ' A' ' 720' ' ' LYS . 0.1 OUTLIER -75.53 48.61 0.45 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 179.891 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 721' ' ' GLY . . . . . . . . . . . . . . . 178.52 -29.04 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.511 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 722' ' ' ASP . . . . . . . . . . . . . 24.8 t70 68.41 45.07 1.21 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.768 0.318 . . . . 0.0 110.918 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 723' ' ' ILE . . . . . 0.405 ' HA ' ' HD2' ' A' ' 724' ' ' PRO . 69.7 mt -94.92 106.68 26.5 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.608 0.718 . . . . 0.0 111.144 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 724' ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' A' ' 723' ' ' ILE . 53.6 Cg_endo -69.75 -35.28 12.95 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.69 2.26 . . . . 0.0 112.363 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 725' ' ' ASN . . . . . 0.449 ' O ' ' CB ' ' A' ' 617' ' ' SER . 36.2 m-20 -84.09 34.66 0.51 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.919 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 726' ' ' PHE . . . . . 0.483 ' CE1' HG23 ' A' ' 620' ' ' VAL . 8.3 t80 -60.89 -38.84 87.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.904 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 727' ' ' GLY . . . . . . . . . . . . . . . 142.95 173.24 14.47 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.462 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 728' ' ' THR . . . . . . . . . . . . . 3.3 m -119.77 144.78 47.1 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.845 0.355 . . . . 0.0 111.137 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 729' ' ' VAL . . . . . 0.466 ' CG1' ' HB1' ' A' ' 714' ' ' ALA . 9.1 p -103.07 134.46 44.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.08 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -107.35 139.97 41.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 731' ' ' TYR . . . . . 0.558 ' CE1' HD22 ' A' ' 698' ' ' LEU . 42.1 p90 -155.14 177.47 11.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.928 -179.876 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 732' ' ' TRP . . . . . 0.572 ' CZ2' ' HB2' ' A' ' 734' ' ' ARG . 26.8 t90 -147.88 129.29 14.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.975 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 733' ' ' PHE . . . . . 0.441 ' CD1' ' CD2' ' A' ' 700' ' ' PHE . 18.5 p90 -126.54 150.93 48.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.865 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 734' ' ' ARG . . . . . 0.572 ' HB2' ' CZ2' ' A' ' 732' ' ' TRP . 58.9 ttt180 -148.99 111.97 4.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 735' ' ' LEU . . . . . 0.499 HD12 ' CZ ' ' A' ' 669' ' ' PHE . 3.6 mm? -103.55 108.34 19.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.958 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 736' ' ' ARG . . . . . . . . . . . . . 9.3 tpp85 -139.56 135.94 33.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 737' ' ' VAL . . . . . . . . . . . . . 7.9 p -47.49 131.94 4.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.135 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 738' ' ' SER . . . . . . . . . . . . . 24.8 t . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.887 -179.828 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 604' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.797 0.332 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 605' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -121.13 173.83 7.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.848 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 606' ' ' LEU . . . . . . . . . . . . . 8.3 tp -140.6 139.28 34.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.905 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 607' ' ' PHE . . . . . 0.535 ' CG ' ' CZ ' ' A' ' 637' ' ' PHE . 8.0 t80 -139.52 139.46 36.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 608' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -150.2 168.27 24.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.902 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 609' ' ' ILE . . . . . 0.428 HG21 ' N ' ' A' ' 610' ' ' HIS . 79.5 mt -147.11 134.39 14.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.107 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 610' ' ' HIS . . . . . 0.47 ' HB3' ' NE1' ' A' ' 732' ' ' TRP . 73.7 t60 -131.05 138.5 49.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.834 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 41.9 mm -107.69 133.17 53.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.161 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 612' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -84.59 -64.62 1.13 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 613' ' ' LYS . . . . . . . . . . . . . 2.1 pttm -167.89 163.59 13.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.912 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 614' ' ' VAL . . . . . . . . . . . . . 92.7 t -122.71 121.74 64.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.13 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 615' ' ' THR . . . . . 0.412 HG22 ' N ' ' A' ' 616' ' ' PHE . 14.0 m -89.4 161.21 16.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.144 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 616' ' ' PHE . . . . . 0.511 ' HB3' ' CG2' ' A' ' 620' ' ' VAL . 23.8 m-85 -135.79 146.59 47.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 1.1 t -90.54 171.65 9.26 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.859 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 618' ' ' SER . . . . . . . . . . . . . 66.1 m -63.09 -20.32 65.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.842 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 619' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -63.16 -66.61 0.52 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.878 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 620' ' ' VAL . . . . . 0.558 HG11 ' CZ ' ' A' ' 726' ' ' PHE . 35.9 m -52.04 -27.54 9.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.107 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 621' ' ' LEU . . . . . 0.448 ' CD2' HD11 ' A' ' 651' ' ' LEU . 80.4 mt -72.07 -61.61 1.73 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.954 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 622' ' ' GLN . . . . . . . . . . . . . 58.4 mm-40 -48.62 -46.07 39.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.912 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -66.21 -38.14 87.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.03 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 19.4 m -66.93 -65.42 0.68 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.84 -179.75 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 625' ' ' GLY . . . . . . . . . . . . . . . 132.97 -166.95 23.5 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.47 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 626' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -93.76 44.12 1.12 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.874 0.368 . . . . 0.0 110.868 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 17.9 mtpt -139.78 110.74 6.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 26.4 mp0 -38.65 100.2 0.2 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.629 0.728 . . . . 0.0 110.88 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 629' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 111.06 2.71 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.695 2.263 . . . . 0.0 112.366 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 630' ' ' VAL . . . . . . . . . . . . . 11.7 t -81.91 112.09 19.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.148 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 631' ' ' THR . . . . . . . . . . . . . 14.4 p -133.3 167.09 21.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.146 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 632' ' ' PHE . . . . . 0.641 ' CE1' ' NE2' ' A' ' 683' ' ' HIS . 42.9 p90 -144.46 158.56 43.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 633' ' ' CYS . . . . . 0.416 ' O ' ' CG2' ' A' ' 645' ' ' THR . 0.8 OUTLIER -105.69 158.9 16.39 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 -179.895 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 634' ' ' THR . . . . . 0.4 HG22 ' C ' ' A' ' 633' ' ' CYS . 65.9 p -149.05 146.61 27.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.128 -179.868 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 635' ' ' TYR . . . . . . . . . . . . . 43.6 p90 -174.85 146.3 0.91 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.931 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 636' ' ' ALA . . . . . . . . . . . . . . . -112.7 159.82 18.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.057 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 637' ' ' PHE . . . . . 0.535 ' CZ ' ' CG ' ' A' ' 607' ' ' PHE . 48.8 t80 -120.57 145.28 47.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.851 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 638' ' ' TYR . . . . . 0.502 ' HB3' ' CD2' ' A' ' 640' ' ' PHE . 2.6 t80 41.66 32.47 0.25 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 639' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 59.65 42.42 17.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.907 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 640' ' ' PHE . . . . . 0.502 ' CD2' ' HB3' ' A' ' 638' ' ' TYR . 16.6 m-85 -103.46 -179.69 4.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.923 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 2.0 pm0 -41.64 129.22 3.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.905 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 642' ' ' LEU . . . . . 0.538 ' CD1' ' C ' ' A' ' 642' ' ' LEU . 0.8 OUTLIER -64.9 109.63 2.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.927 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 643' ' ' GLN . . . . . . . . . . . . . 2.7 tp60 -84.09 117.27 23.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 644' ' ' THR . . . . . . . . . . . . . 95.9 m -92.71 122.45 35.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.118 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 645' ' ' THR . . . . . 0.416 ' CG2' ' O ' ' A' ' 633' ' ' CYS . 11.8 p -71.07 151.58 94.84 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.608 0.718 . . . . 0.0 111.148 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 646' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 115.11 3.93 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.691 2.261 . . . . 0.0 112.369 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 647' ' ' VAL . . . . . 0.457 HG21 ' N ' ' A' ' 648' ' ' VAL . 7.1 p -68.31 143.37 15.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.123 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 648' ' ' VAL . . . . . 0.457 ' N ' HG21 ' A' ' 647' ' ' VAL . 11.3 m -145.63 150.33 15.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.108 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 649' ' ' ARG . . . . . . . . . . . . . 7.1 ptt180 -84.69 126.24 33.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 650' ' ' GLY . . . . . . . . . . . . . . . 144.97 163.77 10.27 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.462 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 651' ' ' LEU . . . . . 0.448 HD11 ' CD2' ' A' ' 621' ' ' LEU . 3.8 mm? -86.75 -49.29 7.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.845 0.355 . . . . 0.0 110.897 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 652' ' ' HIS . . . . . 0.435 ' CD2' ' N ' ' A' ' 652' ' ' HIS . 0.6 OUTLIER -118.64 61.83 4.95 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.591 0.71 . . . . 0.0 110.82 179.902 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 653' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -176.47 1.5 Allowed 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.694 2.263 . . . . 0.0 112.34 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 72.3 mt-10 -134.83 78.48 1.74 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.872 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 655' ' ' TYR . . . . . . . . . . . . . 18.1 m-85 -45.71 -57.04 4.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.981 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 56.55 47.42 18.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.925 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 657' ' ' PHE . . . . . . . . . . . . . 20.9 t80 -94.86 124.89 39.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.836 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 3.5 m -113.94 148.32 37.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.14 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 7.2 p -152.57 166.18 32.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.832 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 660' ' ' GLN . . . . . 0.529 ' O ' ' CD1' ' A' ' 661' ' ' TYR . 38.2 mt-30 -149.98 146.56 27.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.846 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 661' ' ' TYR . . . . . 0.529 ' CD1' ' O ' ' A' ' 660' ' ' GLN . 21.6 m-85 -149.16 120.79 8.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 662' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -80.85 102.65 10.17 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.942 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 663' ' ' VAL . . . . . . . . . . . . . 17.6 m -124.54 135.06 65.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.182 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 664' ' ' HIS . . . . . . . . . . . . . 51.0 p-80 -108.61 119.39 39.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.852 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 665' ' ' VAL . . . . . . . . . . . . . 2.2 t -148.89 170.72 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.125 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 666' ' ' ASN . . . . . 0.501 ' O ' ' N ' ' A' ' 668' ' ' LEU . 2.3 m-80 -115.38 -174.5 2.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 667' ' ' ASP . . . . . 0.443 ' C ' ' O ' ' A' ' 666' ' ' ASN . 6.8 m-20 -34.83 -32.01 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 668' ' ' LEU . . . . . 0.501 ' N ' ' O ' ' A' ' 666' ' ' ASN . 4.3 mm? -46.89 -51.32 17.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 669' ' ' PHE . . . . . 0.448 ' C ' ' O ' ' A' ' 668' ' ' LEU . 7.0 t80 -34.44 -32.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 670' ' ' LEU . . . . . 0.5 ' N ' ' O ' ' A' ' 668' ' ' LEU . 69.1 mt -68.91 -61.7 1.69 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.922 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 671' ' ' GLN . . . . . 0.445 ' C ' ' O ' ' A' ' 670' ' ' LEU . 6.7 pt20 -34.81 -44.45 0.22 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 672' ' ' TYR . . . . . 0.433 ' N ' ' CG ' ' A' ' 671' ' ' GLN . 5.0 t80 -57.6 -44.68 85.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.948 -179.853 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 673' ' ' ILE . . . . . 0.5 ' N ' ' O ' ' A' ' 670' ' ' LEU . 72.5 mt -62.44 -44.28 99.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.129 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 674' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -70.9 -63.77 1.03 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.901 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 675' ' ' LYS . . . . . . . . . . . . . 12.1 mtmm -55.76 -60.87 2.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 676' ' ' ASN . . . . . 0.4 ' O ' ' O ' ' A' ' 672' ' ' TYR . 9.7 m-80 -102.1 167.62 9.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.878 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 38.5 p -140.61 167.26 22.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.089 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 678' ' ' ILE . . . . . . . . . . . . . 16.6 mt -88.2 148.26 4.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.195 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 17.8 m -116.86 123.81 47.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.147 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 680' ' ' LEU . . . . . 0.491 ' CD2' ' O ' ' A' ' 680' ' ' LEU . 3.8 tt -131.88 98.47 4.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.949 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 681' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -101.03 140.55 35.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 682' ' ' VAL . . . . . . . . . . . . . 60.1 t -110.68 126.92 68.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.156 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 683' ' ' HIS . . . . . 0.641 ' NE2' ' CE1' ' A' ' 632' ' ' PHE . 7.4 p-80 -119.16 153.07 35.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 684' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 -84.64 142.64 29.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.939 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -95.49 112.72 24.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.126 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 686' ' ' TYR . . . . . . . . . . . . . 38.5 m-85 -105.15 167.05 9.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.914 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 687' ' ' SER . . . . . . . . . . . . . 3.6 m -44.06 -65.08 0.55 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.836 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 688' ' ' THR . . . . . . . . . . . . . 11.7 t -132.77 37.83 3.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.154 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 689' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -139.98 166.52 24.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.867 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 690' ' ' TYR . . . . . . . . . . . . . 90.0 m-85 -154.1 117.18 4.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.875 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 691' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -147.34 147.29 30.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.841 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 692' ' ' THR . . . . . 0.468 HG21 ' CG2' ' A' ' 719' ' ' THR . 0.6 OUTLIER -93.2 145.8 24.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.153 -179.954 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 693' ' ' ILE . . . . . 0.494 ' N ' HG23 ' A' ' 719' ' ' THR . 1.4 pp -134.42 1.3 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.155 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 694' ' ' ALA . . . . . 0.566 ' HB2' ' CZ ' ' A' ' 726' ' ' PHE . . . -148.32 144.69 27.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.109 179.824 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 695' ' ' ALA . . . . . . . . . . . . . . . -157.53 139.93 14.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.082 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 696' ' ' CYS . . . . . . . . . . . . . 21.3 p -154.74 166.65 32.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 697' ' ' GLN . . . . . . . . . . . . . 64.3 mm-40 -117.07 110.11 17.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.923 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 698' ' ' LEU . . . . . . . . . . . . . 13.9 mt -75.56 133.8 40.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.934 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 699' ' ' LYS . . . . . . . . . . . . . 6.6 pttt -153.85 124.02 6.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.848 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 700' ' ' PHE . . . . . 0.626 ' CD2' ' CD1' ' A' ' 733' ' ' PHE . 1.5 m-85 -99.23 125.27 44.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 701' ' ' HIS . . . . . . . . . . . . . 70.3 m-70 -89.3 -45.16 9.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.856 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 702' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -56.81 -31.11 64.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 703' ' ' ILE . . . . . 0.563 HD13 ' CD2' ' A' ' 733' ' ' PHE . 10.9 tt -57.03 -11.65 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.137 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 704' ' ' LEU . . . . . . . . . . . . . 20.9 mt -86.92 -48.24 8.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 705' ' ' GLU . . . . . 0.47 ' CG ' ' HG2' ' A' ' 706' ' ' LYS . 15.3 pt-20 -79.66 -44.95 19.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.908 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 706' ' ' LYS . . . . . 0.47 ' HG2' ' CG ' ' A' ' 705' ' ' GLU . 13.9 ptpt -120.48 175.19 6.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 707' ' ' SER . . . . . . . . . . . . . 1.1 t -152.07 137.4 17.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.845 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 708' ' ' GLY . . . . . 0.403 ' O ' ' O ' ' A' ' 733' ' ' PHE . . . 109.82 -112.69 3.42 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.487 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 709' ' ' ARG . . . . . . . . . . . . . 5.8 tmm_? -69.94 84.09 0.49 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.788 0.327 . . . . 0.0 110.894 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 710' ' ' ILE . . . . . 0.4 HD12 ' C ' ' A' ' 706' ' ' LYS . 12.0 mt -136.97 139.33 44.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.157 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 711' ' ' PHE . . . . . . . . . . . . . 46.7 m-85 -119.48 147.98 43.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 712' ' ' CYS . . . . . . . . . . . . . 5.3 t -163.37 162.82 25.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 713' ' ' THR . . . . . . . . . . . . . 28.6 p -130.14 170.75 13.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.095 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 714' ' ' ALA . . . . . . . . . . . . . . . -146.66 136.77 23.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.105 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 715' ' ' SER . . . . . . . . . . . . . 11.9 t -78.04 140.73 39.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.813 -179.745 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 716' ' ' LEU . . . . . . . . . . . . . 7.3 mt -108.81 139.96 42.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.898 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 717' ' ' ILE . . . . . 0.467 ' N ' HD12 ' A' ' 717' ' ' ILE . 4.2 mp -136.02 142.99 37.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.102 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 718' ' ' GLY . . . . . 0.477 ' O ' ' N ' ' A' ' 721' ' ' GLY . . . -40.9 144.84 0.53 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.492 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 719' ' ' THR . . . . . 0.494 HG23 ' N ' ' A' ' 693' ' ' ILE . 0.8 OUTLIER -43.42 -39.07 3.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.81 0.338 . . . . 0.0 111.123 -179.835 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 720' ' ' LYS . . . . . 0.483 ' N ' ' HD3' ' A' ' 720' ' ' LYS . 0.0 OUTLIER -83.55 25.5 0.75 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.883 179.902 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 721' ' ' GLY . . . . . 0.477 ' N ' ' O ' ' A' ' 718' ' ' GLY . . . 33.74 53.39 0.65 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.49 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 722' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -131.01 -30.32 1.79 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.808 0.337 . . . . 0.0 110.854 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 723' ' ' ILE . . . . . 0.413 ' O ' ' HA ' ' A' ' 717' ' ' ILE . 77.4 mt -97.42 103.31 15.51 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.589 0.709 . . . . 0.0 111.118 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 724' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -52.6 0.32 Allowed 'Trans proline' 0 N--CA 1.466 -0.145 0 C-N-CA 122.709 2.273 . . . . 0.0 112.356 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 725' ' ' ASN . . . . . . . . . . . . . 22.4 m-20 -73.97 81.21 1.69 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 726' ' ' PHE . . . . . 0.566 ' CZ ' ' HB2' ' A' ' 694' ' ' ALA . 2.3 t80 -114.11 -30.64 6.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.887 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 727' ' ' GLY . . . . . . . . . . . . . . . 140.98 168.33 11.38 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.501 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 728' ' ' THR . . . . . . . . . . . . . 24.6 m -116.03 148.84 39.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.843 0.354 . . . . 0.0 111.14 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 729' ' ' VAL . . . . . . . . . . . . . 10.3 p -109.95 129.6 64.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.143 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -113.13 110.51 20.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 731' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -137.75 168.39 19.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.959 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 732' ' ' TRP . . . . . 0.47 ' NE1' ' HB3' ' A' ' 610' ' ' HIS . 48.6 p-90 -142.92 125.29 15.6 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.959 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 733' ' ' PHE . . . . . 0.626 ' CD1' ' CD2' ' A' ' 700' ' ' PHE . 49.4 p90 -110.5 165.07 12.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.884 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 734' ' ' ARG . . . . . 0.421 ' C ' ' HD3' ' A' ' 734' ' ' ARG . 0.4 OUTLIER -161.18 124.08 3.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 -179.896 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 735' ' ' LEU . . . . . . . . . . . . . 8.2 tp -131.19 104.7 7.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.939 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 736' ' ' ARG . . . . . 0.444 ' O ' ' C ' ' A' ' 737' ' ' VAL . 3.7 tpt180 -144.15 135.08 25.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.847 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 737' ' ' VAL . . . . . 0.444 ' C ' ' O ' ' A' ' 736' ' ' ARG . 4.0 p -33.75 134.39 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.121 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 738' ' ' SER . . . . . . . . . . . . . 11.7 p . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.865 -179.862 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 604' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.843 0.354 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 605' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -134.48 130.5 36.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 606' ' ' LEU . . . . . . . . . . . . . 6.6 tt -129.02 146.04 51.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 607' ' ' PHE . . . . . 0.411 ' CD2' ' CE1' ' A' ' 637' ' ' PHE . 9.3 t80 -120.76 134.96 55.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 608' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -148.04 129.94 15.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.886 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 609' ' ' ILE . . . . . . . . . . . . . 59.5 mt -111.44 140.94 28.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.149 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 610' ' ' HIS . . . . . 0.557 ' CE1' ' HA ' ' A' ' 656' ' ' ASN . 8.5 t-80 -131.23 113.16 13.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.876 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 49.7 mm -79.32 106.52 10.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.158 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 612' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -60.86 -65.46 0.69 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 613' ' ' LYS . . . . . . . . . . . . . 16.0 ptmt -163.96 178.59 7.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.923 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 614' ' ' VAL . . . . . . . . . . . . . 79.1 t -129.24 117.91 44.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.11 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 615' ' ' THR . . . . . . . . . . . . . 66.2 m -93.71 133.5 37.0 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.173 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 616' ' ' PHE . . . . . 0.455 ' CD1' HG12 ' A' ' 620' ' ' VAL . 47.3 m-85 -101.63 166.01 10.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.847 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 617' ' ' SER . . . . . 0.495 ' CB ' ' O ' ' A' ' 725' ' ' ASN . 0.9 OUTLIER -103.71 161.11 14.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.889 -179.82 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 618' ' ' SER . . . . . . . . . . . . . 31.9 p -45.47 -41.43 9.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.813 -179.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 619' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -59.39 -43.16 92.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.901 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 620' ' ' VAL . . . . . 0.455 HG12 ' CD1' ' A' ' 616' ' ' PHE . 30.3 t -67.38 -39.34 82.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.146 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 621' ' ' LEU . . . . . 0.411 ' CD2' HD21 ' A' ' 651' ' ' LEU . 39.5 mt -67.06 -47.82 70.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.907 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 622' ' ' GLN . . . . . . . . . . . . . 35.5 mm-40 -70.97 -49.69 42.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.929 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -43.37 -40.94 3.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.096 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 15.5 m -64.63 -46.11 83.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 625' ' ' GLY . . . . . . . . . . . . . . . 91.47 -141.8 15.81 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.503 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 626' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -80.57 41.58 0.56 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.875 0.369 . . . . 0.0 110.835 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 13.3 ptpt -151.01 176.54 11.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.946 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -123.2 123.47 26.63 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.636 0.732 . . . . 0.0 110.882 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 629' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 145.8 58.24 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.725 2.284 . . . . 0.0 112.343 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 630' ' ' VAL . . . . . . . . . . . . . 13.2 t -122.81 112.68 35.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.114 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 631' ' ' THR . . . . . . . . . . . . . 34.4 p -139.07 178.67 7.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.152 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 632' ' ' PHE . . . . . . . . . . . . . 35.7 p90 -146.07 174.43 11.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 633' ' ' CYS . . . . . . . . . . . . . 61.6 m -117.16 151.13 37.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 634' ' ' THR . . . . . . . . . . . . . 23.3 p -150.01 124.43 9.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.09 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 635' ' ' TYR . . . . . . . . . . . . . 28.8 p90 -152.88 177.74 10.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 636' ' ' ALA . . . . . . . . . . . . . . . -149.4 149.26 30.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.101 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 637' ' ' PHE . . . . . 0.508 ' O ' ' N ' ' A' ' 640' ' ' PHE . 78.1 t80 -115.07 156.04 25.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.91 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 638' ' ' TYR . . . . . 0.477 ' C ' ' O ' ' A' ' 637' ' ' PHE . 12.8 t80 31.6 38.37 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 -179.865 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 639' ' ' ASP . . . . . 0.478 ' N ' ' O ' ' A' ' 637' ' ' PHE . 34.0 t70 58.65 50.27 9.18 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.885 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 640' ' ' PHE . . . . . 0.508 ' N ' ' O ' ' A' ' 637' ' ' PHE . 4.2 m-85 -99.0 173.13 6.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.913 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -56.38 116.63 3.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 642' ' ' LEU . . . . . 0.491 ' C ' HD11 ' A' ' 642' ' ' LEU . 0.4 OUTLIER -50.95 113.11 0.83 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.892 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 643' ' ' GLN . . . . . . . . . . . . . 4.7 tp60 -82.33 147.65 28.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 644' ' ' THR . . . . . . . . . . . . . 28.9 m -116.13 111.37 20.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.12 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 645' ' ' THR . . . . . . . . . . . . . 60.7 p -70.48 153.65 94.92 Favored Pre-proline 0 C--N 1.33 -0.283 0 CA-C-O 121.545 0.688 . . . . 0.0 111.152 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 646' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.7 125.04 11.71 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.648 2.232 . . . . 0.0 112.33 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 647' ' ' VAL . . . . . . . . . . . . . 60.2 t -68.04 122.42 19.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.123 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 39.1 t -121.74 130.88 74.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.07 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 649' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -93.58 135.81 34.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.899 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 650' ' ' GLY . . . . . . . . . . . . . . . 149.42 -132.57 4.1 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.507 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 651' ' ' LEU . . . . . 0.434 ' HB3' ' CD2' ' A' ' 652' ' ' HIS . 7.3 mt -159.78 104.99 1.58 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.826 0.346 . . . . 0.0 110.949 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 652' ' ' HIS . . . . . 0.522 ' N ' ' CD ' ' A' ' 653' ' ' PRO . 16.6 m-70 74.76 49.78 0.21 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.583 0.706 . . . . 0.0 110.882 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 653' ' ' PRO . . . . . 0.522 ' CD ' ' N ' ' A' ' 652' ' ' HIS . 53.7 Cg_endo -69.75 174.42 9.52 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.702 2.268 . . . . 0.0 112.351 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 654' ' ' GLU . . . . . 0.428 ' HB3' ' ND2' ' A' ' 656' ' ' ASN . 63.9 mt-10 -120.9 80.49 1.64 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.944 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 655' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -51.35 -55.98 15.53 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.915 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 656' ' ' ASN . . . . . 0.557 ' HA ' ' CE1' ' A' ' 610' ' ' HIS . 2.2 m-80 60.02 44.2 13.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.903 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 657' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -88.77 151.98 22.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.891 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 55.8 m -134.55 149.08 50.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.147 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 89.3 p -132.25 153.74 50.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.821 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -132.24 130.47 40.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.895 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 661' ' ' TYR . . . . . . . . . . . . . 75.7 m-85 -153.91 122.02 6.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 662' ' ' LEU . . . . . 0.419 HD12 ' C ' ' A' ' 662' ' ' LEU . 0.3 OUTLIER -89.65 118.01 28.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.932 179.933 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 663' ' ' VAL . . . . . 0.405 ' N ' HD12 ' A' ' 662' ' ' LEU . 28.8 m -133.28 114.25 20.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.124 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 664' ' ' HIS . . . . . . . . . . . . . 22.5 p-80 -93.78 98.17 10.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.879 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 665' ' ' VAL . . . . . . . . . . . . . 4.8 m -159.7 152.08 5.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.128 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 666' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -115.82 -66.59 1.07 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 667' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -74.91 -63.23 1.3 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 9.1 mp -40.39 -38.37 0.81 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.905 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 669' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -47.84 -55.44 9.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.925 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 670' ' ' LEU . . . . . . . . . . . . . 50.9 mt -71.01 -51.18 26.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.898 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 671' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -42.92 -49.96 5.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.918 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 672' ' ' TYR . . . . . 0.44 ' CD1' ' C ' ' A' ' 672' ' ' TYR . 0.9 OUTLIER -59.46 -41.83 90.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.929 -179.885 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 673' ' ' ILE . . . . . . . . . . . . . 88.7 mt -61.53 -61.07 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.135 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 674' ' ' GLN . . . . . . . . . . . . . 22.3 pt20 -58.19 -45.8 86.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.932 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 675' ' ' LYS . . . . . . . . . . . . . 81.5 mttt -67.09 -68.92 0.34 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.938 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 676' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -100.23 151.69 21.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 61.3 p -121.24 168.35 11.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.113 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 678' ' ' ILE . . . . . . . . . . . . . 5.3 mp -87.81 116.47 29.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.118 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 11.5 m -87.61 104.62 16.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.173 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 680' ' ' LEU . . . . . 0.434 ' CB ' HD11 ' A' ' 698' ' ' LEU . 7.0 tt -115.84 108.15 15.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.886 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 681' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -112.28 135.84 52.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 682' ' ' VAL . . . . . . . . . . . . . 95.8 t -99.12 99.43 8.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.144 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 683' ' ' HIS . . . . . . . . . . . . . 4.3 m170 -90.86 141.58 28.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.799 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 684' ' ' GLN . . . . . 0.519 ' HB3' ' CZ ' ' A' ' 686' ' ' TYR . 22.4 tt0 -91.23 146.78 23.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -98.36 113.6 25.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.088 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 686' ' ' TYR . . . . . 0.519 ' CZ ' ' HB3' ' A' ' 684' ' ' GLN . 1.0 OUTLIER -107.6 168.78 9.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.959 -179.879 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 687' ' ' SER . . . . . . . . . . . . . 29.2 p -40.33 94.52 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.842 -179.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 688' ' ' THR . . . . . 0.452 ' N ' ' O ' ' A' ' 686' ' ' TYR . 69.2 p 50.1 44.03 25.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.171 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 689' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -142.79 165.96 25.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.89 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 690' ' ' TYR . . . . . . . . . . . . . 33.6 m-85 -152.42 121.65 6.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.926 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 691' ' ' GLU . . . . . 0.416 ' HG2' ' N ' ' A' ' 692' ' ' THR . 26.4 tt0 -149.16 153.44 37.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.854 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 692' ' ' THR . . . . . 0.416 ' N ' ' HG2' ' A' ' 691' ' ' GLU . 94.4 m -82.78 140.9 32.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.141 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 693' ' ' ILE . . . . . 0.468 HG13 ' N ' ' A' ' 694' ' ' ALA . 26.1 pt -130.92 -31.31 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.139 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 694' ' ' ALA . . . . . 0.468 ' N ' HG13 ' A' ' 693' ' ' ILE . . . -131.29 139.5 49.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.085 179.804 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 695' ' ' ALA . . . . . . . . . . . . . . . -145.81 136.65 24.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.14 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 696' ' ' CYS . . . . . . . . . . . . . 31.0 p -151.58 155.44 38.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 697' ' ' GLN . . . . . . . . . . . . . 7.0 mm100 -103.79 108.65 20.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.906 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 698' ' ' LEU . . . . . 0.434 HD11 ' CB ' ' A' ' 680' ' ' LEU . 87.8 mt -84.5 128.1 34.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 699' ' ' LYS . . . . . 0.539 ' HD2' ' CE1' ' A' ' 701' ' ' HIS . 9.7 ptpt -152.79 136.26 15.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 179.809 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 700' ' ' PHE . . . . . 0.717 ' CD1' ' CD1' ' A' ' 733' ' ' PHE . 10.3 m-85 -99.98 125.78 46.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.882 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 701' ' ' HIS . . . . . 0.539 ' CE1' ' HD2' ' A' ' 699' ' ' LYS . 14.9 m80 -91.9 -51.16 5.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 702' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -48.14 -44.74 32.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 703' ' ' ILE . . . . . 0.47 HG22 ' N ' ' A' ' 704' ' ' LEU . 12.8 tt -46.01 -25.33 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.163 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 704' ' ' LEU . . . . . 0.47 ' N ' HG22 ' A' ' 703' ' ' ILE . 38.3 mt -66.3 -40.53 90.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.921 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 705' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -98.09 -58.53 1.96 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.911 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 706' ' ' LYS . . . . . . . . . . . . . 28.2 mtpt -82.63 176.34 9.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.915 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 707' ' ' SER . . . . . . . . . . . . . 58.5 m -149.62 106.41 3.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.824 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 708' ' ' GLY . . . . . . . . . . . . . . . 141.12 -150.0 21.47 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.448 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 709' ' ' ARG . . . . . 0.436 ' C ' HG13 ' A' ' 710' ' ' ILE . 24.3 ptt-85 -65.82 120.36 12.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.805 0.336 . . . . 0.0 110.869 -179.837 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 710' ' ' ILE . . . . . 0.554 ' HB ' ' CZ ' ' A' ' 733' ' ' PHE . 26.7 mt -144.51 106.54 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.118 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 711' ' ' PHE . . . . . . . . . . . . . 17.0 m-85 -57.85 140.97 50.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 712' ' ' CYS . . . . . . . . . . . . . 5.4 t -164.04 166.29 21.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.932 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 713' ' ' THR . . . . . . . . . . . . . 21.3 p -147.38 170.83 16.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.128 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 714' ' ' ALA . . . . . . . . . . . . . . . -145.22 148.63 33.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.126 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 715' ' ' SER . . . . . . . . . . . . . 60.4 p -88.62 156.48 19.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.853 -179.761 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 716' ' ' LEU . . . . . . . . . . . . . 8.9 mt -124.99 139.34 53.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 717' ' ' ILE . . . . . 0.47 HG21 ' N ' ' A' ' 718' ' ' GLY . 4.9 mp -125.82 142.98 40.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.163 179.827 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 718' ' ' GLY . . . . . 0.47 ' N ' HG21 ' A' ' 717' ' ' ILE . . . -74.58 135.46 19.42 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.457 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 719' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -81.27 -45.52 16.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.831 0.348 . . . . 0.0 111.146 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 720' ' ' LYS . . . . . 0.502 ' HD2' ' N ' ' A' ' 720' ' ' LYS . 4.7 mmmm -99.15 -41.66 7.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.902 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 721' ' ' GLY . . . . . . . . . . . . . . . -71.51 -22.87 78.59 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.504 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 722' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 62.8 45.81 5.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.827 0.346 . . . . 0.0 110.914 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 723' ' ' ILE . . . . . . . . . . . . . 64.0 mt -103.54 106.5 52.3 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.638 0.732 . . . . 0.0 111.122 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 724' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -30.35 22.61 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.705 2.27 . . . . 0.0 112.344 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 725' ' ' ASN . . . . . 0.495 ' O ' ' CB ' ' A' ' 617' ' ' SER . 77.5 m-20 -101.03 41.03 1.21 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.831 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 726' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -55.55 -48.99 73.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.875 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 727' ' ' GLY . . . . . . . . . . . . . . . 160.77 -170.65 36.72 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.502 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 728' ' ' THR . . . . . . . . . . . . . 15.9 m -131.09 149.18 52.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.776 0.322 . . . . 0.0 111.187 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 729' ' ' VAL . . . . . . . . . . . . . 7.5 p -104.69 139.15 26.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.141 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -106.58 112.15 25.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.915 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 731' ' ' TYR . . . . . . . . . . . . . 10.5 p90 -143.72 174.52 10.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.902 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 732' ' ' TRP . . . . . 0.514 ' CE2' ' HB3' ' A' ' 610' ' ' HIS . 61.4 p-90 -157.21 136.0 11.59 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.938 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 733' ' ' PHE . . . . . 0.717 ' CD1' ' CD1' ' A' ' 700' ' ' PHE . 14.3 p90 -112.41 135.02 53.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.887 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 734' ' ' ARG . . . . . . . . . . . . . 16.9 ttm180 -129.63 112.37 13.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.892 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 735' ' ' LEU . . . . . . . . . . . . . 18.5 tp -111.55 105.04 13.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.91 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 736' ' ' ARG . . . . . 0.456 ' HD3' ' CG1' ' A' ' 737' ' ' VAL . 1.8 tmt_? -147.13 145.69 29.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 737' ' ' VAL . . . . . 0.472 HG23 ' N ' ' A' ' 738' ' ' SER . 14.5 p -35.04 144.67 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.112 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 738' ' ' SER . . . . . 0.472 ' N ' HG23 ' A' ' 737' ' ' VAL . 33.3 t . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 604' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.854 0.359 . . . . 0.0 110.895 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 605' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -140.13 160.72 39.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 606' ' ' LEU . . . . . . . . . . . . . 9.9 tp -140.26 112.82 7.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.938 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 607' ' ' PHE . . . . . 0.578 ' CD2' ' CZ ' ' A' ' 669' ' ' PHE . 4.2 t80 -117.36 127.74 54.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 608' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -149.2 158.19 43.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 609' ' ' ILE . . . . . . . . . . . . . 42.3 mt -132.39 138.27 52.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.128 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 610' ' ' HIS . . . . . 0.438 ' NE2' ' ND2' ' A' ' 612' ' ' ASN . 4.5 t60 -125.96 128.88 48.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.831 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 41.8 mm -103.55 99.19 7.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.163 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 612' ' ' ASN . . . . . 0.438 ' ND2' ' NE2' ' A' ' 610' ' ' HIS . 1.1 m120 -60.78 -67.88 0.36 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.879 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 613' ' ' LYS . . . . . . . . . . . . . 21.7 pttm -158.31 170.45 22.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 614' ' ' VAL . . . . . . . . . . . . . 9.8 p -122.58 125.32 72.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.148 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 615' ' ' THR . . . . . . . . . . . . . 5.4 m -94.93 143.66 26.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.197 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 616' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -116.02 166.91 11.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.85 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -106.97 156.02 19.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.824 -179.786 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 618' ' ' SER . . . . . . . . . . . . . 14.5 m -41.18 -59.93 1.38 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.837 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 619' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -38.58 -46.67 1.22 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.855 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 620' ' ' VAL . . . . . 0.497 HG23 ' CE2' ' A' ' 726' ' ' PHE . 9.3 t -74.21 -47.02 42.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.085 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 621' ' ' LEU . . . . . . . . . . . . . 84.8 mt -48.72 -43.93 37.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 622' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -71.8 -45.44 61.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.925 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -43.99 -51.39 7.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.065 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 57.9 m -79.74 -53.88 6.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.829 -179.745 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 625' ' ' GLY . . . . . . . . . . . . . . . 118.9 -164.38 13.08 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.509 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 626' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -85.66 46.04 1.27 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.913 0.387 . . . . 0.0 110.891 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 13.2 mmmt -121.88 -175.51 3.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.926 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 628' ' ' GLU . . . . . 0.469 ' HB3' ' N ' ' A' ' 650' ' ' GLY . 49.9 mt-10 -102.78 96.36 7.58 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.653 0.74 . . . . 0.0 110.879 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 629' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 108.96 2.18 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.714 2.276 . . . . 0.0 112.328 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 630' ' ' VAL . . . . . 0.472 ' CG1' ' CG1' ' A' ' 647' ' ' VAL . 1.7 t -82.07 123.87 38.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.111 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 631' ' ' THR . . . . . . . . . . . . . 48.5 p -125.78 178.06 5.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.152 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 632' ' ' PHE . . . . . 0.583 ' CE2' ' CG2' ' A' ' 647' ' ' VAL . 0.7 OUTLIER -145.74 147.5 31.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 633' ' ' CYS . . . . . 0.412 ' O ' HG21 ' A' ' 645' ' ' THR . 63.8 m -129.46 144.28 51.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.854 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 634' ' ' THR . . . . . . . . . . . . . 18.4 p -154.94 146.9 23.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.129 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 635' ' ' TYR . . . . . . . . . . . . . 32.1 p90 -175.03 150.2 1.18 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 636' ' ' ALA . . . . . . . . . . . . . . . -109.4 138.26 46.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.109 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 637' ' ' PHE . . . . . 0.488 ' CE1' ' HB2' ' A' ' 638' ' ' TYR . 3.2 t80 -111.79 146.92 36.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.919 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 638' ' ' TYR . . . . . 0.488 ' HB2' ' CE1' ' A' ' 637' ' ' PHE . 9.1 t80 40.03 31.41 0.09 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 -179.838 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 639' ' ' ASP . . . . . . . . . . . . . 4.6 t0 62.73 44.8 6.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.847 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 640' ' ' PHE . . . . . 0.432 ' CD2' ' HB3' ' A' ' 638' ' ' TYR . 17.7 m-85 -103.87 179.18 4.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -53.98 131.82 41.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.909 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 642' ' ' LEU . . . . . 0.408 HD12 ' C ' ' A' ' 642' ' ' LEU . 0.8 OUTLIER -47.58 126.13 9.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 643' ' ' GLN . . . . . . . . . . . . . 3.1 tp60 -82.57 152.15 26.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.939 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 644' ' ' THR . . . . . . . . . . . . . 1.9 m -134.54 148.62 50.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.135 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 645' ' ' THR . . . . . 0.412 HG21 ' O ' ' A' ' 633' ' ' CYS . 0.4 OUTLIER -120.72 154.06 57.1 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.606 0.717 . . . . 0.0 111.117 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 646' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 129.14 17.13 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.672 2.248 . . . . 0.0 112.345 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 647' ' ' VAL . . . . . 0.583 ' CG2' ' CE2' ' A' ' 632' ' ' PHE . 97.2 t -68.42 116.45 8.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.119 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 648' ' ' VAL . . . . . 0.459 ' CG2' ' CE2' ' A' ' 655' ' ' TYR . 2.7 m -128.39 121.81 56.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.142 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 649' ' ' ARG . . . . . 0.437 ' HB3' ' CG2' ' A' ' 630' ' ' VAL . 9.5 ptp85 -84.61 134.96 34.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.847 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 650' ' ' GLY . . . . . 0.469 ' N ' ' HB3' ' A' ' 628' ' ' GLU . . . 150.76 165.22 12.56 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.518 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 651' ' ' LEU . . . . . . . . . . . . . 74.1 mt -77.44 -58.47 3.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.867 0.365 . . . . 0.0 110.949 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 652' ' ' HIS . . . . . . . . . . . . . 7.8 m170 -119.29 58.92 4.59 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-O 121.627 0.727 . . . . 0.0 110.885 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 653' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.75 165.31 31.4 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.687 2.258 . . . . 0.0 112.361 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -117.42 85.26 2.3 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 655' ' ' TYR . . . . . 0.459 ' CE2' ' CG2' ' A' ' 648' ' ' VAL . 77.9 m-85 -50.69 -49.87 56.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 -179.83 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 63.4 m-20 57.92 44.54 19.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.882 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 657' ' ' PHE . . . . . . . . . . . . . 83.6 t80 -92.21 107.51 19.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 17.8 m -118.4 127.73 53.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.157 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 47.7 m -151.67 115.36 4.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.858 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 660' ' ' GLN . . . . . 0.439 ' C ' ' OE1' ' A' ' 660' ' ' GLN . 0.1 OUTLIER -116.13 158.66 22.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.881 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 661' ' ' TYR . . . . . 0.433 ' CD1' ' C ' ' A' ' 660' ' ' GLN . 47.0 m-85 -152.06 139.79 19.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 -179.848 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 662' ' ' LEU . . . . . 0.434 HD12 ' C ' ' A' ' 662' ' ' LEU . 0.2 OUTLIER -72.39 110.12 6.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.926 179.918 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 663' ' ' VAL . . . . . . . . . . . . . 26.0 m -117.54 115.14 47.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.106 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 664' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -83.28 104.63 13.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.823 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 665' ' ' VAL . . . . . 0.438 HG23 ' N ' ' A' ' 666' ' ' ASN . 12.7 p -146.46 164.51 8.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.094 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 666' ' ' ASN . . . . . 0.451 ' O ' ' C ' ' A' ' 667' ' ' ASP . 3.7 t-20 -116.13 -176.02 2.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 667' ' ' ASP . . . . . 0.451 ' C ' ' O ' ' A' ' 666' ' ' ASN . 8.5 m-20 -34.03 -36.48 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.841 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 668' ' ' LEU . . . . . 0.445 ' N ' ' O ' ' A' ' 666' ' ' ASN . 6.0 mp -38.05 -48.03 1.17 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.936 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 669' ' ' PHE . . . . . 0.578 ' CZ ' ' CD2' ' A' ' 607' ' ' PHE . 12.1 t80 -41.74 -51.79 4.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.892 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 670' ' ' LEU . . . . . . . . . . . . . 86.9 mt -45.3 -55.09 6.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.942 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 671' ' ' GLN . . . . . 0.416 ' O ' ' C ' ' A' ' 672' ' ' TYR . 0.3 OUTLIER -45.29 -59.13 2.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 672' ' ' TYR . . . . . 0.51 ' CD1' ' C ' ' A' ' 672' ' ' TYR . 0.5 OUTLIER -37.34 -41.43 0.42 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 -179.841 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 673' ' ' ILE . . . . . 0.463 ' CD1' HG23 ' A' ' 703' ' ' ILE . 17.7 mt -64.96 -48.41 84.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.136 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 674' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -59.77 -49.24 78.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.926 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 675' ' ' LYS . . . . . . . . . . . . . 73.1 mttt -76.82 -65.49 0.94 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 676' ' ' ASN . . . . . 0.424 ' N ' ' O ' ' A' ' 672' ' ' TYR . 6.3 m-20 -93.37 159.65 15.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.905 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 7.2 p -139.32 165.86 26.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.147 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 678' ' ' ILE . . . . . . . . . . . . . 4.8 mp -88.27 118.3 33.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.134 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 679' ' ' THR . . . . . 0.441 HG23 ' NE2' ' A' ' 697' ' ' GLN . 96.6 m -99.9 101.43 12.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.192 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 680' ' ' LEU . . . . . . . . . . . . . 8.3 tt -102.43 109.86 21.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.945 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 681' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -93.81 133.14 37.52 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 682' ' ' VAL . . . . . . . . . . . . . 78.5 t -101.49 103.0 14.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.136 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 683' ' ' HIS . . . . . 0.582 ' CD2' ' HB3' ' A' ' 632' ' ' PHE . 2.2 p-80 -103.57 157.05 17.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.828 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 684' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -90.17 122.4 33.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.911 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -86.48 109.14 18.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.092 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 686' ' ' TYR . . . . . 0.446 ' O ' ' C ' ' A' ' 687' ' ' SER . 33.9 m-85 -96.48 168.92 10.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.927 -179.883 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 687' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 686' ' ' TYR . 8.9 m -34.89 -62.65 0.36 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.854 -179.862 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 688' ' ' THR . . . . . . . . . . . . . 26.2 p -134.6 29.52 3.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.12 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 689' ' ' GLU . . . . . 0.596 ' C ' ' CD1' ' A' ' 690' ' ' TYR . 2.2 tp10 -142.08 154.15 44.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 690' ' ' TYR . . . . . 0.596 ' CD1' ' C ' ' A' ' 689' ' ' GLU . 1.0 OUTLIER -143.53 117.8 9.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.913 -179.877 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 691' ' ' GLU . . . . . 0.469 ' HG3' ' N ' ' A' ' 692' ' ' THR . 5.2 tp10 -131.72 153.58 49.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.926 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 692' ' ' THR . . . . . 0.469 ' N ' ' HG3' ' A' ' 691' ' ' GLU . 10.8 m -90.25 122.21 32.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.153 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 693' ' ' ILE . . . . . . . . . . . . . 6.3 pt -108.26 -26.83 3.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.147 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -139.25 159.82 41.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.142 179.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 695' ' ' ALA . . . . . . . . . . . . . . . -156.37 139.56 15.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.093 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 696' ' ' CYS . . . . . . . . . . . . . 21.5 p -144.33 168.22 20.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 697' ' ' GLN . . . . . 0.441 ' NE2' HG23 ' A' ' 679' ' ' THR . 32.5 mm-40 -120.1 110.65 16.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.884 -179.852 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 698' ' ' LEU . . . . . . . . . . . . . 50.4 mt -79.93 129.43 34.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.911 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 699' ' ' LYS . . . . . . . . . . . . . 7.2 ptpp? -148.8 135.62 19.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.917 179.816 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 700' ' ' PHE . . . . . 0.8 ' CD1' ' CE1' ' A' ' 733' ' ' PHE . 8.5 m-85 -113.06 126.36 55.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 701' ' ' HIS . . . . . . . . . . . . . 30.4 m-70 -91.32 -56.65 3.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.881 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 702' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -55.85 -35.73 66.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.912 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 703' ' ' ILE . . . . . 0.486 ' CG2' ' HB2' ' A' ' 700' ' ' PHE . 0.0 OUTLIER -46.65 -20.65 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.14 179.913 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 704' ' ' LEU . . . . . 0.481 HD22 ' N ' ' A' ' 704' ' ' LEU . 4.2 mm? -79.64 -50.55 10.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 705' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -72.76 -44.59 61.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.897 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 706' ' ' LYS . . . . . . . . . . . . . 53.2 mtmt -94.61 -179.61 4.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.912 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 707' ' ' SER . . . . . . . . . . . . . 77.4 p -152.89 105.24 2.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.872 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 708' ' ' GLY . . . . . . . . . . . . . . . 138.71 -148.3 19.85 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.525 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 709' ' ' ARG . . . . . 0.412 ' HD2' ' C ' ' A' ' 709' ' ' ARG . 7.4 tmm_? -70.19 118.34 12.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.803 0.335 . . . . 0.0 110.863 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 710' ' ' ILE . . . . . . . . . . . . . 19.3 mt -139.03 109.86 4.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.123 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 711' ' ' PHE . . . . . . . . . . . . . 30.6 m-85 -52.39 138.99 25.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 712' ' ' CYS . . . . . . . . . . . . . 20.9 m -161.2 160.99 30.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 713' ' ' THR . . . . . . . . . . . . . 19.0 p -143.21 166.45 24.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.172 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 714' ' ' ALA . . . . . . . . . . . . . . . -146.53 149.43 33.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.099 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 715' ' ' SER . . . . . . . . . . . . . 2.9 t -95.26 153.59 17.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 -179.785 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 716' ' ' LEU . . . . . . . . . . . . . 18.6 mt -115.43 139.4 50.06 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 717' ' ' ILE . . . . . 0.402 ' N ' HD13 ' A' ' 717' ' ' ILE . 4.6 mp -120.35 149.04 23.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.16 179.833 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 718' ' ' GLY . . . . . . . . . . . . . . . -78.8 139.64 22.37 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.439 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 719' ' ' THR . . . . . . . . . . . . . 50.9 p -87.49 -53.46 4.8 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.891 0.377 . . . . 0.0 111.141 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 720' ' ' LYS . . . . . . . . . . . . . 9.1 mmpt? -64.13 -41.62 97.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 721' ' ' GLY . . . . . . . . . . . . . . . -109.84 -149.7 12.8 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.479 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 722' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -134.76 64.8 1.58 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.828 0.346 . . . . 0.0 110.888 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 723' ' ' ILE . . . . . . . . . . . . . 54.7 mt -106.72 106.36 57.67 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.611 0.72 . . . . 0.0 111.157 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 724' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -51.15 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.701 2.267 . . . . 0.0 112.355 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 725' ' ' ASN . . . . . . . . . . . . . 41.5 m-20 -88.79 43.18 1.12 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 726' ' ' PHE . . . . . 0.497 ' CE2' HG23 ' A' ' 620' ' ' VAL . 16.1 t80 -56.36 -35.89 68.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 727' ' ' GLY . . . . . . . . . . . . . . . 165.76 162.5 17.2 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.496 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 728' ' ' THR . . . . . . . . . . . . . 4.4 m -111.57 152.57 27.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.845 0.355 . . . . 0.0 111.11 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 729' ' ' VAL . . . . . . . . . . . . . 14.0 p -116.76 127.69 74.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.073 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -100.77 122.47 43.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.927 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 731' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -162.01 176.07 11.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 -179.869 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 732' ' ' TRP . . . . . 0.42 ' HE1' ' CD2' ' A' ' 610' ' ' HIS . 64.6 p-90 -156.03 144.4 20.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.96 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 733' ' ' PHE . . . . . 0.8 ' CE1' ' CD1' ' A' ' 700' ' ' PHE . 13.3 p90 -114.03 172.68 6.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.905 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 734' ' ' ARG . . . . . . . . . . . . . 33.4 ttm-85 -164.09 120.61 1.64 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.845 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 735' ' ' LEU . . . . . 0.456 ' HB2' ' CD2' ' A' ' 607' ' ' PHE . 19.3 tp -131.47 104.77 7.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 736' ' ' ARG . . . . . . . . . . . . . 4.7 mmt85 -152.57 165.31 35.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 737' ' ' VAL . . . . . . . . . . . . . 9.5 p -67.29 128.74 31.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.145 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 738' ' ' SER . . . . . . . . . . . . . 18.7 t . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 -179.881 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 604' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.867 0.365 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 605' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -124.95 156.82 37.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.873 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 606' ' ' LEU . . . . . . . . . . . . . 14.6 tp -142.77 111.69 6.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.891 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 607' ' ' PHE . . . . . 0.454 ' CD2' ' CZ ' ' A' ' 637' ' ' PHE . 9.2 t80 -104.87 115.76 30.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.936 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 608' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -124.9 138.32 54.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 609' ' ' ILE . . . . . . . . . . . . . 35.6 mt -123.14 128.59 75.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.104 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 610' ' ' HIS . . . . . 0.508 ' CD2' ' C ' ' A' ' 610' ' ' HIS . 0.9 OUTLIER -122.57 133.37 54.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.823 179.904 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 25.8 mm -102.16 122.44 54.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.089 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 612' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -69.4 -67.82 0.45 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 613' ' ' LYS . . . . . . . . . . . . . 36.5 pttt -170.3 178.89 3.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 614' ' ' VAL . . . . . . . . . . . . . 92.1 t -129.97 115.5 33.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.13 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 615' ' ' THR . . . . . . . . . . . . . 62.5 m -87.34 154.41 20.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.095 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 616' ' ' PHE . . . . . 0.557 ' CD1' HG12 ' A' ' 620' ' ' VAL . 18.9 m-85 -125.71 146.21 49.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.884 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 1.1 t -106.51 163.58 12.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 618' ' ' SER . . . . . . . . . . . . . 31.5 m -42.9 -51.39 5.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.853 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 619' ' ' GLU . . . . . . . . . . . . . 10.5 mp0 -50.7 -35.06 29.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 620' ' ' VAL . . . . . 0.557 HG12 ' CD1' ' A' ' 616' ' ' PHE . 5.4 t -78.73 -41.96 24.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.14 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 621' ' ' LEU . . . . . . . . . . . . . 68.1 mt -59.1 -39.66 82.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.923 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 622' ' ' GLN . . . . . . . . . . . . . 29.7 mm-40 -53.29 -33.79 54.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.921 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -57.11 -19.48 19.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.131 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 1.3 t -134.82 -164.63 1.55 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.84 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 625' ' ' GLY . . . . . . . . . . . . . . . -139.8 -116.4 1.34 Allowed Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.469 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 626' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -90.06 29.52 1.21 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.861 0.362 . . . . 0.0 110.862 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 9.7 ptmm? -131.75 106.34 8.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 628' ' ' GLU . . . . . 0.402 ' HB2' ' N ' ' A' ' 650' ' ' GLY . 0.8 OUTLIER -54.37 126.58 55.06 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.652 0.739 . . . . 0.0 110.913 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 629' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 120.38 7.18 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.663 2.242 . . . . 0.0 112.355 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 630' ' ' VAL . . . . . . . . . . . . . 5.6 t -92.38 108.86 20.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.142 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 631' ' ' THR . . . . . 0.439 ' CG2' ' HA ' ' A' ' 684' ' ' GLN . 2.3 p -129.46 179.59 5.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.118 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 632' ' ' PHE . . . . . . . . . . . . . 27.2 p90 -158.58 145.82 17.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 633' ' ' CYS . . . . . . . . . . . . . 82.2 m -89.35 127.31 35.79 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 634' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -130.07 123.1 29.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.186 -179.857 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 635' ' ' TYR . . . . . . . . . . . . . 20.4 p90 -163.89 177.02 8.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.907 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 636' ' ' ALA . . . . . . . . . . . . . . . -132.16 157.44 44.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.103 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 637' ' ' PHE . . . . . 0.454 ' CZ ' ' CD2' ' A' ' 607' ' ' PHE . 46.0 t80 -122.96 142.42 50.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.867 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 638' ' ' TYR . . . . . . . . . . . . . 2.8 t80 47.48 27.24 0.92 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.939 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 639' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 64.06 40.33 7.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.85 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 640' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -106.21 176.88 5.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.852 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -46.33 132.04 10.35 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.915 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 642' ' ' LEU . . . . . . . . . . . . . 2.8 tp -61.05 139.57 58.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 643' ' ' GLN . . . . . 0.454 ' HA ' ' NE2' ' A' ' 643' ' ' GLN . 7.2 mm-40 -103.67 120.75 41.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.932 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 644' ' ' THR . . . . . . . . . . . . . 23.9 m -96.54 115.99 28.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.145 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 645' ' ' THR . . . . . . . . . . . . . 1.3 p -76.66 158.07 81.35 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.58 0.705 . . . . 0.0 111.15 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 646' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 130.65 19.72 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.707 2.272 . . . . 0.0 112.323 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 647' ' ' VAL . . . . . . . . . . . . . 59.0 t -68.69 124.78 25.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.14 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 28.5 t -135.19 127.22 47.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.131 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 649' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -88.08 145.16 26.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.912 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 650' ' ' GLY . . . . . 0.402 ' N ' ' HB2' ' A' ' 628' ' ' GLU . . . 146.14 -175.03 25.84 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.507 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 651' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -113.91 -37.24 4.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.827 0.346 . . . . 0.0 110.906 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 652' ' ' HIS . . . . . 0.481 ' N ' ' CD ' ' A' ' 653' ' ' PRO . 4.7 m-70 -134.06 51.38 6.36 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.563 0.697 . . . . 0.0 110.857 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 653' ' ' PRO . . . . . 0.481 ' CD ' ' N ' ' A' ' 652' ' ' HIS . 54.2 Cg_endo -69.74 -178.57 2.4 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.692 2.261 . . . . 0.0 112.35 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -133.79 91.07 2.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 655' ' ' TYR . . . . . . . . . . . . . 62.6 m-85 -45.2 -62.39 1.27 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.92 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 2.9 m120 61.61 30.15 18.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.877 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 657' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -93.49 126.54 38.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 18.6 m -121.5 144.29 48.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.101 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 83.0 p -149.23 137.49 20.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 660' ' ' GLN . . . . . 0.496 ' O ' ' CD1' ' A' ' 661' ' ' TYR . 0.0 OUTLIER -131.95 156.03 46.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.899 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 661' ' ' TYR . . . . . 0.496 ' CD1' ' O ' ' A' ' 660' ' ' GLN . 68.8 m-85 -155.18 134.78 12.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.968 -179.861 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 662' ' ' LEU . . . . . 0.531 ' CD1' ' C ' ' A' ' 662' ' ' LEU . 0.3 OUTLIER -73.96 106.79 5.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 663' ' ' VAL . . . . . . . . . . . . . 29.8 m -123.41 121.69 63.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.116 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 664' ' ' HIS . . . . . . . . . . . . . 8.2 p80 -91.12 98.77 11.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.861 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 665' ' ' VAL . . . . . . . . . . . . . 2.7 p -173.57 123.63 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.103 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 666' ' ' ASN . . . . . . . . . . . . . 33.0 m-80 -116.67 -59.77 1.93 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.895 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 667' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -68.25 -60.6 2.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.88 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -54.57 -18.42 4.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.9 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 669' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -71.98 -62.93 1.25 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.942 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 670' ' ' LEU . . . . . . . . . . . . . 18.8 mt -57.71 -41.96 82.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.922 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 671' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -52.5 -40.45 62.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 672' ' ' TYR . . . . . 0.565 ' CD1' ' C ' ' A' ' 672' ' ' TYR . 0.3 OUTLIER -71.58 -29.53 64.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.922 -179.886 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 673' ' ' ILE . . . . . 0.472 HG21 ' CG2' ' A' ' 703' ' ' ILE . 20.1 mm -66.1 -20.95 28.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.158 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 674' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -106.82 -35.11 7.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 675' ' ' LYS . . . . . . . . . . . . . 19.0 mtpp -66.19 -48.19 71.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.924 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 676' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -143.82 136.95 27.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.93 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 68.7 p -91.42 169.69 10.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.183 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 678' ' ' ILE . . . . . . . . . . . . . 17.5 mt -89.76 157.1 3.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.128 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 71.9 m -131.29 116.69 17.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.158 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 680' ' ' LEU . . . . . . . . . . . . . 7.1 tt -125.74 106.5 9.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.907 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 681' ' ' GLU . . . . . 0.46 ' HG2' ' CB ' ' A' ' 695' ' ' ALA . 13.0 mt-10 -105.71 138.79 41.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.863 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 682' ' ' VAL . . . . . . . . . . . . . 58.2 t -93.3 105.56 16.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.154 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 683' ' ' HIS . . . . . 0.478 ' N ' ' CD2' ' A' ' 683' ' ' HIS . 2.6 m170 -85.71 121.47 28.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.83 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 684' ' ' GLN . . . . . 0.439 ' HA ' ' CG2' ' A' ' 631' ' ' THR . 17.8 tt0 -88.01 115.1 25.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.865 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -88.7 103.1 15.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.099 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 686' ' ' TYR . . . . . 0.593 ' CD2' ' O ' ' A' ' 689' ' ' GLU . 3.0 m-85 -70.24 168.88 14.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.917 -179.884 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 687' ' ' SER . . . . . . . . . . . . . 28.6 t -66.36 -4.01 7.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.865 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 688' ' ' THR . . . . . . . . . . . . . 11.6 p -129.52 -56.19 1.15 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.171 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 689' ' ' GLU . . . . . 0.593 ' O ' ' CD2' ' A' ' 686' ' ' TYR . 2.5 tp10 -127.89 158.72 37.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.831 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 690' ' ' TYR . . . . . 0.438 ' CD1' ' N ' ' A' ' 690' ' ' TYR . 0.6 OUTLIER -118.15 117.01 27.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.925 -179.866 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 691' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -132.9 155.38 49.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 692' ' ' THR . . . . . . . . . . . . . 4.5 m -72.65 141.01 48.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.129 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 693' ' ' ILE . . . . . . . . . . . . . 32.3 pt -123.81 -30.62 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.105 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -131.44 162.96 28.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.096 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 695' ' ' ALA . . . . . 0.46 ' CB ' ' HG2' ' A' ' 681' ' ' GLU . . . -161.48 123.54 2.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.083 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 696' ' ' CYS . . . . . . . . . . . . . 24.5 p -130.48 171.12 13.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.845 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 697' ' ' GLN . . . . . . . . . . . . . 29.2 mm-40 -125.06 120.28 31.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.922 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 698' ' ' LEU . . . . . . . . . . . . . 4.5 mt -91.74 130.01 37.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.944 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 699' ' ' LYS . . . . . . . . . . . . . 12.5 pttt -155.48 123.45 5.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.925 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 700' ' ' PHE . . . . . 0.771 ' CD2' ' CD1' ' A' ' 733' ' ' PHE . 0.3 OUTLIER -104.29 125.47 50.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.859 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 701' ' ' HIS . . . . . . . . . . . . . 54.0 m80 -90.26 -44.72 9.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.835 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 702' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -49.39 -43.92 44.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.862 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 703' ' ' ILE . . . . . 0.472 ' CG2' HG21 ' A' ' 673' ' ' ILE . 8.1 tt -47.42 -22.21 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.122 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 704' ' ' LEU . . . . . . . . . . . . . 32.0 mt -70.6 -37.09 73.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.895 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 705' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -107.61 -52.7 2.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.843 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 706' ' ' LYS . . . . . . . . . . . . . 34.0 mttt -88.49 178.04 6.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.881 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 707' ' ' SER . . . . . . . . . . . . . 58.4 m -156.87 116.85 3.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 708' ' ' GLY . . . . . . . . . . . . . . . 138.12 -161.59 25.58 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.529 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 709' ' ' ARG . . . . . . . . . . . . . 10.1 ptt180 -62.07 84.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.807 0.336 . . . . 0.0 110.842 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 710' ' ' ILE . . . . . 0.556 HD11 ' CE2' ' A' ' 733' ' ' PHE . 13.4 mt -103.54 90.41 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.129 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 711' ' ' PHE . . . . . 0.431 ' C ' ' O ' ' A' ' 710' ' ' ILE . 97.1 m-85 -35.7 138.9 0.15 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 712' ' ' CYS . . . . . . . . . . . . . 3.1 t -164.14 157.56 18.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.897 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 713' ' ' THR . . . . . . . . . . . . . 6.8 p -145.63 170.02 17.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.151 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 714' ' ' ALA . . . . . . . . . . . . . . . -146.19 147.38 31.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.073 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 715' ' ' SER . . . . . . . . . . . . . 51.1 m -85.55 158.1 20.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.845 -179.764 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 716' ' ' LEU . . . . . . . . . . . . . 13.8 mt -119.8 134.91 55.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.936 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 717' ' ' ILE . . . . . 0.455 HD11 ' N ' ' A' ' 717' ' ' ILE . 4.7 mp -126.69 137.63 57.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.11 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 718' ' ' GLY . . . . . . . . . . . . . . . -66.6 156.17 51.29 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.452 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 719' ' ' THR . . . . . . . . . . . . . 18.3 p -89.53 -54.16 4.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.86 0.362 . . . . 0.0 111.152 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 720' ' ' LYS . . . . . . . . . . . . . 4.7 mtmp? -83.74 -70.08 0.59 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.866 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 721' ' ' GLY . . . . . . . . . . . . . . . -51.32 -25.45 12.14 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.54 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 722' ' ' ASP . . . . . . . . . . . . . 7.9 t0 64.67 38.98 6.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.828 0.347 . . . . 0.0 110.884 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 723' ' ' ILE . . . . . . . . . . . . . 15.9 mt -80.87 117.85 69.81 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.612 0.72 . . . . 0.0 111.154 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 724' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -41.79 3.96 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.691 2.261 . . . . 0.0 112.3 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 725' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -85.98 37.88 0.73 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.876 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 726' ' ' PHE . . . . . 0.411 ' CE1' HG23 ' A' ' 620' ' ' VAL . 4.6 t80 -55.56 -35.65 65.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.888 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 727' ' ' GLY . . . . . . . . . . . . . . . 148.5 -175.14 27.92 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.487 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 728' ' ' THR . . . . . . . . . . . . . 5.8 m -132.04 149.45 52.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.773 0.321 . . . . 0.0 111.158 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 729' ' ' VAL . . . . . . . . . . . . . 10.4 p -105.23 156.2 6.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.107 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 11.9 mp0 -127.08 114.66 18.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.865 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 731' ' ' TYR . . . . . . . . . . . . . 20.5 p90 -145.52 170.41 16.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.911 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 732' ' ' TRP . . . . . . . . . . . . . 32.3 p-90 -149.6 127.22 11.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.935 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 733' ' ' PHE . . . . . 0.771 ' CD1' ' CD2' ' A' ' 700' ' ' PHE . 36.2 p90 -112.09 146.03 38.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.866 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 734' ' ' ARG . . . . . 0.424 ' HD2' ' C ' ' A' ' 734' ' ' ARG . 0.4 OUTLIER -147.05 123.52 11.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.869 -179.908 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 735' ' ' LEU . . . . . . . . . . . . . 24.8 tp -120.15 105.93 11.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 736' ' ' ARG . . . . . 0.43 ' O ' ' C ' ' A' ' 737' ' ' VAL . 34.1 ttm180 -144.15 138.53 28.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.91 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 737' ' ' VAL . . . . . 0.43 ' C ' ' O ' ' A' ' 736' ' ' ARG . 1.9 p -35.55 149.24 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.106 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 738' ' ' SER . . . . . . . . . . . . . 28.3 t . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.888 -179.855 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 604' ' ' GLU . . . . . . . . . . . . . 4.3 pm0 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.86 0.362 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 605' ' ' ASN . . . . . . . . . . . . . 9.6 m-20 -117.17 171.49 7.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.9 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 606' ' ' LEU . . . . . . . . . . . . . 12.9 tp -141.2 108.43 5.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.94 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 607' ' ' PHE . . . . . 0.744 ' CD2' ' CE1' ' A' ' 637' ' ' PHE . 13.2 t80 -90.94 104.16 16.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.934 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 608' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -112.75 135.18 53.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.837 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 609' ' ' ILE . . . . . . . . . . . . . 68.2 mt -123.3 137.39 56.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.127 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 610' ' ' HIS . . . . . . . . . . . . . 19.3 t60 -128.15 131.36 48.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.909 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 23.4 mm -99.73 137.19 27.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.175 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 612' ' ' ASN . . . . . . . . . . . . . 10.6 m120 -93.5 -64.09 1.13 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 613' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.71 179.19 5.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 614' ' ' VAL . . . . . . . . . . . . . 95.1 t -130.49 113.67 26.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.15 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 615' ' ' THR . . . . . . . . . . . . . 39.3 m -87.18 127.11 35.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.172 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 616' ' ' PHE . . . . . 0.569 ' CD1' HG13 ' A' ' 620' ' ' VAL . 9.0 m-85 -105.33 158.72 16.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.845 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 6.3 p -96.35 164.67 12.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.863 -179.787 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 618' ' ' SER . . . . . . . . . . . . . 9.5 t -49.96 -62.36 1.61 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.865 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 619' ' ' GLU . . . . . 0.482 ' HG2' ' N ' ' A' ' 620' ' ' VAL . 24.3 pm0 -47.87 -31.26 4.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.92 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 620' ' ' VAL . . . . . 0.569 HG13 ' CD1' ' A' ' 616' ' ' PHE . 8.5 t -78.69 -31.39 15.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.157 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 621' ' ' LEU . . . . . . . . . . . . . 83.8 mt -70.79 -59.26 2.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.923 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 622' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -55.61 -40.45 72.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.88 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -44.75 -37.68 3.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.112 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 624' ' ' SER . . . . . 0.44 ' CB ' ' HG3' ' A' ' 629' ' ' PRO . 27.9 p -67.64 -56.22 10.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.927 -179.799 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 625' ' ' GLY . . . . . . . . . . . . . . . 116.04 -153.99 17.15 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.453 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 626' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -86.41 43.55 1.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.907 0.384 . . . . 0.0 110.881 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 10.6 ptpp? -144.49 177.31 8.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.917 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -106.4 99.45 24.32 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.603 0.716 . . . . 0.0 110.878 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 629' ' ' PRO . . . . . 0.44 ' HG3' ' CB ' ' A' ' 624' ' ' SER . 53.8 Cg_endo -69.75 111.25 2.76 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.731 2.288 . . . . 0.0 112.321 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 630' ' ' VAL . . . . . 0.464 HG12 ' CG1' ' A' ' 647' ' ' VAL . 9.0 t -91.4 145.6 7.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.157 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 631' ' ' THR . . . . . 0.405 HG21 ' CB ' ' A' ' 684' ' ' GLN . 1.1 p -150.24 163.38 38.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.183 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 632' ' ' PHE . . . . . 0.427 ' CD1' ' O ' ' A' ' 632' ' ' PHE . 21.5 p90 -142.67 136.54 29.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 633' ' ' CYS . . . . . . . . . . . . . 84.5 m -89.41 137.31 32.43 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 634' ' ' THR . . . . . . . . . . . . . 29.8 p -134.4 123.83 24.7 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.149 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 635' ' ' TYR . . . . . . . . . . . . . 3.8 p90 -164.05 -179.68 6.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.929 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 636' ' ' ALA . . . . . . . . . . . . . . . -147.13 155.7 42.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.074 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 637' ' ' PHE . . . . . 0.744 ' CE1' ' CD2' ' A' ' 607' ' ' PHE . 9.4 t80 -122.35 132.16 54.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.897 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 638' ' ' TYR . . . . . . . . . . . . . 5.0 t80 70.75 29.1 3.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.911 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 639' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 58.87 35.6 24.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.829 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 640' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -93.4 -179.28 5.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -55.52 140.27 41.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 642' ' ' LEU . . . . . 0.465 HD11 ' N ' ' A' ' 643' ' ' GLN . 0.3 OUTLIER -67.7 117.07 9.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.933 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 643' ' ' GLN . . . . . 0.465 ' N ' HD11 ' A' ' 642' ' ' LEU . 6.8 tp-100 -92.77 124.49 36.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.902 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 644' ' ' THR . . . . . . . . . . . . . 50.2 m -91.81 134.31 34.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.159 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 645' ' ' THR . . . . . . . . . . . . . 9.8 p -85.41 155.77 59.67 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.576 0.703 . . . . 0.0 111.165 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 646' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 133.32 25.42 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.701 2.267 . . . . 0.0 112.368 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 647' ' ' VAL . . . . . 0.464 ' CG1' HG12 ' A' ' 630' ' ' VAL . 39.7 t -69.37 129.76 33.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.113 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 84.8 t -134.14 133.16 55.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.175 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 649' ' ' ARG . . . . . 0.416 ' HD3' ' N ' ' A' ' 649' ' ' ARG . 2.0 mpp_? -86.34 136.31 33.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 650' ' ' GLY . . . . . . . . . . . . . . . 129.62 162.38 10.83 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.521 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 651' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -70.78 -56.74 5.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.858 0.361 . . . . 0.0 110.932 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 652' ' ' HIS . . . . . 0.413 ' CD2' ' N ' ' A' ' 652' ' ' HIS . 2.0 m-70 -107.44 73.47 0.38 Allowed Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.585 0.707 . . . . 0.0 110.821 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 653' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 149.2 66.26 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.691 2.261 . . . . 0.0 112.319 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -113.12 71.47 0.74 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 655' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -42.65 -52.92 4.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 2.9 m120 57.21 39.97 28.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.85 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 657' ' ' PHE . . . . . . . . . . . . . 28.7 t80 -102.24 140.77 36.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.86 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 6.8 m -132.97 137.68 46.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.176 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 54.3 p -132.34 141.1 48.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.798 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 53.2 mt-30 -105.5 152.06 23.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.923 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 661' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -141.52 111.21 6.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 662' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -73.34 101.59 3.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.918 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 663' ' ' VAL . . . . . . . . . . . . . 18.6 m -131.28 115.67 30.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.154 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 664' ' ' HIS . . . . . 0.417 ' O ' ' CG1' ' A' ' 665' ' ' VAL . 4.1 t-80 -93.95 112.15 23.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.822 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 665' ' ' VAL . . . . . 0.417 ' CG1' ' O ' ' A' ' 664' ' ' HIS . 0.6 OUTLIER -167.31 169.56 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.132 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 666' ' ' ASN . . . . . . . . . . . . . 7.2 m-80 -127.28 -67.87 0.82 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 667' ' ' ASP . . . . . . . . . . . . . 50.4 m-20 -81.8 -60.23 2.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.812 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 10.8 mp -41.21 -28.83 0.11 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 669' ' ' PHE . . . . . 0.516 ' CE2' HD13 ' A' ' 735' ' ' LEU . 1.0 OUTLIER -61.11 -69.98 0.21 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.95 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 670' ' ' LEU . . . . . . . . . . . . . 43.8 mt -61.17 -42.91 99.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.924 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 671' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -54.88 -39.15 68.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.836 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 672' ' ' TYR . . . . . 0.642 ' CD1' ' C ' ' A' ' 672' ' ' TYR . 0.0 OUTLIER -71.89 -17.2 62.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.886 -179.857 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 673' ' ' ILE . . . . . 0.482 ' CG2' HG23 ' A' ' 703' ' ' ILE . 67.9 mt -89.2 -33.56 6.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.159 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 674' ' ' GLN . . . . . . . . . . . . . 17.2 pt20 -88.75 -36.22 16.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 675' ' ' LYS . . . . . . . . . . . . . 14.0 mmmt -75.09 -72.61 0.29 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 676' ' ' ASN . . . . . 0.475 ' OD1' ' CD2' ' A' ' 672' ' ' TYR . 3.8 p30 -94.59 153.28 17.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 82.4 p -117.77 163.55 16.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.167 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 678' ' ' ILE . . . . . . . . . . . . . 4.6 mp -89.8 139.92 16.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.173 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 2.8 m -102.13 106.63 17.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.172 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 680' ' ' LEU . . . . . 0.449 ' CD2' ' O ' ' A' ' 680' ' ' LEU . 5.8 tt -120.84 100.62 7.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.943 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 681' ' ' GLU . . . . . 0.47 ' HG2' ' CB ' ' A' ' 695' ' ' ALA . 59.6 mt-10 -98.34 130.39 45.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 682' ' ' VAL . . . . . . . . . . . . . 68.7 t -95.31 102.02 13.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.121 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 683' ' ' HIS . . . . . 0.483 ' N ' ' CD2' ' A' ' 683' ' ' HIS . 0.7 OUTLIER -93.69 132.65 37.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.846 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 684' ' ' GLN . . . . . 0.405 ' CB ' HG21 ' A' ' 631' ' ' THR . 26.9 tt0 -92.34 119.97 32.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -87.23 131.81 34.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.143 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 686' ' ' TYR . . . . . 0.46 ' CD2' ' O ' ' A' ' 689' ' ' GLU . 0.6 OUTLIER -99.59 168.56 9.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.95 -179.813 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 687' ' ' SER . . . . . . . . . . . . . 17.2 m -60.95 -9.29 4.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 688' ' ' THR . . . . . . . . . . . . . 20.3 p -113.64 -72.88 0.68 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.212 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 689' ' ' GLU . . . . . 0.46 ' O ' ' CD2' ' A' ' 686' ' ' TYR . 4.2 pt-20 -123.07 -175.12 3.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 690' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -141.33 133.82 28.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.864 -179.826 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 691' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -145.13 155.5 43.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.877 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 692' ' ' THR . . . . . . . . . . . . . 62.4 m -68.89 130.89 44.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.166 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 693' ' ' ILE . . . . . . . . . . . . . 7.4 pt -122.55 -22.04 3.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.139 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -132.28 152.45 51.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.114 179.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 695' ' ' ALA . . . . . 0.47 ' CB ' ' HG2' ' A' ' 681' ' ' GLU . . . -150.99 127.74 10.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.127 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 696' ' ' CYS . . . . . . . . . . . . . 31.3 p -146.57 161.35 40.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 697' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -111.25 117.74 34.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.939 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 698' ' ' LEU . . . . . 0.441 HD11 ' CD1' ' A' ' 680' ' ' LEU . 99.0 mt -83.12 122.2 28.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.939 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 699' ' ' LYS . . . . . . . . . . . . . 6.2 pttt -147.08 124.23 11.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 700' ' ' PHE . . . . . 0.577 ' HB3' ' CZ ' ' A' ' 733' ' ' PHE . 0.5 OUTLIER -100.5 123.88 45.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.887 179.956 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 701' ' ' HIS . . . . . . . . . . . . . 42.2 m80 -90.49 -42.47 10.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.863 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 702' ' ' GLU . . . . . . . . . . . . . 7.4 mp0 -47.87 -36.68 12.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.896 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 703' ' ' ILE . . . . . 0.482 HG23 ' CG2' ' A' ' 673' ' ' ILE . 1.0 OUTLIER -47.51 -30.32 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.09 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 704' ' ' LEU . . . . . . . . . . . . . 9.9 mt -74.31 -39.48 62.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.947 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 705' ' ' GLU . . . . . . . . . . . . . 73.2 mm-40 -76.37 -70.73 0.43 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.856 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 706' ' ' LYS . . . . . . . . . . . . . 11.8 mtmt -96.24 178.12 5.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.903 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 707' ' ' SER . . . . . . . . . . . . . 25.2 p -148.16 106.61 3.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.851 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 708' ' ' GLY . . . . . . . . . . . . . . . 144.62 -138.98 8.19 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.496 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 709' ' ' ARG . . . . . . . . . . . . . 8.1 ttm180 -62.82 94.31 0.06 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.794 0.331 . . . . 0.0 110.846 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 710' ' ' ILE . . . . . . . . . . . . . 7.7 mt -135.81 126.72 43.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.127 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 711' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -112.67 154.02 26.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.878 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 712' ' ' CYS . . . . . . . . . . . . . 1.8 t -160.37 178.14 9.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.891 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 713' ' ' THR . . . . . 0.419 ' HB ' ' CG2' ' A' ' 728' ' ' THR . 28.7 p -135.55 155.63 50.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.112 -179.857 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 714' ' ' ALA . . . . . 0.419 ' HB1' ' CG1' ' A' ' 729' ' ' VAL . . . -122.16 168.82 11.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.097 179.846 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 715' ' ' SER . . . . . . . . . . . . . 41.0 t -104.76 133.02 50.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.852 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 716' ' ' LEU . . . . . . . . . . . . . 12.2 mt -103.74 150.54 23.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.932 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 717' ' ' ILE . . . . . . . . . . . . . 4.6 mp -137.2 144.76 31.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.138 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 718' ' ' GLY . . . . . . . . . . . . . . . -82.19 162.62 42.46 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.455 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 719' ' ' THR . . . . . . . . . . . . . 47.0 p -98.64 -57.23 2.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.895 0.379 . . . . 0.0 111.145 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 720' ' ' LYS . . . . . . . . . . . . . 7.5 mptt -81.16 -48.47 12.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.917 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 721' ' ' GLY . . . . . . . . . . . . . . . -74.62 -16.46 80.16 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.438 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 722' ' ' ASP . . . . . . . . . . . . . 38.1 m-20 54.58 39.08 30.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.792 0.329 . . . . 0.0 110.847 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 723' ' ' ILE . . . . . . . . . . . . . 75.3 mt -84.25 110.47 26.66 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.599 0.714 . . . . 0.0 111.099 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 724' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -27.28 26.49 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.709 2.272 . . . . 0.0 112.341 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 725' ' ' ASN . . . . . . . . . . . . . 47.6 t-20 -106.49 43.56 1.14 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.912 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 726' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -56.08 -36.58 68.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 727' ' ' GLY . . . . . . . . . . . . . . . 157.17 170.11 21.73 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.493 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 728' ' ' THR . . . . . 0.419 ' CG2' ' HB ' ' A' ' 713' ' ' THR . 7.5 m -110.97 147.1 35.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.843 0.354 . . . . 0.0 111.145 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 729' ' ' VAL . . . . . 0.419 ' CG1' ' HB1' ' A' ' 714' ' ' ALA . 11.0 p -112.22 135.8 50.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.161 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -110.08 125.39 52.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 731' ' ' TYR . . . . . 0.4 ' CD1' ' HE2' ' A' ' 700' ' ' PHE . 3.5 p90 -143.98 177.83 8.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.969 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 732' ' ' TRP . . . . . 0.565 ' CZ2' ' HB2' ' A' ' 734' ' ' ARG . 7.6 t90 -149.8 134.88 17.99 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.953 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 733' ' ' PHE . . . . . 0.577 ' CZ ' ' HB3' ' A' ' 700' ' ' PHE . 12.8 p90 -129.36 149.54 51.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.926 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 734' ' ' ARG . . . . . 0.565 ' HB2' ' CZ2' ' A' ' 732' ' ' TRP . 34.6 ttt180 -141.1 158.44 43.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.865 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 735' ' ' LEU . . . . . 0.516 HD13 ' CE2' ' A' ' 669' ' ' PHE . 23.5 tp -141.04 105.02 4.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.919 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 736' ' ' ARG . . . . . . . . . . . . . 5.4 tpm_? -152.31 136.85 16.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.863 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 737' ' ' VAL . . . . . . . . . . . . . 9.0 p -38.49 153.68 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.123 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 738' ' ' SER . . . . . . . . . . . . . 22.2 t . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.827 -179.836 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 604' ' ' GLU . . . . . . . . . . . . . 2.6 pm0 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.797 0.332 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 605' ' ' ASN . . . . . . . . . . . . . 34.9 m120 -116.05 165.78 12.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.919 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 606' ' ' LEU . . . . . . . . . . . . . 9.3 tp -140.12 140.59 36.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.898 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 607' ' ' PHE . . . . . . . . . . . . . 31.9 t80 -139.4 124.72 19.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 608' ' ' GLU . . . . . . . . . . . . . 18.5 pt-20 -128.96 147.06 50.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.931 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 609' ' ' ILE . . . . . . . . . . . . . 39.4 mt -123.27 129.44 74.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.174 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 610' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -125.89 118.3 25.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.863 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 32.4 mm -86.56 121.94 38.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.124 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 612' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -72.68 -67.84 0.53 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.918 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 613' ' ' LYS . . . . . . . . . . . . . 2.4 ptpt -166.4 179.08 5.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.883 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 614' ' ' VAL . . . . . . . . . . . . . 70.7 t -127.16 110.85 23.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.101 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 615' ' ' THR . . . . . . . . . . . . . 89.7 m -87.36 145.06 26.48 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.137 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 616' ' ' PHE . . . . . 0.512 ' HB3' ' CG2' ' A' ' 620' ' ' VAL . 32.7 m-85 -127.67 167.78 15.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.899 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 617' ' ' SER . . . . . 0.472 ' O ' ' N ' ' A' ' 619' ' ' GLU . 27.1 t -109.01 146.57 33.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.846 -179.773 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 618' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 617' ' ' SER . 22.4 t -35.3 -32.98 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.841 -179.795 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 619' ' ' GLU . . . . . 0.472 ' N ' ' O ' ' A' ' 617' ' ' SER . 4.0 tp10 -46.72 -68.93 0.15 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.831 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 620' ' ' VAL . . . . . 0.512 ' CG2' ' HB3' ' A' ' 616' ' ' PHE . 34.0 m -65.81 -38.59 82.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.166 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 621' ' ' LEU . . . . . . . . . . . . . 29.3 mt -48.78 -50.27 34.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.921 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 622' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -76.37 -46.35 27.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -48.06 -43.1 30.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.088 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 73.9 m -63.8 -53.1 56.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 625' ' ' GLY . . . . . . . . . . . . . . . 105.47 -155.01 17.06 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.447 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 626' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -83.35 45.59 1.05 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.835 0.35 . . . . 0.0 110.876 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 10.0 ptmt -143.74 143.57 31.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -97.05 104.69 19.92 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-O 121.699 0.761 . . . . 0.0 110.881 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 629' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.8 116.72 4.69 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.66 2.24 . . . . 0.0 112.363 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 630' ' ' VAL . . . . . 0.465 HG11 ' CG1' ' A' ' 647' ' ' VAL . 4.7 t -80.36 123.56 37.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.164 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 631' ' ' THR . . . . . . . . . . . . . 38.9 p -133.49 165.43 24.89 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.119 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 632' ' ' PHE . . . . . 0.643 ' CE2' ' NE2' ' A' ' 683' ' ' HIS . 18.5 p90 -147.63 140.6 24.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.855 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 633' ' ' CYS . . . . . . . . . . . . . 73.3 m -93.14 129.51 39.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.852 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 634' ' ' THR . . . . . . . . . . . . . 10.9 p -135.66 122.19 20.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.133 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 635' ' ' TYR . . . . . . . . . . . . . 32.1 p90 -155.97 162.78 40.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 636' ' ' ALA . . . . . 0.44 ' CB ' HD22 ' A' ' 642' ' ' LEU . . . -114.46 128.54 56.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.127 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 637' ' ' PHE . . . . . 0.655 ' O ' ' CD1' ' A' ' 640' ' ' PHE . 54.5 t80 -105.44 158.9 16.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 638' ' ' TYR . . . . . 0.614 ' HB3' ' CD2' ' A' ' 640' ' ' PHE . 7.3 t80 45.39 25.02 0.19 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 -179.821 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 639' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 51.01 54.97 10.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.924 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 640' ' ' PHE . . . . . 0.655 ' CD1' ' O ' ' A' ' 637' ' ' PHE . 0.0 OUTLIER -137.75 -171.61 3.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.853 -179.835 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 641' ' ' GLU . . . . . 0.458 ' C ' ' O ' ' A' ' 640' ' ' PHE . 16.3 pt-20 -33.24 123.7 0.4 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.915 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 642' ' ' LEU . . . . . 0.552 ' CD1' ' C ' ' A' ' 642' ' ' LEU . 0.7 OUTLIER -62.45 117.31 5.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.885 -179.92 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 643' ' ' GLN . . . . . 0.473 ' N ' HD13 ' A' ' 642' ' ' LEU . 8.5 mm-40 -78.72 125.15 28.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.905 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 644' ' ' THR . . . . . . . . . . . . . 60.1 m -106.05 134.18 49.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.137 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 645' ' ' THR . . . . . . . . . . . . . 73.3 p -95.55 152.55 39.29 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.55 0.691 . . . . 0.0 111.119 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 646' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 144.26 53.65 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.652 2.234 . . . . 0.0 112.387 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 647' ' ' VAL . . . . . 0.465 ' CG1' HG11 ' A' ' 630' ' ' VAL . 58.3 t -68.34 126.18 27.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.126 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 92.6 t -136.21 111.92 11.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.15 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 649' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.95 146.4 27.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.848 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 650' ' ' GLY . . . . . . . . . . . . . . . 133.8 162.66 10.11 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.47 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 651' ' ' LEU . . . . . 0.471 ' N ' ' CD2' ' A' ' 651' ' ' LEU . 1.5 mm? -81.71 -52.2 7.4 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.868 0.366 . . . . 0.0 110.861 -179.857 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 652' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 -127.46 57.08 22.12 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.615 0.722 . . . . 0.0 110.895 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 653' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 -170.19 0.37 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.705 2.27 . . . . 0.0 112.361 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 81.5 mt-10 -132.78 77.26 1.73 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.908 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 655' ' ' TYR . . . . . . . . . . . . . 90.2 m-85 -38.85 -57.24 1.25 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.926 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 7.2 m-20 55.73 40.76 30.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.903 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 657' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -94.42 103.57 15.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 6.3 m -117.45 107.41 14.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.168 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 58.2 p -109.28 148.82 30.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.852 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -118.74 121.47 40.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.86 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 661' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -130.49 122.84 28.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.962 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 662' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -72.41 102.16 3.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.927 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 663' ' ' VAL . . . . . . . . . . . . . 35.0 m -115.23 115.58 49.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.12 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 664' ' ' HIS . . . . . 0.542 ' O ' ' CD2' ' A' ' 664' ' ' HIS . 50.1 p-80 -90.87 99.41 12.45 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 665' ' ' VAL . . . . . 0.506 HG13 ' CZ ' ' A' ' 638' ' ' TYR . 4.0 m -156.49 149.8 10.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.125 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 666' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -134.96 -62.97 0.71 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 667' ' ' ASP . . . . . . . . . . . . . 40.5 t0 -83.89 -60.09 2.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.862 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 16.6 mt -41.39 -41.88 2.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.932 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 669' ' ' PHE . . . . . 0.551 ' CE1' HD12 ' A' ' 703' ' ' ILE . 3.7 t80 -49.95 -70.72 0.08 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 670' ' ' LEU . . . . . . . . . . . . . 71.3 mt -49.64 -53.15 25.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.911 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 671' ' ' GLN . . . . . 0.421 ' O ' ' CG ' ' A' ' 675' ' ' LYS . 23.8 mt-30 -45.97 -38.22 7.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 672' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -73.64 -47.98 35.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.952 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 673' ' ' ILE . . . . . . . . . . . . . 29.5 mm -44.32 -45.96 2.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.142 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 674' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -83.81 -54.54 4.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.873 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 675' ' ' LYS . . . . . 0.421 ' CG ' ' O ' ' A' ' 671' ' ' GLN . 79.7 mttt -46.78 -58.83 3.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.897 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 676' ' ' ASN . . . . . . . . . . . . . 7.7 m-80 -119.7 159.07 25.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 11.6 p -119.69 165.8 14.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.142 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 678' ' ' ILE . . . . . . . . . . . . . 15.9 mt -90.02 147.35 5.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.119 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 51.5 m -121.04 101.42 7.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.112 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 680' ' ' LEU . . . . . 0.469 ' CB ' HD13 ' A' ' 698' ' ' LEU . 6.5 tt -109.7 101.21 10.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.923 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 681' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -96.69 132.45 42.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 682' ' ' VAL . . . . . . . . . . . . . 61.8 t -102.91 97.18 5.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.135 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 683' ' ' HIS . . . . . 0.643 ' NE2' ' CE2' ' A' ' 632' ' ' PHE . 5.4 p-80 -106.27 158.31 16.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.84 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 684' ' ' GLN . . . . . 0.526 ' HG3' ' CE1' ' A' ' 686' ' ' TYR . 13.6 pt20 -109.35 147.13 33.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -98.65 104.53 16.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.088 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 686' ' ' TYR . . . . . 0.526 ' CE1' ' HG3' ' A' ' 684' ' ' GLN . 21.1 m-85 -78.76 167.57 21.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.938 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 687' ' ' SER . . . . . . . . . . . . . 7.3 t -40.4 -61.76 0.86 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.821 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 688' ' ' THR . . . . . . . . . . . . . 8.8 t -134.81 33.6 3.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.159 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 689' ' ' GLU . . . . . 0.519 ' C ' ' CD1' ' A' ' 690' ' ' TYR . 5.7 mp0 -140.92 161.59 37.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.892 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 690' ' ' TYR . . . . . 0.519 ' CD1' ' C ' ' A' ' 689' ' ' GLU . 56.9 m-85 -154.23 118.68 4.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.93 -179.861 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 691' ' ' GLU . . . . . 0.47 ' HG3' ' N ' ' A' ' 692' ' ' THR . 33.3 tp10 -149.63 155.58 40.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.857 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 692' ' ' THR . . . . . 0.47 ' N ' ' HG3' ' A' ' 691' ' ' GLU . 25.8 m -85.8 119.77 26.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.128 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 693' ' ' ILE . . . . . . . . . . . . . 2.6 pp -108.14 -24.05 4.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.122 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -130.98 152.47 50.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.08 179.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 695' ' ' ALA . . . . . . . . . . . . . . . -164.43 133.63 3.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.12 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 696' ' ' CYS . . . . . . . . . . . . . 28.1 p -149.75 162.12 40.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.851 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 697' ' ' GLN . . . . . . . . . . . . . 7.0 mm-40 -112.84 111.43 22.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.921 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 698' ' ' LEU . . . . . 0.469 HD13 ' CB ' ' A' ' 680' ' ' LEU . 61.6 mt -82.71 135.08 35.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.874 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 699' ' ' LYS . . . . . . . . . . . . . 7.3 ptpt -154.73 128.83 8.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.945 179.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 700' ' ' PHE . . . . . 0.645 ' CD1' ' CE1' ' A' ' 733' ' ' PHE . 4.9 m-85 -100.78 124.91 47.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.899 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 701' ' ' HIS . . . . . . . . . . . . . 33.2 m-70 -91.17 -57.3 2.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.832 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 702' ' ' GLU . . . . . 0.474 ' O ' ' N ' ' A' ' 706' ' ' LYS . 50.2 mm-40 -43.33 -44.87 5.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 703' ' ' ILE . . . . . 0.551 HD12 ' CE1' ' A' ' 669' ' ' PHE . 18.2 tt -47.27 -38.03 4.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.114 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 704' ' ' LEU . . . . . . . . . . . . . 17.2 mt -64.81 -36.89 85.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.886 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 705' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -95.47 -64.93 1.01 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.924 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 706' ' ' LYS . . . . . 0.474 ' N ' ' O ' ' A' ' 702' ' ' GLU . 15.6 mttm -82.55 179.64 7.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 707' ' ' SER . . . . . . . . . . . . . 1.1 t -147.95 130.1 15.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.856 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 708' ' ' GLY . . . . . . . . . . . . . . . 117.67 -154.53 16.61 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.494 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 709' ' ' ARG . . . . . 0.418 ' C ' HG13 ' A' ' 710' ' ' ILE . 5.7 ptp180 -61.15 122.08 14.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.796 0.331 . . . . 0.0 110.88 -179.87 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 710' ' ' ILE . . . . . 0.418 HG13 ' C ' ' A' ' 709' ' ' ARG . 15.6 mt -141.25 116.49 6.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.155 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 711' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 -77.06 125.18 28.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 712' ' ' CYS . . . . . . . . . . . . . 1.7 m -150.76 160.34 43.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.891 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 713' ' ' THR . . . . . . . . . . . . . 32.1 p -142.2 164.53 29.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.152 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 714' ' ' ALA . . . . . . . . . . . . . . . -136.8 151.97 49.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.101 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 715' ' ' SER . . . . . . . . . . . . . 4.9 t -89.86 152.64 21.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.851 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 716' ' ' LEU . . . . . . . . . . . . . 11.1 mt -118.46 144.49 45.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.877 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 717' ' ' ILE . . . . . . . . . . . . . 5.2 mp -132.72 139.04 50.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.108 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 718' ' ' GLY . . . . . . . . . . . . . . . -83.39 132.13 10.87 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.501 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 719' ' ' THR . . . . . . . . . . . . . 55.9 p -79.28 -49.01 13.13 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.849 0.357 . . . . 0.0 111.15 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 720' ' ' LYS . . . . . . . . . . . . . 25.6 mmtt -77.42 -43.82 31.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.901 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 721' ' ' GLY . . . . . . . . . . . . . . . -78.63 -20.3 71.64 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.451 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 722' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 56.94 42.55 26.1 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.804 0.335 . . . . 0.0 110.847 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 723' ' ' ILE . . . . . . . . . . . . . 31.3 mt -106.59 116.3 59.22 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.58 0.705 . . . . 0.0 111.128 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 724' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.76 -38.08 8.28 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.671 2.247 . . . . 0.0 112.331 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 725' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -85.14 39.42 0.77 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.858 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 726' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -57.4 -48.78 78.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.883 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 727' ' ' GLY . . . . . . . . . . . . . . . 155.88 173.4 24.45 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.486 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 728' ' ' THR . . . . . . . . . . . . . 7.5 m -114.82 152.85 31.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.803 0.335 . . . . 0.0 111.154 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 729' ' ' VAL . . . . . 0.417 HG22 ' N ' ' A' ' 730' ' ' GLU . 7.6 p -108.83 141.39 24.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.114 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 730' ' ' GLU . . . . . 0.417 ' N ' HG22 ' A' ' 729' ' ' VAL . 15.5 mt-10 -112.09 107.24 16.1 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 731' ' ' TYR . . . . . . . . . . . . . 5.3 p90 -125.08 177.41 6.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.954 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 732' ' ' TRP . . . . . 0.575 ' CZ2' ' HB2' ' A' ' 734' ' ' ARG . 24.6 t90 -156.39 128.78 7.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.937 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 733' ' ' PHE . . . . . 0.645 ' CE1' ' CD1' ' A' ' 700' ' ' PHE . 30.3 p90 -128.67 153.28 47.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.869 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 734' ' ' ARG . . . . . 0.575 ' HB2' ' CZ2' ' A' ' 732' ' ' TRP . 0.0 OUTLIER -145.52 121.19 10.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.855 -179.874 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 735' ' ' LEU . . . . . . . . . . . . . 41.8 tp -118.7 112.64 20.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.907 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 736' ' ' ARG . . . . . . . . . . . . . 39.1 mtp180 -154.97 152.13 29.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 737' ' ' VAL . . . . . . . . . . . . . 9.0 p -49.15 137.7 4.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.139 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 738' ' ' SER . . . . . . . . . . . . . 14.4 t . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.857 -179.833 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 604' ' ' GLU . . . . . . . . . . . . . 24.0 pm0 . . . . . 0 N--CA 1.457 -0.075 0 CA-C-O 120.867 0.365 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 605' ' ' ASN . . . . . . . . . . . . . 19.4 m-80 -132.4 168.28 18.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.899 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 606' ' ' LEU . . . . . 0.404 HD23 ' CD ' ' A' ' 608' ' ' GLU . 2.9 tt -138.83 128.79 25.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.943 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 607' ' ' PHE . . . . . . . . . . . . . 12.3 t80 -112.57 115.37 28.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 608' ' ' GLU . . . . . 0.405 ' N ' ' OE1' ' A' ' 608' ' ' GLU . 20.1 mp0 -103.89 149.39 25.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.894 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 609' ' ' ILE . . . . . . . . . . . . . 87.7 mt -148.78 114.02 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.129 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 610' ' ' HIS . . . . . 0.578 ' CD2' ' C ' ' A' ' 610' ' ' HIS . 0.4 OUTLIER -120.17 143.02 48.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.814 179.89 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 17.0 mm -107.12 126.57 63.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.108 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 612' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -75.79 -67.05 0.71 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.903 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 613' ' ' LYS . . . . . . . . . . . . . 17.4 pttt -170.61 178.84 3.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.89 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 614' ' ' VAL . . . . . . . . . . . . . 88.0 t -126.46 112.2 28.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.147 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 615' ' ' THR . . . . . . . . . . . . . 25.9 m -87.5 140.18 29.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.177 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 616' ' ' PHE . . . . . 0.513 ' CD1' HG12 ' A' ' 620' ' ' VAL . 18.3 m-85 -110.64 157.99 19.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.942 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 1.3 t -112.98 172.82 6.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 618' ' ' SER . . . . . . . . . . . . . 23.4 p -49.18 -57.29 6.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.855 -179.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 619' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -45.29 -36.19 3.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.899 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 620' ' ' VAL . . . . . 0.513 HG12 ' CD1' ' A' ' 616' ' ' PHE . 5.6 t -77.71 -41.67 28.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.13 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 621' ' ' LEU . . . . . . . . . . . . . 93.0 mt -61.97 -46.61 88.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 622' ' ' GLN . . . . . . . . . . . . . 60.8 mt-30 -56.64 -40.34 75.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.953 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -50.24 -29.62 9.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.058 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 2.7 t -134.19 -164.7 1.54 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.849 -179.771 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 625' ' ' GLY . . . . . . . . . . . . . . . -117.22 -140.94 6.79 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.523 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 626' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -101.81 34.62 2.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.901 0.381 . . . . 0.0 110.871 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 627' ' ' LYS . . . . . 0.457 ' O ' ' C ' ' A' ' 628' ' ' GLU . 9.1 pttp -100.57 107.95 19.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 628' ' ' GLU . . . . . 0.457 ' C ' ' O ' ' A' ' 627' ' ' LYS . 51.0 mt-10 -33.55 96.65 0.1 Allowed Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.64 0.733 . . . . 0.0 110.908 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 629' ' ' PRO . . . . . 0.43 ' N ' ' O ' ' A' ' 627' ' ' LYS . 54.0 Cg_endo -69.73 113.52 3.4 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.701 2.267 . . . . 0.0 112.355 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 630' ' ' VAL . . . . . 0.461 HG12 ' CG2' ' A' ' 647' ' ' VAL . 10.7 t -80.07 116.02 23.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.146 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 631' ' ' THR . . . . . . . . . . . . . 33.8 p -144.38 175.07 10.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.14 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 632' ' ' PHE . . . . . . . . . . . . . 27.7 p90 -167.54 152.0 6.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.868 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 633' ' ' CYS . . . . . . . . . . . . . 63.4 m -95.09 152.49 18.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 634' ' ' THR . . . . . . . . . . . . . 2.5 p -150.08 128.89 12.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.16 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 635' ' ' TYR . . . . . . . . . . . . . 15.2 p90 -168.83 165.72 11.66 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.911 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 636' ' ' ALA . . . . . . . . . . . . . . . -130.05 153.73 48.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.137 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 637' ' ' PHE . . . . . 0.464 ' CD1' ' HB2' ' A' ' 638' ' ' TYR . 39.4 t80 -127.42 134.68 49.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.836 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 638' ' ' TYR . . . . . 0.554 ' HB3' ' CD2' ' A' ' 640' ' ' PHE . 4.2 t80 63.45 28.87 15.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.922 -179.867 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 639' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 59.01 34.58 23.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.888 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 640' ' ' PHE . . . . . 0.554 ' CD2' ' HB3' ' A' ' 638' ' ' TYR . 10.2 m-85 -94.37 174.67 7.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -48.76 129.99 17.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.868 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 642' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.95 110.6 0.95 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.9 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 643' ' ' GLN . . . . . . . . . . . . . 2.9 tp60 -79.53 125.15 29.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 644' ' ' THR . . . . . . . . . . . . . 50.0 m -100.04 130.17 46.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.116 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 645' ' ' THR . . . . . . . . . . . . . 57.7 p -89.23 152.8 48.33 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.584 0.706 . . . . 0.0 111.102 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 646' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 115.79 4.25 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.692 2.262 . . . . 0.0 112.387 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 647' ' ' VAL . . . . . 0.461 ' CG2' HG12 ' A' ' 630' ' ' VAL . 7.4 p -71.05 141.64 16.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.138 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 648' ' ' VAL . . . . . 0.448 HG12 ' N ' ' A' ' 649' ' ' ARG . 57.8 t -138.02 140.78 39.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.103 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 649' ' ' ARG . . . . . 0.448 ' N ' HG12 ' A' ' 648' ' ' VAL . 40.7 mtm180 -85.55 124.77 32.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.847 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 650' ' ' GLY . . . . . . . . . . . . . . . 147.27 159.18 8.2 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.481 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 651' ' ' LEU . . . . . 0.407 ' N ' HD21 ' A' ' 651' ' ' LEU . 4.1 mm? -64.36 -59.44 4.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.888 0.375 . . . . 0.0 110.916 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 652' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -113.33 80.99 4.79 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.615 0.721 . . . . 0.0 110.875 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 653' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 161.91 44.11 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.682 2.255 . . . . 0.0 112.354 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -125.66 75.02 1.45 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.896 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 655' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -45.35 -62.39 1.29 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.91 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 20.2 m-80 61.86 35.68 16.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.893 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 657' ' ' PHE . . . . . . . . . . . . . 11.5 t80 -95.1 146.22 24.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 13.5 m -121.39 144.76 48.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.155 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 17.0 m -117.83 149.31 41.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.825 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -153.05 128.89 10.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.921 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 661' ' ' TYR . . . . . . . . . . . . . 75.2 m-85 -154.34 135.65 14.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.955 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 662' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -78.91 109.96 13.67 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.939 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 663' ' ' VAL . . . . . . . . . . . . . 25.6 m -128.36 119.96 51.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.149 179.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 664' ' ' HIS . . . . . . . . . . . . . 10.0 t-80 -98.68 98.33 9.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 665' ' ' VAL . . . . . . . . . . . . . 2.5 p -175.11 137.67 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.14 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 666' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -132.55 -69.35 0.58 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 667' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -46.06 -42.71 13.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 72.6 mt -84.85 -14.87 46.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.927 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 669' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -77.55 -25.32 50.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.916 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 670' ' ' LEU . . . . . . . . . . . . . 24.8 mt -84.75 -67.94 0.76 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.901 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 671' ' ' GLN . . . . . . . . . . . . . 20.5 pt20 -45.27 -25.91 0.44 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.925 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 672' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -71.13 -41.24 70.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 673' ' ' ILE . . . . . 0.463 ' CG2' HD23 ' A' ' 704' ' ' LEU . 97.1 mt -68.12 -27.62 37.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.139 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 674' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 -86.02 -54.24 4.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 675' ' ' LYS . . . . . . . . . . . . . 26.8 mtpp -58.32 -70.3 0.15 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 676' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -104.11 170.27 8.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.927 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 10.3 p -139.88 172.13 13.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.176 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 678' ' ' ILE . . . . . 0.473 ' O ' ' N ' ' A' ' 698' ' ' LEU . 5.2 mp -89.31 142.93 12.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.156 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 22.0 m -116.3 101.2 8.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.154 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 680' ' ' LEU . . . . . . . . . . . . . 4.9 tt -109.62 116.31 31.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 681' ' ' GLU . . . . . 0.433 ' HB2' ' CE1' ' A' ' 683' ' ' HIS . 9.3 mt-10 -110.99 158.8 18.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 682' ' ' VAL . . . . . . . . . . . . . 64.1 t -122.09 98.24 5.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.17 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 683' ' ' HIS . . . . . 0.433 ' CE1' ' HB2' ' A' ' 681' ' ' GLU . 2.9 m-70 -93.35 149.63 21.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.84 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 684' ' ' GLN . . . . . . . . . . . . . 15.5 mt-30 -90.03 159.56 16.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -123.67 102.49 7.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.146 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 686' ' ' TYR . . . . . 0.433 ' O ' ' C ' ' A' ' 687' ' ' SER . 1.9 m-85 -101.23 168.33 9.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.973 -179.874 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 687' ' ' SER . . . . . 0.501 ' O ' ' CG2' ' A' ' 688' ' ' THR . 3.9 m -35.29 100.25 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 688' ' ' THR . . . . . 0.501 ' CG2' ' O ' ' A' ' 687' ' ' SER . 8.1 t 44.6 48.78 8.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.135 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 689' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -139.76 159.42 42.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.919 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 690' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -147.44 117.54 7.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.957 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 691' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -149.25 150.99 33.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 692' ' ' THR . . . . . . . . . . . . . 27.6 m -92.14 140.27 29.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.159 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 693' ' ' ILE . . . . . 0.463 HG13 ' N ' ' A' ' 694' ' ' ALA . 6.5 pt -129.53 -32.05 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.066 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 694' ' ' ALA . . . . . 0.463 ' N ' HG13 ' A' ' 693' ' ' ILE . . . -124.81 155.02 40.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.104 179.823 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 695' ' ' ALA . . . . . 0.432 ' CB ' ' HG2' ' A' ' 681' ' ' GLU . . . -161.14 124.95 3.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.067 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 696' ' ' CYS . . . . . . . . . . . . . 11.8 p -143.05 165.57 27.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.836 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 697' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -114.05 118.52 34.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 698' ' ' LEU . . . . . 0.473 ' N ' ' O ' ' A' ' 678' ' ' ILE . 21.2 mt -80.15 116.91 20.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 699' ' ' LYS . . . . . . . . . . . . . 8.0 ptpt -138.99 132.28 29.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.868 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 700' ' ' PHE . . . . . 0.524 ' HB3' ' CZ ' ' A' ' 733' ' ' PHE . 2.5 m-85 -106.81 124.88 50.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.869 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 701' ' ' HIS . . . . . . . . . . . . . 28.4 m-70 -88.42 -66.53 0.91 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.858 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 702' ' ' GLU . . . . . 0.435 ' O ' ' N ' ' A' ' 706' ' ' LYS . 5.0 mp0 -48.71 -32.66 8.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.85 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 703' ' ' ILE . . . . . 0.432 ' HB ' ' CE2' ' A' ' 733' ' ' PHE . 0.1 OUTLIER -47.65 -37.33 5.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.146 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 704' ' ' LEU . . . . . 0.463 HD23 ' CG2' ' A' ' 673' ' ' ILE . 10.7 mt -69.85 -51.46 33.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 179.854 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 705' ' ' GLU . . . . . 0.464 ' HG3' ' N ' ' A' ' 706' ' ' LYS . 4.0 tp10 -73.1 -62.99 1.27 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.895 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 706' ' ' LYS . . . . . 0.465 ' HG3' ' CD1' ' A' ' 710' ' ' ILE . 9.3 ptmt -105.39 161.56 14.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.877 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 707' ' ' SER . . . . . . . . . . . . . 3.2 m -141.94 151.61 42.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 708' ' ' GLY . . . . . . . . . . . . . . . 116.84 -108.51 1.76 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.502 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 709' ' ' ARG . . . . . . . . . . . . . 1.8 ptt180 -104.06 92.03 4.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.849 0.356 . . . . 0.0 110.878 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 710' ' ' ILE . . . . . 0.465 ' CD1' ' HG3' ' A' ' 706' ' ' LYS . 11.9 mt -124.24 121.4 61.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.117 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 711' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -80.35 127.66 32.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 712' ' ' CYS . . . . . . . . . . . . . 3.5 m -149.45 169.72 20.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 713' ' ' THR . . . . . . . . . . . . . 21.9 p -150.35 166.41 30.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.173 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 714' ' ' ALA . . . . . . . . . . . . . . . -132.03 143.52 50.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.121 179.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 715' ' ' SER . . . . . . . . . . . . . 89.1 p -91.11 148.83 22.1 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.851 -179.762 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 716' ' ' LEU . . . . . . . . . . . . . 48.4 mt -110.52 143.88 40.2 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.902 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 717' ' ' ILE . . . . . 0.43 ' N ' HD12 ' A' ' 717' ' ' ILE . 4.9 mp -134.75 118.32 25.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.123 179.822 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 718' ' ' GLY . . . . . . . . . . . . . . . -57.05 145.95 36.8 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.44 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 719' ' ' THR . . . . . . . . . . . . . 14.1 p -71.57 -73.64 0.18 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.821 0.343 . . . . 0.0 111.11 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 720' ' ' LYS . . . . . . . . . . . . . 8.3 pttt -77.81 -47.49 18.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.903 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 721' ' ' GLY . . . . . . . . . . . . . . . -60.11 -35.81 88.67 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.491 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 722' ' ' ASP . . . . . . . . . . . . . 7.9 t0 65.67 50.4 1.61 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.841 0.353 . . . . 0.0 110.888 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 723' ' ' ILE . . . . . 0.412 HG23 ' N ' ' A' ' 726' ' ' PHE . 91.5 mt -99.63 107.2 44.55 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.624 0.726 . . . . 0.0 111.146 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 724' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' ' 723' ' ' ILE . 53.5 Cg_endo -69.82 -27.28 26.39 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.663 2.242 . . . . 0.0 112.293 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 725' ' ' ASN . . . . . . . . . . . . . 55.6 m-20 -101.18 25.64 7.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.856 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 726' ' ' PHE . . . . . 0.477 ' CD1' HG22 ' A' ' 620' ' ' VAL . 20.8 t80 -51.44 -35.89 41.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.904 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 727' ' ' GLY . . . . . . . . . . . . . . . 155.24 167.87 17.54 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.496 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 728' ' ' THR . . . . . . . . . . . . . 1.6 m -121.19 147.12 46.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.814 0.34 . . . . 0.0 111.171 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 729' ' ' VAL . . . . . . . . . . . . . 13.9 p -108.2 142.3 21.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.147 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -109.13 136.62 48.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 731' ' ' TYR . . . . . . . . . . . . . 5.3 p90 -164.73 169.09 17.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 732' ' ' TRP . . . . . . . . . . . . . 32.9 p-90 -147.24 128.0 14.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.917 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 733' ' ' PHE . . . . . 0.524 ' CZ ' ' HB3' ' A' ' 700' ' ' PHE . 23.3 p90 -109.78 157.84 18.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.893 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 734' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.21 124.78 5.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.868 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 735' ' ' LEU . . . . . . . . . . . . . 34.5 tp -119.55 113.92 21.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.95 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 736' ' ' ARG . . . . . . . . . . . . . 19.2 mtm180 -143.42 163.94 31.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.91 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 737' ' ' VAL . . . . . . . . . . . . . 11.9 p -61.52 144.4 13.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.144 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 738' ' ' SER . . . . . . . . . . . . . 24.5 t . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.829 -179.847 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 588' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 8.4 t -154.59 160.8 41.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.889 0.376 . . . . 0.0 110.86 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 590' ' ' SER . . . . . . . . . . . . . 3.5 m -151.19 159.8 44.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.835 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 591' ' ' GLY . . . . . . . . . . . . . . . 155.04 -165.72 32.3 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.498 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 40.8 t -51.68 118.0 3.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.888 0.375 . . . . 0.0 110.848 -179.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 58.0 m -158.54 174.54 14.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.867 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 594' ' ' GLY . . . . . . . . . . . . . . . -141.82 160.27 27.02 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.492 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 595' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -144.3 135.56 25.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.767 0.317 . . . . 0.0 110.886 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 596' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -132.79 114.68 14.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.865 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 597' ' ' THR . . . . . . . . . . . . . 7.3 t -159.22 155.37 26.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.135 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 598' ' ' ILE . . . . . . . . . . . . . 41.4 mm -93.28 -64.79 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.169 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 599' ' ' HIS . . . . . . . . . . . . . 12.8 t-80 -112.1 128.17 56.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.862 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 600' ' ' LEU . . . . . 0.404 ' N ' HD21 ' A' ' 600' ' ' LEU . 4.5 mm? -71.37 160.95 31.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.952 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 601' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -63.49 172.01 2.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 602' ' ' ARG . . . . . . . . . . . . . 26.7 mmm180 -75.86 101.47 5.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.835 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 603' ' ' GLY . . . . . . . . . . . . . . . -175.31 179.5 46.51 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.509 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 604' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -72.0 145.61 48.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.809 0.338 . . . . 0.0 110.871 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 605' ' ' ASN . . . . . . . . . . . . . 88.7 m-20 -120.5 131.63 54.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.92 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 606' ' ' LEU . . . . . . . . . . . . . 6.0 tp -110.45 119.16 38.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.946 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 607' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -99.5 108.27 20.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.875 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 608' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -109.88 147.72 32.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 609' ' ' ILE . . . . . . . . . . . . . 69.5 mt -139.31 109.11 3.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.113 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 610' ' ' HIS . . . . . 0.525 ' HD1' ' N ' ' A' ' 611' ' ' ILE . 0.3 OUTLIER -108.19 118.7 37.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 179.883 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 611' ' ' ILE . . . . . 0.525 ' N ' ' HD1' ' A' ' 610' ' ' HIS . 12.6 mm -97.52 114.91 35.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.115 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 612' ' ' ASN . . . . . . . . . . . . . 33.4 t-20 -63.26 -67.72 0.4 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.882 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 613' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.17 178.65 3.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.898 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 614' ' ' VAL . . . . . . . . . . . . . 75.6 t -124.46 118.11 52.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.106 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 615' ' ' THR . . . . . . . . . . . . . 7.4 m -91.15 159.2 16.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.15 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 616' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -126.56 166.4 17.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.883 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 1.1 t -100.91 157.94 16.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.873 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 618' ' ' SER . . . . . . . . . . . . . 94.4 p -43.05 -28.66 0.29 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.9 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 619' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -72.02 -50.97 24.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.886 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 620' ' ' VAL . . . . . . . . . . . . . 4.7 t -67.81 -36.26 75.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.127 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 621' ' ' LEU . . . . . . . . . . . . . 88.7 mt -56.23 -47.03 79.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.851 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 622' ' ' GLN . . . . . . . . . . . . . 55.7 mm-40 -79.69 -48.54 13.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.881 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -47.85 -30.65 4.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.087 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 2.7 t -42.44 -71.41 0.08 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 625' ' ' GLY . . . . . . . . . . . . . . . 137.09 30.0 0.28 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.463 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 626' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 53.41 30.23 10.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.951 0.405 . . . . 0.0 110.874 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 29.4 mtmm -142.11 125.32 16.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -37.93 99.8 0.19 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.613 0.72 . . . . 0.0 110.879 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 629' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 131.7 21.83 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.74 2.293 . . . . 0.0 112.37 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 630' ' ' VAL . . . . . . . . . . . . . 2.4 t -109.37 120.54 60.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.161 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 631' ' ' THR . . . . . . . . . . . . . 9.7 p -139.14 167.67 21.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.172 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 632' ' ' PHE . . . . . 0.644 ' CE2' ' NE2' ' A' ' 683' ' ' HIS . 45.3 p90 -153.05 145.16 23.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.886 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 633' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -109.46 163.65 13.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.88 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 634' ' ' THR . . . . . . . . . . . . . 43.6 p -149.03 153.79 38.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.14 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 635' ' ' TYR . . . . . 0.414 ' CD1' ' C ' ' A' ' 635' ' ' TYR . 5.3 p90 -166.77 165.99 16.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.931 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 636' ' ' ALA . . . . . . . . . . . . . . . -143.75 133.96 24.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.109 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 637' ' ' PHE . . . . . 0.55 ' CD2' ' HB2' ' A' ' 638' ' ' TYR . 63.3 t80 -110.33 149.17 30.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.862 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 638' ' ' TYR . . . . . 0.55 ' HB2' ' CD2' ' A' ' 637' ' ' PHE . 3.3 t80 46.97 33.74 2.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 639' ' ' ASP . . . . . . . . . . . . . 7.5 t0 53.1 40.72 31.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.875 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 640' ' ' PHE . . . . . 0.43 ' CD2' ' HB3' ' A' ' 638' ' ' TYR . 5.5 m-85 -95.25 -174.98 3.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.866 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -61.34 127.18 30.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.862 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 642' ' ' LEU . . . . . . . . . . . . . 3.4 tp -65.54 141.88 58.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.931 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 643' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -114.5 132.69 56.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 644' ' ' THR . . . . . . . . . . . . . 59.9 m -95.11 118.13 31.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.11 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 645' ' ' THR . . . . . . . . . . . . . 46.8 p -58.0 153.27 35.07 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.562 0.696 . . . . 0.0 111.169 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 646' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 121.62 8.3 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.713 2.275 . . . . 0.0 112.324 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 647' ' ' VAL . . . . . . . . . . . . . 26.4 t -69.04 134.38 30.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.119 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 24.2 t -148.65 141.41 18.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.114 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 649' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -90.68 147.39 23.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.837 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 650' ' ' GLY . . . . . . . . . . . . . . . 135.52 -176.74 19.93 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.462 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 651' ' ' LEU . . . . . 0.51 ' HB3' ' CD2' ' A' ' 652' ' ' HIS . 4.2 mm? -94.81 -47.42 6.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.879 0.371 . . . . 0.0 110.964 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 652' ' ' HIS . . . . . 0.51 ' CD2' ' HB3' ' A' ' 651' ' ' LEU . 0.6 OUTLIER -129.45 70.05 81.62 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.574 0.702 . . . . 0.0 110.848 179.846 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 653' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 165.42 30.97 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.672 2.248 . . . . 0.0 112.373 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -117.09 80.14 1.44 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 655' ' ' TYR . . . . . . . . . . . . . 66.8 m-85 -40.51 -37.82 0.76 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.88 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 44.64 38.49 2.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.874 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 657' ' ' PHE . . . . . . . . . . . . . 56.5 t80 -96.2 130.23 43.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 13.6 m -126.78 107.47 10.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.139 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 1.3 t -106.56 137.18 45.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -147.13 145.24 29.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.895 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 661' ' ' TYR . . . . . 0.528 ' CE1' ' CD2' ' A' ' 637' ' ' PHE . 0.6 OUTLIER -149.09 128.36 12.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.932 -179.897 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 662' ' ' LEU . . . . . 0.408 ' CD1' ' C ' ' A' ' 662' ' ' LEU . 2.2 tm? -72.86 99.29 2.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.909 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 663' ' ' VAL . . . . . . . . . . . . . 10.2 m -115.76 131.92 66.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.116 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 664' ' ' HIS . . . . . 0.522 ' CG ' ' O ' ' A' ' 664' ' ' HIS . 5.0 p80 -100.72 107.1 18.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.853 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 665' ' ' VAL . . . . . . . . . . . . . 7.6 p -174.58 136.42 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.158 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 666' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -124.43 -68.76 0.84 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.915 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 667' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -56.74 -57.03 14.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.882 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 22.1 mt -62.75 -17.47 61.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 669' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -70.96 -63.19 1.15 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 670' ' ' LEU . . . . . . . . . . . . . 86.2 mt -54.02 -50.48 66.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.908 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 671' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -51.65 -42.23 61.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.916 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 672' ' ' TYR . . . . . 0.463 ' CD1' ' C ' ' A' ' 672' ' ' TYR . 1.7 t80 -60.31 -47.88 84.14 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.899 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 673' ' ' ILE . . . . . . . . . . . . . 7.5 mm -48.92 -33.03 5.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.147 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 674' ' ' GLN . . . . . . . . . . . . . 20.9 mm100 -90.47 -62.8 1.38 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.923 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 675' ' ' LYS . . . . . . . . . . . . . 39.5 mtpt -38.34 -48.67 1.36 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.917 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 676' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -147.95 145.82 28.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.848 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 677' ' ' THR . . . . . 0.425 HG22 ' CB ' ' A' ' 699' ' ' LYS . 77.0 p -111.79 175.48 5.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.128 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 678' ' ' ILE . . . . . 0.431 ' O ' ' N ' ' A' ' 698' ' ' LEU . 4.8 mp -87.86 133.66 29.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.134 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 63.1 m -109.04 107.4 17.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.155 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 680' ' ' LEU . . . . . . . . . . . . . 7.4 tt -114.31 101.68 9.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.902 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 681' ' ' GLU . . . . . 0.463 ' HG2' ' CB ' ' A' ' 695' ' ' ALA . 7.9 mt-10 -95.97 147.56 23.56 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 682' ' ' VAL . . . . . . . . . . . . . 77.0 t -109.18 106.1 20.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.139 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 683' ' ' HIS . . . . . 0.644 ' NE2' ' CE2' ' A' ' 632' ' ' PHE . 0.3 OUTLIER -104.89 147.3 27.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.86 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 684' ' ' GLN . . . . . 0.455 ' HB3' ' CE1' ' A' ' 686' ' ' TYR . 5.3 tt0 -86.75 123.83 32.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.903 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -95.8 104.93 16.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.115 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 686' ' ' TYR . . . . . 0.455 ' CE1' ' HB3' ' A' ' 684' ' ' GLN . 6.2 m-85 -89.67 164.41 14.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.928 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 687' ' ' SER . . . . . . . . . . . . . 94.3 p -77.74 5.91 8.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.896 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 688' ' ' THR . . . . . . . . . . . . . 2.4 p -131.59 -53.9 1.01 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.135 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 689' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -130.54 178.33 6.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 690' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -141.72 124.89 16.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 691' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -141.71 155.12 45.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.886 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 692' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -90.03 143.25 26.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.125 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 693' ' ' ILE . . . . . 0.41 ' N ' HD12 ' A' ' 693' ' ' ILE . 0.3 OUTLIER -132.86 -1.2 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.163 179.911 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -153.25 151.54 30.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.095 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 695' ' ' ALA . . . . . 0.463 ' CB ' ' HG2' ' A' ' 681' ' ' GLU . . . -160.37 125.86 3.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.08 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 696' ' ' CYS . . . . . . . . . . . . . 8.1 p -132.12 171.46 13.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.913 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 697' ' ' GLN . . . . . . . . . . . . . 11.4 mm100 -112.36 111.46 22.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.935 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 698' ' ' LEU . . . . . 0.431 ' N ' ' O ' ' A' ' 678' ' ' ILE . 9.7 mt -85.23 113.24 21.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.891 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 699' ' ' LYS . . . . . 0.425 ' CB ' HG22 ' A' ' 677' ' ' THR . 7.3 ptpp? -146.2 144.38 29.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 700' ' ' PHE . . . . . 0.471 ' CD1' ' CD1' ' A' ' 733' ' ' PHE . 3.7 m-85 -111.08 124.89 53.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 701' ' ' HIS . . . . . . . . . . . . . 6.5 m80 -88.99 -51.09 5.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.831 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 702' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -50.27 -43.12 53.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.898 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 703' ' ' ILE . . . . . . . . . . . . . 9.9 tt -48.13 -27.06 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.116 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 704' ' ' LEU . . . . . . . . . . . . . 12.8 mt -65.32 -36.07 82.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 705' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -107.26 -59.08 1.87 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.884 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 706' ' ' LYS . . . . . . . . . . . . . 13.0 mttt -87.54 179.47 6.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.903 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 707' ' ' SER . . . . . . . . . . . . . 5.1 m -159.48 115.8 2.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 708' ' ' GLY . . . . . . . . . . . . . . . 143.88 -149.11 21.11 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.526 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 709' ' ' ARG . . . . . . . . . . . . . 26.3 ttt180 -70.71 84.79 0.64 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.814 0.34 . . . . 0.0 110.877 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 710' ' ' ILE . . . . . . . . . . . . . 12.6 mt -107.49 96.65 4.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.149 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 711' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -52.16 133.3 33.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.938 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 712' ' ' CYS . . . . . . . . . . . . . 2.2 t -159.39 166.98 29.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 713' ' ' THR . . . . . . . . . . . . . 16.6 p -145.2 166.81 24.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.168 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 714' ' ' ALA . . . . . 0.468 ' HB3' ' CG1' ' A' ' 729' ' ' VAL . . . -137.98 145.74 42.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.094 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 715' ' ' SER . . . . . . . . . . . . . 77.9 p -93.87 154.59 17.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.88 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 716' ' ' LEU . . . . . . . . . . . . . 17.1 mt -119.85 135.15 54.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 717' ' ' ILE . . . . . . . . . . . . . 3.8 mp -122.45 140.85 45.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.165 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 718' ' ' GLY . . . . . . . . . . . . . . . -75.94 134.88 16.81 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.471 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 719' ' ' THR . . . . . . . . . . . . . 77.7 p -68.88 -58.56 3.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.807 0.337 . . . . 0.0 111.122 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 720' ' ' LYS . . . . . 0.416 ' O ' ' CG ' ' A' ' 722' ' ' ASP . 2.2 mtmp? -88.89 -65.72 0.99 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.94 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 721' ' ' GLY . . . . . . . . . . . . . . . -45.93 -23.69 1.13 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.507 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 722' ' ' ASP . . . . . 0.416 ' CG ' ' O ' ' A' ' 720' ' ' LYS . 18.1 m-20 58.22 47.31 14.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.79 0.329 . . . . 0.0 110.87 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 723' ' ' ILE . . . . . . . . . . . . . 56.9 mt -98.0 106.83 37.1 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.65 0.738 . . . . 0.0 111.086 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 724' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 -16.23 37.36 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.709 2.273 . . . . 0.0 112.34 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 725' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -112.67 44.31 1.5 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.861 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 726' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -62.11 -52.58 63.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.869 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 727' ' ' GLY . . . . . . . . . . . . . . . 167.33 167.78 28.52 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.46 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 728' ' ' THR . . . . . . . . . . . . . 3.6 m -114.64 146.4 40.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.852 0.358 . . . . 0.0 111.155 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 729' ' ' VAL . . . . . 0.468 ' CG1' ' HB3' ' A' ' 714' ' ' ALA . 14.5 p -106.43 137.37 37.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.154 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -107.16 108.19 19.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 731' ' ' TYR . . . . . 0.422 ' CD1' ' C ' ' A' ' 731' ' ' TYR . 7.3 p90 -144.08 170.15 16.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.95 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 732' ' ' TRP . . . . . 0.422 ' CE2' ' HB3' ' A' ' 610' ' ' HIS . 64.5 p-90 -152.38 139.55 19.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.893 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 733' ' ' PHE . . . . . 0.471 ' CD1' ' CD1' ' A' ' 700' ' ' PHE . 10.3 p90 -113.38 161.99 16.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.909 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 734' ' ' ARG . . . . . 0.418 ' C ' ' HD3' ' A' ' 734' ' ' ARG . 0.0 OUTLIER -155.39 136.06 13.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 -179.916 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 735' ' ' LEU . . . . . . . . . . . . . 35.2 tp -138.59 105.25 5.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.938 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 736' ' ' ARG . . . . . . . . . . . . . 40.7 ttt85 -145.8 166.15 26.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 737' ' ' VAL . . . . . . . . . . . . . 7.1 p -65.06 108.28 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.151 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 738' ' ' SER . . . . . . . . . . . . . 3.2 t -88.42 29.07 1.01 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.82 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 739' ' ' GLY . . . . . . . . . . . . . . . -67.1 145.72 46.8 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.512 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 740' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 143.36 50.55 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.675 2.25 . . . . 0.0 112.324 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 6.6 m -122.9 165.52 16.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.866 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 41.3 m -89.89 87.18 6.85 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.859 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 743' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.485 -179.963 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 588' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 49.1 m 53.18 42.09 32.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.862 0.363 . . . . 0.0 110.833 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 590' ' ' SER . . . . . . . . . . . . . 11.0 m -85.79 96.33 9.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 591' ' ' GLY . . . . . . . . . . . . . . . 122.28 131.57 3.91 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.483 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 2.5 m -115.75 157.96 23.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.879 0.371 . . . . 0.0 110.823 -179.71 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 19.2 m -107.2 -62.19 1.45 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.852 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 594' ' ' GLY . . . . . . . . . . . . . . . 132.79 72.86 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.532 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 595' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -155.62 119.58 4.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.799 0.333 . . . . 0.0 110.883 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 596' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -93.32 89.42 6.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 597' ' ' THR . . . . . . . . . . . . . 81.0 p -127.68 125.71 40.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.089 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 598' ' ' ILE . . . . . . . . . . . . . 36.4 mt -90.01 118.85 36.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.149 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 599' ' ' HIS . . . . . . . . . . . . . 16.0 m80 -46.7 107.12 0.1 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.856 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 600' ' ' LEU . . . . . . . . . . . . . 4.2 mp -64.2 148.97 48.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 601' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -96.46 161.6 13.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 602' ' ' ARG . . . . . . . . . . . . . 15.7 mmm180 -98.91 -50.38 4.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.845 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 603' ' ' GLY . . . . . . . . . . . . . . . 163.89 -62.09 0.25 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.53 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 604' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.79 149.07 23.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.872 0.368 . . . . 0.0 110.886 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 605' ' ' ASN . . . . . . . . . . . . . 62.7 m-20 -126.71 155.72 42.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 606' ' ' LEU . . . . . . . . . . . . . 7.9 tp -128.96 107.67 9.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.922 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 607' ' ' PHE . . . . . 0.484 ' CD2' ' CZ ' ' A' ' 637' ' ' PHE . 18.4 t80 -87.87 105.94 17.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.865 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 608' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -96.61 118.01 32.19 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.903 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 609' ' ' ILE . . . . . . . . . . . . . 63.1 mt -112.29 109.72 29.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.127 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 610' ' ' HIS . . . . . 0.536 ' CE1' ' HA ' ' A' ' 656' ' ' ASN . 1.0 OUTLIER -120.29 129.89 54.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 179.855 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 25.7 mm -89.74 127.56 42.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.151 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 612' ' ' ASN . . . . . . . . . . . . . 53.2 m-20 -78.88 -66.06 0.91 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.926 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 613' ' ' LYS . . . . . . . . . . . . . 5.8 ptmt -161.06 178.9 8.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.913 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 614' ' ' VAL . . . . . . . . . . . . . 68.8 t -133.11 123.58 48.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.156 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 615' ' ' THR . . . . . . . . . . . . . 25.1 m -97.98 157.25 16.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.073 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 616' ' ' PHE . . . . . 0.493 ' CD1' HG13 ' A' ' 620' ' ' VAL . 63.7 m-85 -133.03 161.3 34.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 617' ' ' SER . . . . . 0.429 ' O ' ' C ' ' A' ' 618' ' ' SER . 1.1 t -108.14 153.92 22.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.856 -179.808 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 618' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 617' ' ' SER . 28.9 m -34.39 -62.24 0.35 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.833 -179.811 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 619' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -38.81 -44.89 1.08 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.834 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 620' ' ' VAL . . . . . 0.493 HG13 ' CD1' ' A' ' 616' ' ' PHE . 7.1 t -76.69 -42.77 34.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.141 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 621' ' ' LEU . . . . . . . . . . . . . 36.2 mt -54.31 -50.15 68.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.922 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 622' ' ' GLN . . . . . . . . . . . . . 48.2 mm-40 -70.19 -42.52 72.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.902 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -44.01 -45.67 7.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.101 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 71.4 m -57.19 -58.4 8.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.846 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 625' ' ' GLY . . . . . . . . . . . . . . . 104.93 -145.17 15.88 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.467 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 626' ' ' ASP . . . . . . . . . . . . . 39.3 t0 -91.08 41.55 1.07 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.885 0.374 . . . . 0.0 110.883 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 46.4 pttt -145.28 135.07 23.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.863 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 90.6 mt-10 -63.05 119.92 56.58 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.631 0.729 . . . . 0.0 110.826 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 629' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 126.08 12.88 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.655 2.236 . . . . 0.0 112.355 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 630' ' ' VAL . . . . . 0.474 HG12 ' CG2' ' A' ' 647' ' ' VAL . 23.6 t -117.39 111.64 35.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.101 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 631' ' ' THR . . . . . . . . . . . . . 53.0 p -142.16 164.44 30.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.151 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 632' ' ' PHE . . . . . . . . . . . . . 17.4 p90 -133.36 167.6 20.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.868 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 633' ' ' CYS . . . . . . . . . . . . . 77.8 m -115.46 130.23 56.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.905 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 634' ' ' THR . . . . . . . . . . . . . 11.4 p -123.12 136.82 54.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.102 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 635' ' ' TYR . . . . . 0.465 ' CD2' HD11 ' A' ' 680' ' ' LEU . 6.5 p90 -169.57 147.82 3.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 636' ' ' ALA . . . . . . . . . . . . . . . -105.36 160.15 15.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.077 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 637' ' ' PHE . . . . . 0.484 ' CZ ' ' CD2' ' A' ' 607' ' ' PHE . 4.2 t80 -105.8 156.45 18.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.842 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 638' ' ' TYR . . . . . 0.59 ' O ' ' CD2' ' A' ' 640' ' ' PHE . 3.3 t80 -34.4 100.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.952 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 639' ' ' ASP . . . . . 0.403 ' OD2' ' CE1' ' A' ' 638' ' ' TYR . 2.5 m-20 60.28 54.77 3.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.858 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 640' ' ' PHE . . . . . 0.59 ' CD2' ' O ' ' A' ' 638' ' ' TYR . 80.7 m-85 -144.53 149.65 36.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.856 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.6 149.57 48.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 642' ' ' LEU . . . . . . . . . . . . . 2.5 tp -59.17 136.59 58.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.909 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 643' ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 -116.76 125.76 52.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 644' ' ' THR . . . . . . . . . . . . . 61.0 m -85.25 134.57 34.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.155 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 645' ' ' THR . . . . . . . . . . . . . 37.3 p -91.93 153.57 43.5 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.586 0.708 . . . . 0.0 111.145 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 646' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 108.7 2.15 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.651 2.234 . . . . 0.0 112.333 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 647' ' ' VAL . . . . . 0.474 ' CG2' HG12 ' A' ' 630' ' ' VAL . 10.9 p -68.81 150.66 10.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.165 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 98.7 t -142.16 142.41 27.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.119 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 649' ' ' ARG . . . . . . . . . . . . . 60.2 mtt180 -84.98 129.3 34.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 650' ' ' GLY . . . . . . . . . . . . . . . 138.9 162.08 9.0 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.465 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 651' ' ' LEU . . . . . 0.45 ' HB3' ' CD2' ' A' ' 652' ' ' HIS . 4.2 mm? -68.06 -67.1 0.49 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.842 0.353 . . . . 0.0 110.918 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 652' ' ' HIS . . . . . 0.45 ' CD2' ' HB3' ' A' ' 651' ' ' LEU . 10.4 m-70 -113.46 64.97 1.08 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.598 0.714 . . . . 0.0 110.824 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 653' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 178.06 4.95 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.691 2.261 . . . . 0.0 112.317 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -120.58 108.91 14.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.901 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 655' ' ' TYR . . . . . . . . . . . . . 47.3 m-85 -75.57 -48.49 22.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.952 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 656' ' ' ASN . . . . . 0.536 ' HA ' ' CE1' ' A' ' 610' ' ' HIS . 1.2 p-10 41.95 38.61 1.08 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.889 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 657' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -90.34 135.85 33.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 21.6 m -109.62 136.66 48.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.169 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 90.4 p -150.89 114.21 4.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.871 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 660' ' ' GLN . . . . . 0.507 ' C ' ' CD ' ' A' ' 660' ' ' GLN . 3.2 pp0? -137.6 164.74 28.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.907 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 661' ' ' TYR . . . . . . . . . . . . . 92.3 m-85 -154.96 150.97 27.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.91 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 662' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -73.11 107.62 5.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.94 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 663' ' ' VAL . . . . . . . . . . . . . 16.2 m -125.24 116.09 45.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.126 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 664' ' ' HIS . . . . . . . . . . . . . 6.2 t-80 -103.02 104.74 14.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.877 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 665' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -165.88 144.13 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.151 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 666' ' ' ASN . . . . . . . . . . . . . 10.6 t30 -113.39 -67.4 1.0 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.845 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 667' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -75.57 -56.0 5.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.833 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -50.77 -28.76 9.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.876 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 669' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -59.85 -66.83 0.45 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 670' ' ' LEU . . . . . . . . . . . . . 51.1 mt -61.63 -47.08 87.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.919 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 671' ' ' GLN . . . . . . . . . . . . . 63.2 mt-30 -47.95 -48.91 31.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.921 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 672' ' ' TYR . . . . . 0.41 ' CD1' ' C ' ' A' ' 672' ' ' TYR . 0.5 OUTLIER -58.82 -29.62 67.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 -179.87 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 673' ' ' ILE . . . . . . . . . . . . . 63.5 mt -77.1 -56.5 7.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.118 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 674' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -61.69 -34.61 76.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 675' ' ' LYS . . . . . . . . . . . . . 28.7 mtpp -78.11 -67.01 0.77 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.854 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 676' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -109.17 164.31 12.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.894 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 25.1 p -129.79 172.31 11.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.125 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 678' ' ' ILE . . . . . . . . . . . . . 5.2 mp -91.17 139.65 17.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.139 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 22.6 m -111.26 94.29 4.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.183 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 680' ' ' LEU . . . . . 0.465 HD11 ' CD2' ' A' ' 635' ' ' TYR . 6.7 tt -102.9 106.19 16.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 681' ' ' GLU . . . . . 0.493 ' OE1' ' N ' ' A' ' 696' ' ' CYS . 2.1 mm-40 -98.19 148.01 24.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 682' ' ' VAL . . . . . . . . . . . . . 87.1 t -115.01 104.76 17.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.128 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 683' ' ' HIS . . . . . 0.603 ' N ' ' CD2' ' A' ' 683' ' ' HIS . 0.2 OUTLIER -94.85 149.81 20.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 179.926 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 684' ' ' GLN . . . . . 0.434 ' HB3' ' CZ ' ' A' ' 686' ' ' TYR . 4.6 tt0 -90.27 129.56 36.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.895 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -87.8 103.91 16.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.109 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 686' ' ' TYR . . . . . 0.434 ' CZ ' ' HB3' ' A' ' 684' ' ' GLN . 30.6 m-85 -91.92 167.35 12.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 687' ' ' SER . . . . . . . . . . . . . 2.7 m -53.93 -58.41 7.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.891 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 688' ' ' THR . . . . . . . . . . . . . 77.3 p -130.22 29.53 4.88 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.123 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 689' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -141.84 160.12 40.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.917 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 690' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -151.03 116.26 5.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.952 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 691' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -149.48 155.17 39.95 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.871 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 692' ' ' THR . . . . . . . . . . . . . 36.6 m -90.41 114.48 26.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.157 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 693' ' ' ILE . . . . . . . . . . . . . 14.6 pt -94.12 -28.11 4.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.118 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -134.75 155.02 51.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.106 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 695' ' ' ALA . . . . . 0.416 ' HB2' ' CD ' ' A' ' 681' ' ' GLU . . . -157.28 126.55 5.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.129 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 696' ' ' CYS . . . . . 0.493 ' N ' ' OE1' ' A' ' 681' ' ' GLU . 31.3 p -139.79 -177.38 4.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.853 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 697' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -136.06 125.66 25.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.929 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 698' ' ' LEU . . . . . 0.447 HD11 ' CD1' ' A' ' 680' ' ' LEU . 46.7 mt -84.18 128.87 34.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 699' ' ' LYS . . . . . . . . . . . . . 8.9 ptpt -148.08 138.07 22.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 700' ' ' PHE . . . . . 0.479 ' CD1' ' N ' ' A' ' 700' ' ' PHE . 0.2 OUTLIER -110.2 125.35 52.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.849 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 701' ' ' HIS . . . . . . . . . . . . . 36.0 m-70 -90.57 -57.74 2.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.853 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 702' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -50.81 -35.02 30.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.903 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 703' ' ' ILE . . . . . 0.406 HG23 ' O ' ' A' ' 700' ' ' PHE . 10.1 tt -47.32 -19.09 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.155 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 704' ' ' LEU . . . . . 0.465 HD23 ' N ' ' A' ' 704' ' ' LEU . 2.5 mm? -79.13 -47.92 15.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 705' ' ' GLU . . . . . 0.464 ' HG3' ' N ' ' A' ' 706' ' ' LYS . 22.6 pt-20 -80.07 -47.0 15.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 706' ' ' LYS . . . . . 0.464 ' N ' ' HG3' ' A' ' 705' ' ' GLU . 6.6 ptpt -119.63 153.94 34.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 707' ' ' SER . . . . . . . . . . . . . 67.7 m -134.09 94.68 3.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.851 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 708' ' ' GLY . . . . . . . . . . . . . . . 160.28 -136.74 4.67 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.491 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 709' ' ' ARG . . . . . . . . . . . . . 16.9 mtm180 -55.88 91.03 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.796 0.331 . . . . 0.0 110.884 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 710' ' ' ILE . . . . . 0.441 ' CD1' ' HG3' ' A' ' 706' ' ' LYS . 7.6 mt -137.58 139.51 43.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.118 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 711' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 -105.04 149.76 25.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.908 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 712' ' ' CYS . . . . . . . . . . . . . 16.7 m -159.49 169.66 23.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.87 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 713' ' ' THR . . . . . . . . . . . . . 12.6 p -148.63 163.91 35.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.148 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 714' ' ' ALA . . . . . 0.469 ' HB3' ' CG1' ' A' ' 729' ' ' VAL . . . -141.52 141.19 33.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.08 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 715' ' ' SER . . . . . . . . . . . . . 23.5 p -91.72 148.79 21.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 716' ' ' LEU . . . . . . . . . . . . . 21.1 mt -110.42 141.05 44.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.925 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 717' ' ' ILE . . . . . . . . . . . . . 5.1 mp -124.21 145.57 31.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.166 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 718' ' ' GLY . . . . . . . . . . . . . . . -83.51 129.1 8.91 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.515 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 719' ' ' THR . . . . . . . . . . . . . 46.7 p -59.24 -61.85 2.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.863 0.363 . . . . 0.0 111.111 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 720' ' ' LYS . . . . . . . . . . . . . 28.5 mttm -86.6 -56.5 3.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.919 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 721' ' ' GLY . . . . . . . . . . . . . . . -48.98 -19.59 1.53 Allowed Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.491 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 722' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 53.67 37.32 25.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.86 0.362 . . . . 0.0 110.919 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 723' ' ' ILE . . . . . . . . . . . . . 44.3 mt -93.16 113.68 60.64 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.633 0.73 . . . . 0.0 111.117 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 724' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -29.88 23.26 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.742 2.295 . . . . 0.0 112.317 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 725' ' ' ASN . . . . . . . . . . . . . 20.7 m-20 -99.59 38.29 1.46 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.894 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 726' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -46.74 -49.8 19.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.893 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 727' ' ' GLY . . . . . . . . . . . . . . . 176.37 -144.95 7.23 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.511 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 728' ' ' THR . . . . . . . . . . . . . 48.4 m -160.91 151.72 18.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.832 0.348 . . . . 0.0 111.147 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 729' ' ' VAL . . . . . 0.469 ' CG1' ' HB3' ' A' ' 714' ' ' ALA . 12.3 p -119.2 125.33 74.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.148 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -103.62 121.72 43.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.883 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 731' ' ' TYR . . . . . . . . . . . . . 51.1 p90 -157.03 164.65 37.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.881 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 732' ' ' TRP . . . . . . . . . . . . . 42.0 p-90 -126.3 158.15 36.54 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.958 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 733' ' ' PHE . . . . . 0.455 ' CD1' ' N ' ' A' ' 733' ' ' PHE . 1.1 p90 -146.97 127.55 14.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.897 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 734' ' ' ARG . . . . . . . . . . . . . 20.5 ttp180 -136.19 112.86 10.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.913 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 735' ' ' LEU . . . . . . . . . . . . . 12.8 tp -101.43 111.41 23.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.947 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 736' ' ' ARG . . . . . . . . . . . . . 50.2 mtt180 -145.04 161.15 40.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.837 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 737' ' ' VAL . . . . . 0.401 HG22 ' N ' ' A' ' 738' ' ' SER . 14.6 p -52.43 145.68 2.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.151 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 738' ' ' SER . . . . . 0.401 ' N ' HG22 ' A' ' 737' ' ' VAL . 35.9 t -126.35 157.52 38.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.912 -179.837 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 739' ' ' GLY . . . . . . . . . . . . . . . -75.71 161.24 52.37 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.474 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 740' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 115.94 4.33 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.695 2.263 . . . . 0.0 112.34 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 8.0 t 44.59 43.26 6.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.846 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 7.4 t -88.36 115.9 26.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 743' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.474 -179.979 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 588' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 22.9 p -140.15 152.88 46.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.868 0.366 . . . . 0.0 110.88 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 590' ' ' SER . . . . . . . . . . . . . 4.2 t -99.7 -59.26 1.75 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.889 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 591' ' ' GLY . . . . . . . . . . . . . . . 152.25 -169.67 31.5 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.449 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 15.7 m -100.04 117.94 35.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.893 0.377 . . . . 0.0 110.865 -179.726 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 58.3 m -84.86 140.15 31.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.831 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 594' ' ' GLY . . . . . . . . . . . . . . . -109.53 97.19 1.02 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.499 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 595' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -130.63 140.87 50.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.752 0.311 . . . . 0.0 110.886 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 596' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -131.56 88.02 2.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.825 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 597' ' ' THR . . . . . . . . . . . . . 31.5 p -119.33 121.41 39.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.147 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 598' ' ' ILE . . . . . . . . . . . . . 38.6 mt -70.85 -59.6 3.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.17 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 599' ' ' HIS . . . . . . . . . . . . . 44.4 m-70 -92.73 123.92 36.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.8 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 600' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -91.41 177.37 6.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 601' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -93.03 166.44 12.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.882 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 602' ' ' ARG . . . . . . . . . . . . . 38.9 mtp180 -104.73 141.95 35.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.892 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 603' ' ' GLY . . . . . . . . . . . . . . . 150.85 -123.46 1.53 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.485 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 604' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -78.57 145.76 34.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.867 0.365 . . . . 0.0 110.854 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 605' ' ' ASN . . . . . . . . . . . . . 7.7 m-80 -129.34 128.51 43.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.851 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 606' ' ' LEU . . . . . . . . . . . . . 18.2 tp -110.84 115.36 29.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.931 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 607' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -106.13 103.69 13.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 608' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -107.35 126.41 52.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 609' ' ' ILE . . . . . . . . . . . . . 20.8 mt -116.21 120.04 63.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.124 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 610' ' ' HIS . . . . . 0.55 ' CE1' ' HA ' ' A' ' 656' ' ' ASN . 1.8 t60 -121.82 131.04 53.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.842 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 30.9 mm -101.98 111.39 31.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.101 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 612' ' ' ASN . . . . . . . . . . . . . 15.3 t-20 -66.09 -67.14 0.47 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.949 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 613' ' ' LYS . . . . . . . . . . . . . 21.1 pttt -170.23 170.95 7.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.893 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 614' ' ' VAL . . . . . . . . . . . . . 14.6 t -113.6 134.65 55.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.138 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 615' ' ' THR . . . . . . . . . . . . . 8.6 m -102.3 125.52 49.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.177 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 616' ' ' PHE . . . . . 0.56 ' CD2' HG23 ' A' ' 620' ' ' VAL . 3.8 m-30 -99.03 139.43 34.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 1.2 t -90.36 153.46 20.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.869 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 618' ' ' SER . . . . . . . . . . . . . 36.8 p -38.15 -38.93 0.37 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.863 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 619' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -41.64 -66.86 0.3 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.886 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 620' ' ' VAL . . . . . 0.56 HG23 ' CD2' ' A' ' 616' ' ' PHE . 22.0 m -64.13 -38.92 83.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.15 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 621' ' ' LEU . . . . . 0.41 ' N ' HG22 ' A' ' 620' ' ' VAL . 18.5 mt -49.3 -46.52 46.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.941 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 622' ' ' GLN . . . . . . . . . . . . . 70.3 mt-30 -73.03 -63.94 1.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.919 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -43.32 -37.44 2.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.127 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 1.2 t -78.74 -62.68 1.62 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.868 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 625' ' ' GLY . . . . . . . . . . . . . . . 110.02 -155.33 16.15 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.501 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 626' ' ' ASP . . . . . 0.41 ' CG ' ' O ' ' A' ' 626' ' ' ASP . 20.6 t0 -86.81 44.72 1.19 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.93 0.395 . . . . 0.0 110.882 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 15.1 ptmt -119.17 161.83 19.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -113.58 89.11 14.67 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.61 0.719 . . . . 0.0 110.938 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 629' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 124.6 11.27 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.647 2.231 . . . . 0.0 112.341 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 630' ' ' VAL . . . . . 0.45 HG22 ' CB ' ' A' ' 649' ' ' ARG . 4.5 t -90.26 124.07 42.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.14 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 631' ' ' THR . . . . . 0.415 HG21 ' CB ' ' A' ' 684' ' ' GLN . 11.0 p -136.41 160.18 39.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.173 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 632' ' ' PHE . . . . . . . . . . . . . 49.1 p90 -140.04 142.04 36.23 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 633' ' ' CYS . . . . . . . . . . . . . 88.6 m -93.92 148.68 21.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 634' ' ' THR . . . . . . . . . . . . . 12.9 p -147.53 131.22 16.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.144 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 635' ' ' TYR . . . . . . . . . . . . . 16.7 p90 -170.46 173.46 5.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.961 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 636' ' ' ALA . . . . . . . . . . . . . . . -134.07 155.88 49.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.12 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 637' ' ' PHE . . . . . 0.484 ' CZ ' ' HB2' ' A' ' 638' ' ' TYR . 3.4 t80 -120.14 150.24 40.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.885 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 638' ' ' TYR . . . . . 0.484 ' HB2' ' CZ ' ' A' ' 637' ' ' PHE . 12.9 t80 36.49 38.37 0.07 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 639' ' ' ASP . . . . . . . . . . . . . 55.4 m-20 54.0 47.14 24.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.87 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 640' ' ' PHE . . . . . 0.427 ' N ' ' O ' ' A' ' 637' ' ' PHE . 11.1 m-85 -104.67 179.82 4.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -49.92 128.02 17.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.863 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 642' ' ' LEU . . . . . 0.422 ' CD1' ' C ' ' A' ' 642' ' ' LEU . 1.2 tm? -54.14 112.42 0.97 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.924 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 643' ' ' GLN . . . . . . . . . . . . . 17.6 mm-40 -85.5 117.34 24.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 644' ' ' THR . . . . . . . . . . . . . 53.2 m -102.46 133.32 47.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.153 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 645' ' ' THR . . . . . . . . . . . . . 18.9 p -91.68 154.77 44.02 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.598 0.713 . . . . 0.0 111.116 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 646' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 141.42 45.51 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.715 2.277 . . . . 0.0 112.328 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 647' ' ' VAL . . . . . 0.444 ' CG1' HG11 ' A' ' 630' ' ' VAL . 43.5 t -68.84 131.27 33.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.145 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 648' ' ' VAL . . . . . 0.409 HG23 ' C ' ' A' ' 647' ' ' VAL . 21.5 t -140.31 132.58 32.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.147 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 649' ' ' ARG . . . . . 0.45 ' CB ' HG22 ' A' ' 630' ' ' VAL . 8.7 ptm180 -89.31 143.51 26.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 650' ' ' GLY . . . . . . . . . . . . . . . 125.56 155.0 8.88 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.498 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 651' ' ' LEU . . . . . 0.423 ' C ' ' HD3' ' A' ' 653' ' ' PRO . 6.3 mp -71.22 -46.46 61.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.846 0.355 . . . . 0.0 110.889 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 652' ' ' HIS . . . . . . . . . . . . . 15.1 m-70 -110.15 67.55 0.48 Allowed Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.567 0.698 . . . . 0.0 110.862 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 653' ' ' PRO . . . . . 0.423 ' HD3' ' C ' ' A' ' 651' ' ' LEU . 53.5 Cg_endo -69.7 124.03 10.7 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.722 2.281 . . . . 0.0 112.333 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -87.22 83.92 7.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.898 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 655' ' ' TYR . . . . . . . . . . . . . 86.1 m-85 -57.9 -53.95 52.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.958 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 656' ' ' ASN . . . . . 0.55 ' HA ' ' CE1' ' A' ' 610' ' ' HIS . 14.2 m120 46.89 43.49 13.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.853 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 657' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -99.95 108.08 20.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.859 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 19.4 m -90.38 142.83 27.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.15 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 8.0 t -131.47 145.68 51.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -131.31 130.92 43.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.865 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 661' ' ' TYR . . . . . . . . . . . . . 31.3 m-85 -151.37 122.0 7.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 662' ' ' LEU . . . . . 0.416 ' C ' HD11 ' A' ' 662' ' ' LEU . 1.1 tm? -74.75 116.13 15.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.916 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 663' ' ' VAL . . . . . . . . . . . . . 1.2 m -123.89 117.42 50.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.151 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 664' ' ' HIS . . . . . . . . . . . . . 11.0 p-80 -94.84 103.6 15.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.884 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 665' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -142.38 166.05 16.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.16 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 666' ' ' ASN . . . . . 0.44 ' O ' ' C ' ' A' ' 667' ' ' ASP . 2.0 m-80 -109.97 -174.97 2.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 667' ' ' ASP . . . . . 0.44 ' C ' ' O ' ' A' ' 666' ' ' ASN . 1.3 m-20 -34.02 -40.28 0.08 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.852 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 668' ' ' LEU . . . . . 0.43 ' O ' ' N ' ' A' ' 671' ' ' GLN . 4.6 mm? -36.59 -52.85 0.88 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 669' ' ' PHE . . . . . 0.41 ' C ' ' O ' ' A' ' 668' ' ' LEU . 10.7 t80 -36.14 -48.2 0.6 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.858 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 670' ' ' LEU . . . . . . . . . . . . . 44.8 mt -59.02 -45.87 89.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 671' ' ' GLN . . . . . 0.43 ' N ' ' O ' ' A' ' 668' ' ' LEU . 15.4 mt-30 -58.4 -40.24 81.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.879 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 672' ' ' TYR . . . . . 0.459 ' CD1' ' C ' ' A' ' 672' ' ' TYR . 0.3 OUTLIER -55.82 -44.55 77.99 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.911 -179.824 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 673' ' ' ILE . . . . . 0.425 HD13 ' CG2' ' A' ' 703' ' ' ILE . 85.6 mt -56.66 -29.12 28.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.134 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 674' ' ' GLN . . . . . 0.42 ' HG2' ' CD2' ' A' ' 704' ' ' LEU . 5.4 mm-40 -77.22 -61.39 2.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.945 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 675' ' ' LYS . . . . . . . . . . . . . 17.3 mtpp -63.12 -58.44 7.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.911 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 676' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -103.53 158.68 16.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.858 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 677' ' ' THR . . . . . 0.414 HG23 ' CB ' ' A' ' 699' ' ' LYS . 20.2 p -139.37 171.63 13.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.118 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 678' ' ' ILE . . . . . 0.427 ' O ' ' N ' ' A' ' 698' ' ' LEU . 15.4 mt -87.46 124.66 40.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.178 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 28.5 m -101.93 101.22 11.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.126 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 680' ' ' LEU . . . . . 0.445 ' CD2' ' O ' ' A' ' 680' ' ' LEU . 3.2 tt -113.83 105.28 13.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 681' ' ' GLU . . . . . . . . . . . . . 28.0 mp0 -94.24 145.2 24.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.869 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 682' ' ' VAL . . . . . . . . . . . . . 71.3 t -98.35 98.79 7.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.129 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 683' ' ' HIS . . . . . 0.429 ' CD2' ' N ' ' A' ' 683' ' ' HIS . 4.2 m170 -87.74 124.26 33.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 684' ' ' GLN . . . . . 0.415 ' CB ' HG21 ' A' ' 631' ' ' THR . 43.7 tt0 -91.03 148.31 22.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.945 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -123.13 128.18 49.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.11 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 686' ' ' TYR . . . . . 0.433 ' CD2' ' O ' ' A' ' 689' ' ' GLU . 0.6 OUTLIER -94.65 168.44 10.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 -179.833 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 687' ' ' SER . . . . . . . . . . . . . 89.0 p -59.41 -10.73 3.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.858 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 688' ' ' THR . . . . . . . . . . . . . 24.6 p -114.31 -74.23 0.63 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.193 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 689' ' ' GLU . . . . . 0.433 ' O ' ' CD2' ' A' ' 686' ' ' TYR . 3.9 pt-20 -119.74 -178.93 3.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.918 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 690' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -135.22 139.61 44.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.928 -179.854 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 691' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -149.69 155.22 39.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 692' ' ' THR . . . . . . . . . . . . . 19.2 m -67.11 134.37 51.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.157 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 693' ' ' ILE . . . . . . . . . . . . . 5.9 pt -126.33 -25.48 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.133 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -139.01 155.03 48.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.124 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 695' ' ' ALA . . . . . . . . . . . . . . . -152.63 125.71 8.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.095 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 696' ' ' CYS . . . . . . . . . . . . . 14.6 p -144.65 171.24 14.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 697' ' ' GLN . . . . . 0.503 ' N ' ' CD ' ' A' ' 697' ' ' GLN . 0.0 OUTLIER -128.18 128.26 44.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 -179.88 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 698' ' ' LEU . . . . . 0.427 ' N ' ' O ' ' A' ' 678' ' ' ILE . 35.8 mt -90.74 119.25 30.81 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.9 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 699' ' ' LYS . . . . . 0.414 ' CB ' HG23 ' A' ' 677' ' ' THR . 9.3 ptpt -134.76 133.07 39.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.943 179.792 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 700' ' ' PHE . . . . . 0.785 ' CD1' ' CD1' ' A' ' 733' ' ' PHE . 2.9 m-85 -99.17 125.92 44.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 701' ' ' HIS . . . . . . . . . . . . . 6.9 m80 -88.32 -52.76 5.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.827 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 702' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -50.4 -38.75 44.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 703' ' ' ILE . . . . . 0.512 ' HB ' ' CE2' ' A' ' 733' ' ' PHE . 8.5 tt -47.95 -18.92 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.146 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 704' ' ' LEU . . . . . 0.42 ' CD2' ' HG2' ' A' ' 674' ' ' GLN . 13.7 mt -71.09 -42.08 69.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 705' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -104.45 -48.25 3.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 706' ' ' LYS . . . . . . . . . . . . . 58.3 mttp -83.49 173.57 11.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 707' ' ' SER . . . . . . . . . . . . . 20.2 m -157.89 108.14 2.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.868 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 708' ' ' GLY . . . . . . . . . . . . . . . 140.96 -149.9 21.36 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.521 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 709' ' ' ARG . . . . . . . . . . . . . 21.2 mtp180 -63.74 98.05 0.18 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.778 0.323 . . . . 0.0 110.85 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 710' ' ' ILE . . . . . 0.462 ' HB ' ' CZ ' ' A' ' 733' ' ' PHE . 30.6 mt -124.63 111.5 28.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.108 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 711' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -75.43 134.06 40.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 712' ' ' CYS . . . . . . . . . . . . . 86.5 m -150.38 178.51 8.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.875 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 713' ' ' THR . . . . . . . . . . . . . 34.1 p -150.72 169.31 21.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.128 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 714' ' ' ALA . . . . . . . . . . . . . . . -141.65 155.5 45.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.114 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 715' ' ' SER . . . . . . . . . . . . . 78.0 p -92.43 152.4 19.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 716' ' ' LEU . . . . . . . . . . . . . 14.0 mt -116.24 143.85 44.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.956 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 717' ' ' ILE . . . . . . . . . . . . . 4.5 mp -134.83 143.57 37.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.1 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 718' ' ' GLY . . . . . . . . . . . . . . . -82.41 147.74 25.9 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.493 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 719' ' ' THR . . . . . . . . . . . . . 44.3 p -78.92 -47.31 16.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.8 0.334 . . . . 0.0 111.106 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 720' ' ' LYS . . . . . . . . . . . . . 19.8 mttm -93.86 -55.76 3.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.902 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 721' ' ' GLY . . . . . . . . . . . . . . . -64.6 -7.84 29.73 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.491 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 722' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 40.38 41.11 0.97 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.778 0.323 . . . . 0.0 110.847 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 723' ' ' ILE . . . . . . . . . . . . . 81.6 mt -87.63 113.11 52.81 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.609 0.718 . . . . 0.0 111.158 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 724' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 -45.29 1.64 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.703 2.269 . . . . 0.0 112.294 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 725' ' ' ASN . . . . . . . . . . . . . 43.2 m-20 -83.64 43.11 0.88 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.846 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 726' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -62.19 -44.52 96.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.868 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 727' ' ' GLY . . . . . . . . . . . . . . . 159.63 176.27 31.51 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.483 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 728' ' ' THR . . . . . . . . . . . . . 2.4 m -122.99 145.56 48.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.842 0.353 . . . . 0.0 111.135 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 729' ' ' VAL . . . . . . . . . . . . . 11.6 p -104.25 147.39 10.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.132 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -113.74 133.03 55.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.929 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 731' ' ' TYR . . . . . . . . . . . . . 31.1 p90 -164.88 174.16 10.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.935 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 732' ' ' TRP . . . . . 0.481 ' HE1' ' CD2' ' A' ' 610' ' ' HIS . 69.6 p-90 -151.29 121.52 7.26 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.909 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 733' ' ' PHE . . . . . 0.785 ' CD1' ' CD1' ' A' ' 700' ' ' PHE . 25.7 p90 -102.49 145.07 30.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.857 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 734' ' ' ARG . . . . . . . . . . . . . 7.3 tmm_? -137.38 115.25 11.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.884 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 735' ' ' LEU . . . . . . . . . . . . . 46.4 tp -117.14 106.96 13.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.943 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 736' ' ' ARG . . . . . 0.461 ' HD2' ' N ' ' A' ' 737' ' ' VAL . 2.2 tmm_? -149.38 146.33 27.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 737' ' ' VAL . . . . . 0.461 ' N ' ' HD2' ' A' ' 736' ' ' ARG . 11.8 p -52.15 133.05 14.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.117 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 738' ' ' SER . . . . . . . . . . . . . 2.6 p -88.86 140.9 28.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.814 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 739' ' ' GLY . . . . . . . . . . . . . . . 118.9 124.42 3.31 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.459 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 740' ' ' PRO . . . . . 0.448 ' O ' ' C ' ' A' ' 741' ' ' SER . 54.4 Cg_endo -69.78 2.8 3.21 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.68 2.253 . . . . 0.0 112.355 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 741' ' ' SER . . . . . 0.448 ' C ' ' O ' ' A' ' 740' ' ' PRO . 36.4 p -33.96 135.54 0.14 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 27.2 t -93.15 -56.73 2.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.838 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 743' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.532 -179.997 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 588' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 1.2 t 57.2 47.78 16.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.896 0.379 . . . . 0.0 110.842 -179.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 590' ' ' SER . . . . . . . . . . . . . 1.9 m -114.48 113.87 25.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.875 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 591' ' ' GLY . . . . . . . . . . . . . . . 46.66 86.86 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.475 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 73.4 m -163.26 141.42 7.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.919 0.39 . . . . 0.0 110.882 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 8.0 t -86.34 -62.22 1.56 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.823 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 594' ' ' GLY . . . . . . . . . . . . . . . -72.04 102.15 1.12 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.463 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 595' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -143.8 121.13 11.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.764 0.316 . . . . 0.0 110.856 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 596' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -116.5 114.18 23.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.866 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 597' ' ' THR . . . . . . . . . . . . . 44.8 p -68.17 110.57 4.06 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.155 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 598' ' ' ILE . . . . . 0.587 ' O ' ' CD2' ' A' ' 599' ' ' HIS . 4.1 mm -101.76 139.91 21.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.15 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 599' ' ' HIS . . . . . 0.587 ' CD2' ' O ' ' A' ' 598' ' ' ILE . 12.1 p80 41.07 54.7 3.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.839 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 600' ' ' LEU . . . . . 0.419 ' C ' ' O ' ' A' ' 599' ' ' HIS . 15.3 mt -36.76 129.21 0.82 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 601' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -46.12 169.03 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 602' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.7 165.8 19.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.882 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 603' ' ' GLY . . . . . . . . . . . . . . . 125.05 -84.02 0.35 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.488 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 604' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -150.76 137.93 19.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.853 0.358 . . . . 0.0 110.882 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 605' ' ' ASN . . . . . . . . . . . . . 26.0 m120 -117.78 148.45 42.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.901 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 606' ' ' LEU . . . . . . . . . . . . . 26.4 tp -118.16 126.03 51.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 607' ' ' PHE . . . . . 0.437 ' CD2' ' HB2' ' A' ' 735' ' ' LEU . 0.5 OUTLIER -122.87 119.76 31.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.839 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 608' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -129.68 127.69 41.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.913 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 609' ' ' ILE . . . . . . . . . . . . . 57.1 mt -117.01 122.29 69.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.147 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 610' ' ' HIS . . . . . 0.429 ' ND1' ' N ' ' A' ' 611' ' ' ILE . 1.1 t60 -114.63 147.63 39.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 179.846 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 611' ' ' ILE . . . . . 0.429 ' N ' ' ND1' ' A' ' 610' ' ' HIS . 12.4 mm -114.29 105.2 18.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.126 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 612' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 -59.84 -67.64 0.36 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 613' ' ' LYS . . . . . . . . . . . . . 36.0 pttt -166.51 170.99 12.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 614' ' ' VAL . . . . . . . . . . . . . 9.4 p -119.69 127.36 75.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.144 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 615' ' ' THR . . . . . . . . . . . . . 89.7 m -105.2 143.83 32.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.163 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 616' ' ' PHE . . . . . 0.516 ' CD1' HG11 ' A' ' 620' ' ' VAL . 87.6 m-85 -117.06 165.35 13.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.842 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -101.28 165.27 11.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.874 -179.84 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 618' ' ' SER . . . . . . . . . . . . . 52.1 m -44.51 -62.96 1.0 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.865 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 619' ' ' GLU . . . . . 0.422 ' CD ' HG23 ' A' ' 723' ' ' ILE . 1.6 pp20? -38.3 -52.63 1.51 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.911 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 620' ' ' VAL . . . . . 0.516 HG11 ' CD1' ' A' ' 616' ' ' PHE . 4.1 t -58.86 -51.16 75.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.112 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 621' ' ' LEU . . . . . . . . . . . . . 24.5 mt -54.22 -67.42 0.26 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 622' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -52.62 -41.51 63.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.891 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -50.54 -23.44 2.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.139 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 25.1 p -93.73 -39.46 10.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 625' ' ' GLY . . . . . . . . . . . . . . . 111.48 -149.47 18.0 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.483 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 626' ' ' ASP . . . . . . . . . . . . . 49.6 m-20 -91.88 44.97 1.19 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.841 0.353 . . . . 0.0 110.867 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 9.3 ptpp? -142.11 -176.44 4.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.922 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 628' ' ' GLU . . . . . 0.407 ' O ' ' CG ' ' A' ' 628' ' ' GLU . 4.6 pt-20 -128.6 104.12 19.37 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.624 0.726 . . . . 0.0 110.9 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 629' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 142.63 48.61 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.683 2.255 . . . . 0.0 112.398 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 630' ' ' VAL . . . . . . . . . . . . . 21.4 t -94.86 130.23 43.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.081 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 631' ' ' THR . . . . . . . . . . . . . 1.2 p -150.05 162.07 41.12 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.079 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 632' ' ' PHE . . . . . 0.635 ' CZ ' ' NE2' ' A' ' 683' ' ' HIS . 2.2 p90 -146.34 158.27 43.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 633' ' ' CYS . . . . . . . . . . . . . 1.8 m -90.58 155.46 18.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 634' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -149.42 123.97 9.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.096 -179.832 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 635' ' ' TYR . . . . . 0.436 ' CD1' HD13 ' A' ' 680' ' ' LEU . 48.3 p90 -168.85 154.96 6.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.943 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 636' ' ' ALA . . . . . . . . . . . . . . . -102.81 154.93 18.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.069 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 637' ' ' PHE . . . . . 0.488 ' O ' ' C ' ' A' ' 638' ' ' TYR . 11.2 t80 -105.99 156.97 17.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 638' ' ' TYR . . . . . 0.601 ' O ' ' CD2' ' A' ' 640' ' ' PHE . 67.3 t80 -30.76 102.71 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.911 -179.809 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 639' ' ' ASP . . . . . . . . . . . . . 34.8 t70 54.95 54.96 8.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.844 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 640' ' ' PHE . . . . . 0.601 ' CD2' ' O ' ' A' ' 638' ' ' TYR . 60.7 m-85 -143.24 148.56 36.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.881 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -64.32 147.75 51.83 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.915 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 642' ' ' LEU . . . . . 0.42 HD12 ' C ' ' A' ' 642' ' ' LEU . 0.6 OUTLIER -50.79 111.39 0.54 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.926 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 643' ' ' GLN . . . . . 0.414 ' N ' HD12 ' A' ' 642' ' ' LEU . 3.5 tp60 -84.98 118.17 24.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.938 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 644' ' ' THR . . . . . . . . . . . . . 3.3 m -94.32 117.66 30.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.125 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 645' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -71.85 159.78 84.49 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.552 0.691 . . . . 0.0 111.157 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 646' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 126.1 12.92 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.655 2.237 . . . . 0.0 112.349 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 647' ' ' VAL . . . . . . . . . . . . . 39.0 t -73.41 133.44 31.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.081 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 648' ' ' VAL . . . . . 0.449 HG11 ' N ' ' A' ' 649' ' ' ARG . 48.1 t -137.31 156.13 32.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.152 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 649' ' ' ARG . . . . . 0.449 ' N ' HG11 ' A' ' 648' ' ' VAL . 20.2 mtt180 -96.72 123.99 40.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 650' ' ' GLY . . . . . . . . . . . . . . . 147.05 -169.51 28.09 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.473 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 651' ' ' LEU . . . . . . . . . . . . . 8.5 mt -115.2 -46.47 2.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.856 0.36 . . . . 0.0 110.973 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 652' ' ' HIS . . . . . . . . . . . . . 7.9 m170 -118.13 57.29 2.68 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.593 0.711 . . . . 0.0 110.882 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 653' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 178.72 4.28 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.66 2.24 . . . . 0.0 112.353 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 654' ' ' GLU . . . . . 0.428 ' O ' ' C ' ' A' ' 655' ' ' TYR . 35.0 mt-10 -128.73 72.08 1.44 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 655' ' ' TYR . . . . . 0.428 ' C ' ' O ' ' A' ' 654' ' ' GLU . 85.0 m-85 -35.65 -46.81 0.44 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.927 -179.847 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 10.6 m-20 56.78 44.03 24.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.886 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 657' ' ' PHE . . . . . . . . . . . . . 16.6 t80 -97.7 109.42 22.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 1.8 m -124.01 94.89 4.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.168 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 1.9 m -97.22 152.6 18.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.845 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 82.0 mt-30 -135.9 131.08 34.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 661' ' ' TYR . . . . . . . . . . . . . 53.4 m-85 -146.73 133.35 19.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.964 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 662' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -80.58 110.97 16.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.93 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 663' ' ' VAL . . . . . . . . . . . . . 8.0 m -107.83 119.43 57.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.099 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 664' ' ' HIS . . . . . . . . . . . . . 1.8 p-80 -86.02 108.65 18.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.893 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 665' ' ' VAL . . . . . 0.402 ' CG2' ' H ' ' A' ' 666' ' ' ASN . 1.3 p -156.4 -177.58 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.122 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 666' ' ' ASN . . . . . 0.402 ' H ' ' CG2' ' A' ' 665' ' ' VAL . 0.7 OUTLIER -129.09 -174.81 3.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 667' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -44.02 -33.41 1.42 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.915 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -43.39 -36.43 1.93 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 669' ' ' PHE . . . . . 0.501 ' CD1' ' C ' ' A' ' 669' ' ' PHE . 3.2 t80 -50.58 -44.92 56.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.85 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 670' ' ' LEU . . . . . . . . . . . . . 80.9 mt -49.88 -46.42 51.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.932 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 671' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -53.68 -50.45 65.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.906 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 672' ' ' TYR . . . . . 0.408 ' CD1' ' C ' ' A' ' 672' ' ' TYR . 0.5 OUTLIER -45.79 -22.73 0.2 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.881 -179.801 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 673' ' ' ILE . . . . . 0.454 HG21 ' CG2' ' A' ' 703' ' ' ILE . 4.0 mm -75.38 -46.52 37.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.133 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 674' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -76.17 -42.27 47.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 675' ' ' LYS . . . . . . . . . . . . . 41.8 mmtt -63.37 -56.46 16.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 676' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -125.27 156.49 38.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.908 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 677' ' ' THR . . . . . 0.443 HG23 ' CB ' ' A' ' 699' ' ' LYS . 7.7 p -124.49 164.38 19.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.14 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 678' ' ' ILE . . . . . 0.477 ' O ' ' N ' ' A' ' 698' ' ' LEU . 4.8 mp -90.69 138.18 20.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.179 179.856 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 5.4 m -101.33 118.06 36.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.132 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 680' ' ' LEU . . . . . 0.436 HD13 ' CD1' ' A' ' 635' ' ' TYR . 7.7 tt -121.0 103.74 9.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 681' ' ' GLU . . . . . 0.463 ' OE1' ' N ' ' A' ' 681' ' ' GLU . 3.2 mp0 -102.37 142.64 33.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.837 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 682' ' ' VAL . . . . . . . . . . . . . 61.8 t -115.11 98.64 7.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.125 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 683' ' ' HIS . . . . . 0.635 ' NE2' ' CZ ' ' A' ' 632' ' ' PHE . 3.5 p-80 -97.83 153.48 18.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.828 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 684' ' ' GLN . . . . . . . . . . . . . 48.7 tt0 -98.97 125.01 44.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.959 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -94.46 113.67 25.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.117 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 686' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 -93.52 168.16 11.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 687' ' ' SER . . . . . . . . . . . . . 18.5 m -85.46 6.26 27.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.859 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 688' ' ' THR . . . . . . . . . . . . . 78.5 p -132.0 -47.4 0.93 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.132 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 689' ' ' GLU . . . . . 0.498 ' C ' ' CD1' ' A' ' 690' ' ' TYR . 2.1 pt-20 -133.26 -177.46 4.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 690' ' ' TYR . . . . . 0.498 ' CD1' ' C ' ' A' ' 689' ' ' GLU . 26.0 m-85 -147.23 120.35 8.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.893 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 691' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -146.19 145.49 30.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.884 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 692' ' ' THR . . . . . 0.4 ' HA ' ' CB ' ' A' ' 683' ' ' HIS . 1.0 OUTLIER -68.24 158.2 33.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.135 -179.926 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 693' ' ' ILE . . . . . 0.464 HG13 ' N ' ' A' ' 694' ' ' ALA . 34.0 pt -133.77 -33.7 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.113 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 694' ' ' ALA . . . . . 0.464 ' N ' HG13 ' A' ' 693' ' ' ILE . . . -139.82 152.84 46.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.103 179.841 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 695' ' ' ALA . . . . . . . . . . . . . . . -151.65 121.79 7.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.142 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 696' ' ' CYS . . . . . . . . . . . . . 15.1 p -136.11 176.07 9.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.929 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 697' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -127.66 119.53 26.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 698' ' ' LEU . . . . . 0.477 ' N ' ' O ' ' A' ' 678' ' ' ILE . 12.1 mt -73.46 121.53 20.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 699' ' ' LYS . . . . . 0.443 ' CB ' HG23 ' A' ' 677' ' ' THR . 10.4 ptpt -143.77 125.23 14.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 179.823 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 700' ' ' PHE . . . . . 0.546 ' CD2' ' CE1' ' A' ' 733' ' ' PHE . 1.4 m-85 -108.63 125.08 51.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.864 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 701' ' ' HIS . . . . . . . . . . . . . 53.1 m-70 -89.15 -46.8 8.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.85 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 702' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -53.43 -26.66 20.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.893 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 703' ' ' ILE . . . . . 0.454 ' CG2' HG21 ' A' ' 673' ' ' ILE . 5.8 tt -71.97 2.08 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.1 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 704' ' ' LEU . . . . . . . . . . . . . 59.4 mt -100.03 -19.7 16.4 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.92 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 705' ' ' GLU . . . . . 0.458 ' C ' ' OE1' ' A' ' 705' ' ' GLU . 0.0 OUTLIER -116.93 -33.44 4.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.848 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 706' ' ' LYS . . . . . . . . . . . . . 9.0 ptpp? -122.96 159.89 27.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 707' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -139.44 128.68 23.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 708' ' ' GLY . . . . . 0.457 ' O ' ' N ' ' A' ' 710' ' ' ILE . . . 125.94 -144.38 15.07 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.494 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 709' ' ' ARG . . . . . . . . . . . . . 51.6 mtt180 -55.96 84.62 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.819 0.343 . . . . 0.0 110.853 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 710' ' ' ILE . . . . . 0.457 ' N ' ' O ' ' A' ' 708' ' ' GLY . 20.2 mt -124.0 125.98 71.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.103 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 711' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -95.89 144.37 26.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.91 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 712' ' ' CYS . . . . . . . . . . . . . 7.1 t -162.54 169.43 20.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 713' ' ' THR . . . . . . . . . . . . . 19.3 p -142.88 167.59 21.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.117 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 714' ' ' ALA . . . . . . . . . . . . . . . -131.96 146.86 52.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.081 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 715' ' ' SER . . . . . . . . . . . . . 29.5 p -89.44 149.58 22.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.84 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 716' ' ' LEU . . . . . . . . . . . . . 24.4 mt -116.82 133.55 55.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.913 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 717' ' ' ILE . . . . . . . . . . . . . 3.7 mp -121.16 118.35 55.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.112 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 718' ' ' GLY . . . . . 0.507 ' CA ' ' CD2' ' A' ' 726' ' ' PHE . . . -51.47 168.63 0.51 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.521 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 719' ' ' THR . . . . . . . . . . . . . 75.5 p -112.87 -30.09 7.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.881 0.372 . . . . 0.0 111.159 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 720' ' ' LYS . . . . . . . . . . . . . 10.5 mttm -72.06 -65.31 0.79 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.878 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 721' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 722' ' ' ASP . . . -108.21 31.11 8.18 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.439 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 722' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 721' ' ' GLY . 27.3 t70 37.52 48.85 0.94 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.77 0.319 . . . . 0.0 110.83 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 723' ' ' ILE . . . . . 0.422 HG23 ' CD ' ' A' ' 619' ' ' GLU . 93.7 mt -69.45 113.38 16.52 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.606 0.717 . . . . 0.0 111.138 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 724' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -36.62 10.53 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.719 2.279 . . . . 0.0 112.343 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 725' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -91.72 36.96 0.96 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.848 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 726' ' ' PHE . . . . . 0.507 ' CD2' ' CA ' ' A' ' 718' ' ' GLY . 7.4 t80 -55.24 -35.14 64.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.855 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 727' ' ' GLY . . . . . . . . . . . . . . . 151.64 -167.91 31.0 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.533 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 728' ' ' THR . . . . . . . . . . . . . 3.2 m -143.3 144.74 32.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.805 0.336 . . . . 0.0 111.126 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 729' ' ' VAL . . . . . 0.523 HG12 ' CE2' ' A' ' 731' ' ' TYR . 12.0 p -107.64 140.55 25.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.174 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 12.4 mp0 -109.49 126.23 53.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.859 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 731' ' ' TYR . . . . . 0.523 ' CE2' HG12 ' A' ' 729' ' ' VAL . 1.3 p90 -159.94 164.17 33.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.947 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 732' ' ' TRP . . . . . 0.439 ' CZ3' ' HG2' ' A' ' 734' ' ' ARG . 18.1 p-90 -139.09 141.92 38.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.889 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 733' ' ' PHE . . . . . 0.546 ' CE1' ' CD2' ' A' ' 700' ' ' PHE . 30.4 p90 -124.64 157.37 35.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 734' ' ' ARG . . . . . 0.439 ' HG2' ' CZ3' ' A' ' 732' ' ' TRP . 8.1 ptm180 -154.56 121.32 5.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.866 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 735' ' ' LEU . . . . . 0.437 ' HB2' ' CD2' ' A' ' 607' ' ' PHE . 5.7 tp -130.53 107.33 9.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.94 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 736' ' ' ARG . . . . . 0.431 ' O ' ' C ' ' A' ' 737' ' ' VAL . 10.8 ttt180 -155.88 146.14 21.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.897 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 737' ' ' VAL . . . . . 0.431 ' C ' ' O ' ' A' ' 736' ' ' ARG . 7.1 p -35.44 133.47 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.153 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 738' ' ' SER . . . . . . . . . . . . . 40.6 t -104.82 137.38 42.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.834 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 739' ' ' GLY . . . . . . . . . . . . . . . -107.91 83.97 0.36 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.477 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 740' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -40.52 5.31 Favored 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.703 2.269 . . . . 0.0 112.342 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 9.1 m -64.67 -55.97 16.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.839 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 23.8 p -62.2 94.69 0.06 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.863 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 743' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.467 -179.976 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 588' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 589' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 589' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 588' ' ' GLY . 51.1 m -37.86 -56.16 1.13 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.929 0.395 . . . . 0.0 110.86 -179.74 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 590' ' ' SER . . . . . . . . . . . . . 6.3 t -166.15 150.71 8.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.847 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 591' ' ' GLY . . . . . . . . . . . . . . . -174.78 49.28 0.14 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.458 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 70.4 p -159.54 136.27 9.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.846 0.355 . . . . 0.0 110.913 -179.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 21.2 m -123.81 84.09 2.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 594' ' ' GLY . . . . . . . . . . . . . . . 130.24 -128.29 5.56 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.479 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 595' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -159.46 178.05 10.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.78 0.324 . . . . 0.0 110.869 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 596' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -149.79 109.68 4.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.833 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 597' ' ' THR . . . . . . . . . . . . . 80.4 p -144.33 142.4 30.38 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.107 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 598' ' ' ILE . . . . . . . . . . . . . 76.5 mt -85.01 -45.13 17.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.127 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 599' ' ' HIS . . . . . . . . . . . . . 23.0 t-80 -167.56 123.43 1.08 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.885 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 600' ' ' LEU . . . . . . . . . . . . . 7.0 mt -152.04 136.32 16.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 601' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -87.61 157.11 19.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.934 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 602' ' ' ARG . . . . . 0.434 ' HD2' ' N ' ' A' ' 602' ' ' ARG . 2.4 mpt_? -88.27 37.04 0.8 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.889 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 603' ' ' GLY . . . . . . . . . . . . . . . -104.88 176.45 22.88 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.487 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 604' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.68 150.89 35.25 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.823 0.344 . . . . 0.0 110.907 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 605' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -121.5 154.07 37.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 606' ' ' LEU . . . . . . . . . . . . . 37.6 tp -131.58 124.79 30.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 607' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -123.97 122.74 38.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 608' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -135.01 154.24 51.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.877 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 609' ' ' ILE . . . . . . . . . . . . . 40.8 mt -136.95 129.3 44.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.143 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 610' ' ' HIS . . . . . 0.538 ' HD1' ' N ' ' A' ' 611' ' ' ILE . 0.0 OUTLIER -125.62 127.45 46.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.857 179.896 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 611' ' ' ILE . . . . . 0.538 ' N ' ' HD1' ' A' ' 610' ' ' HIS . 46.4 mm -94.5 105.52 17.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.093 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 612' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 -59.7 -67.48 0.38 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 613' ' ' LYS . . . . . . . . . . . . . 2.8 ptpt -160.09 178.7 9.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 614' ' ' VAL . . . . . . . . . . . . . 72.0 t -130.76 114.29 27.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.166 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 615' ' ' THR . . . . . . . . . . . . . 37.9 m -87.99 150.21 23.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.132 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 616' ' ' PHE . . . . . 0.51 ' HB3' ' CG2' ' A' ' 620' ' ' VAL . 62.0 m-85 -128.35 162.92 25.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.919 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 617' ' ' SER . . . . . 0.489 ' O ' ' N ' ' A' ' 619' ' ' GLU . 8.0 t -107.84 150.22 27.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 -179.825 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 618' ' ' SER . . . . . . . . . . . . . 15.2 m -38.69 -26.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.853 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 619' ' ' GLU . . . . . 0.489 ' N ' ' O ' ' A' ' 617' ' ' SER . 6.9 mp0 -48.53 -58.42 4.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.903 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 620' ' ' VAL . . . . . 0.51 ' CG2' ' HB3' ' A' ' 616' ' ' PHE . 31.2 m -77.85 -35.77 21.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.145 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 621' ' ' LEU . . . . . 0.449 ' CD2' HD11 ' A' ' 651' ' ' LEU . 24.4 mt -56.28 -64.42 0.87 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.921 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 622' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -49.17 -57.96 5.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.931 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -44.74 -43.58 8.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.102 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 4.0 m -68.98 -50.93 44.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.828 -179.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 625' ' ' GLY . . . . . . . . . . . . . . . 95.85 -138.19 13.81 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.482 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 626' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -92.36 46.21 1.24 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.821 0.343 . . . . 0.0 110.836 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 43.6 mttm -122.45 160.43 25.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.87 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -109.67 91.48 10.53 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.694 0.759 . . . . 0.0 110.874 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 629' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 115.79 4.26 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.688 2.258 . . . . 0.0 112.338 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 630' ' ' VAL . . . . . 0.438 HG13 ' CG1' ' A' ' 647' ' ' VAL . 17.6 t -89.88 128.79 41.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.08 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 631' ' ' THR . . . . . 0.459 ' CG2' ' HG2' ' A' ' 684' ' ' GLN . 57.9 p -140.44 150.87 44.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.137 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 632' ' ' PHE . . . . . 0.602 ' CZ ' ' NE2' ' A' ' 683' ' ' HIS . 9.5 p90 -139.04 143.83 38.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 633' ' ' CYS . . . . . . . . . . . . . 85.7 m -98.15 143.24 28.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.837 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 634' ' ' THR . . . . . . . . . . . . . 13.3 p -145.49 130.29 18.14 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.123 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 635' ' ' TYR . . . . . 0.413 ' CD2' HD12 ' A' ' 680' ' ' LEU . 43.1 p90 -166.11 175.85 8.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.915 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 636' ' ' ALA . . . . . . . . . . . . . . . -128.57 144.83 51.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.066 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 637' ' ' PHE . . . . . . . . . . . . . 65.3 t80 -107.02 136.33 47.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.88 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 638' ' ' TYR . . . . . . . . . . . . . 2.8 t80 52.18 25.13 3.11 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.932 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 639' ' ' ASP . . . . . . . . . . . . . 7.4 t0 68.27 46.81 1.05 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.861 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 640' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -108.49 176.01 5.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -50.98 126.88 17.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.877 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 642' ' ' LEU . . . . . 0.401 HD12 ' CA ' ' A' ' 635' ' ' TYR . 10.0 tp -47.05 154.32 0.36 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 643' ' ' GLN . . . . . . . . . . . . . 17.2 mm-40 -122.53 110.11 15.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.926 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 644' ' ' THR . . . . . . . . . . . . . 55.9 m -82.69 121.28 26.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.118 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 645' ' ' THR . . . . . . . . . . . . . 20.5 p -83.92 154.43 64.34 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.53 0.681 . . . . 0.0 111.175 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 646' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 120.98 7.68 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.726 2.284 . . . . 0.0 112.331 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 647' ' ' VAL . . . . . 0.438 ' CG1' HG13 ' A' ' 630' ' ' VAL . 59.0 t -68.88 126.83 29.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.111 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 648' ' ' VAL . . . . . 0.45 HG12 ' N ' ' A' ' 649' ' ' ARG . 86.7 t -131.54 140.0 49.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.149 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 649' ' ' ARG . . . . . 0.45 ' N ' HG12 ' A' ' 648' ' ' VAL . 13.9 mtm-85 -84.93 150.77 24.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.916 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 650' ' ' GLY . . . . . . . . . . . . . . . 114.78 156.06 11.24 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.473 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 651' ' ' LEU . . . . . 0.452 HD22 ' N ' ' A' ' 651' ' ' LEU . 4.4 mm? -64.31 -54.97 24.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.848 0.356 . . . . 0.0 110.928 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 652' ' ' HIS . . . . . . . . . . . . . 15.3 m-70 -108.3 72.54 0.42 Allowed Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.535 0.683 . . . . 0.0 110.83 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 653' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 163.19 39.19 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.679 2.252 . . . . 0.0 112.332 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -118.57 80.15 1.49 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 655' ' ' TYR . . . . . . . . . . . . . 43.1 m-85 -51.5 -53.69 34.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.893 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 5.2 m120 58.14 40.13 25.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.903 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 657' ' ' PHE . . . . . . . . . . . . . 39.9 t80 -92.64 109.0 20.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 88.3 m -119.31 119.38 33.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.146 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 56.6 m -138.94 140.26 38.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.845 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -136.36 149.82 48.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.905 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 661' ' ' TYR . . . . . . . . . . . . . 78.6 m-85 -149.44 138.31 21.13 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.937 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 662' ' ' LEU . . . . . 0.405 ' C ' HD13 ' A' ' 662' ' ' LEU . 0.3 OUTLIER -72.54 105.64 4.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.926 179.95 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 663' ' ' VAL . . . . . . . . . . . . . 24.2 m -105.97 120.95 57.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.067 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 664' ' ' HIS . . . . . 0.406 ' O ' ' CG ' ' A' ' 664' ' ' HIS . 9.6 p80 -89.76 98.53 11.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.867 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 665' ' ' VAL . . . . . 0.426 HG22 ' N ' ' A' ' 666' ' ' ASN . 11.4 p -138.34 164.01 27.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.157 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 666' ' ' ASN . . . . . 0.426 ' N ' HG22 ' A' ' 665' ' ' VAL . 11.5 m120 -109.46 -175.01 2.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.921 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 667' ' ' ASP . . . . . 0.453 ' O ' ' C ' ' A' ' 668' ' ' LEU . 0.9 OUTLIER -40.17 -45.28 1.99 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.877 179.873 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 668' ' ' LEU . . . . . 0.453 ' C ' ' O ' ' A' ' 667' ' ' ASP . 11.1 mt -33.94 -39.69 0.07 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.914 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 669' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -45.82 -54.88 7.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 670' ' ' LEU . . . . . . . . . . . . . 37.1 mt -50.27 -43.04 53.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 671' ' ' GLN . . . . . . . . . . . . . 8.3 mm100 -54.49 -48.39 71.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 672' ' ' TYR . . . . . 0.484 ' CD1' ' C ' ' A' ' 672' ' ' TYR . 0.7 OUTLIER -47.9 -40.36 21.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.922 -179.859 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 673' ' ' ILE . . . . . . . . . . . . . 16.1 mt -63.23 -38.57 82.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.11 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 674' ' ' GLN . . . . . . . . . . . . . 8.2 mm-40 -78.95 -61.55 1.98 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.924 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 675' ' ' LYS . . . . . . . . . . . . . 45.4 mtpt -53.94 -57.47 10.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 676' ' ' ASN . . . . . . . . . . . . . 18.8 m-20 -111.01 173.07 6.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.925 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 37.6 p -139.65 164.7 29.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.115 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 678' ' ' ILE . . . . . . . . . . . . . 5.3 mp -87.5 139.36 17.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.145 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 20.4 m -109.57 125.57 52.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.152 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 680' ' ' LEU . . . . . 0.447 ' CB ' HD12 ' A' ' 698' ' ' LEU . 7.2 tt -134.78 102.09 5.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.902 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 681' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -98.96 128.91 45.22 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 682' ' ' VAL . . . . . . . . . . . . . 76.9 t -99.86 99.14 7.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.117 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 683' ' ' HIS . . . . . 0.602 ' NE2' ' CZ ' ' A' ' 632' ' ' PHE . 9.8 p-80 -93.11 162.49 14.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 684' ' ' GLN . . . . . 0.508 ' HB2' ' CE2' ' A' ' 686' ' ' TYR . 41.3 mt-30 -111.75 160.05 17.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -107.58 102.82 12.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.106 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 686' ' ' TYR . . . . . 0.508 ' CE2' ' HB2' ' A' ' 684' ' ' GLN . 0.1 OUTLIER -129.18 131.19 47.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.94 -179.822 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 687' ' ' SER . . . . . 0.495 ' O ' ' CG2' ' A' ' 688' ' ' THR . 1.8 m 45.48 53.24 8.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.901 -179.816 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 688' ' ' THR . . . . . 0.495 ' CG2' ' O ' ' A' ' 687' ' ' SER . 14.8 t 46.05 26.13 0.39 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.106 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 689' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -113.69 147.83 37.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.877 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 690' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -128.67 116.98 20.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.932 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 691' ' ' GLU . . . . . 0.429 ' O ' ' C ' ' A' ' 692' ' ' THR . 41.8 tt0 -147.21 105.0 3.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.895 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 692' ' ' THR . . . . . 0.429 ' C ' ' O ' ' A' ' 691' ' ' GLU . 96.5 m -33.8 135.74 0.13 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.11 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 693' ' ' ILE . . . . . 0.474 HD12 ' CB ' ' A' ' 694' ' ' ALA . 2.6 pp -128.76 -28.9 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.165 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 694' ' ' ALA . . . . . 0.474 ' CB ' HD12 ' A' ' 693' ' ' ILE . . . -130.92 132.03 44.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.16 179.771 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 695' ' ' ALA . . . . . . . . . . . . . . . -135.46 144.18 46.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.108 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 696' ' ' CYS . . . . . . . . . . . . . 30.6 p -151.45 160.8 43.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 697' ' ' GLN . . . . . 0.4 ' N ' ' CD ' ' A' ' 697' ' ' GLN . 7.1 mp0 -109.05 122.16 46.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 -179.838 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 698' ' ' LEU . . . . . 0.572 HD23 ' CE2' ' A' ' 731' ' ' TYR . 29.8 mt -93.58 123.63 37.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 699' ' ' LYS . . . . . . . . . . . . . 8.6 ptpt -150.21 132.98 15.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.891 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 700' ' ' PHE . . . . . 0.641 ' CD1' ' CE1' ' A' ' 733' ' ' PHE . 5.6 m-85 -109.81 125.6 52.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.884 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 701' ' ' HIS . . . . . . . . . . . . . 35.0 m-70 -88.84 -67.83 0.81 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.856 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 702' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 706' ' ' LYS . 81.4 mm-40 -45.74 -30.9 1.77 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 703' ' ' ILE . . . . . 0.433 ' CG2' ' N ' ' A' ' 704' ' ' LEU . 0.0 OUTLIER -47.86 -39.61 7.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.079 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 704' ' ' LEU . . . . . 0.433 ' N ' ' CG2' ' A' ' 703' ' ' ILE . 21.0 mt -60.71 -43.52 97.73 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.939 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 705' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -89.38 -65.05 1.05 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.884 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 706' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 702' ' ' GLU . 19.4 mttm -82.77 175.12 10.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.936 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 707' ' ' SER . . . . . . . . . . . . . 89.5 p -169.96 105.03 0.32 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.89 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 708' ' ' GLY . . . . . . . . . . . . . . . 160.28 80.81 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.465 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 709' ' ' ARG . . . . . . . . . . . . . 49.1 mtt85 44.45 54.81 6.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.781 0.324 . . . . 0.0 110.848 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 710' ' ' ILE . . . . . . . . . . . . . 16.6 mt -72.18 82.89 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.116 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 711' ' ' PHE . . . . . . . . . . . . . 79.3 m-85 -37.24 131.49 0.83 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.913 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 712' ' ' CYS . . . . . . . . . . . . . 65.6 m -154.71 178.39 10.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.829 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 713' ' ' THR . . . . . . . . . . . . . 38.2 p -150.64 163.22 39.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.126 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 714' ' ' ALA . . . . . . . . . . . . . . . -135.26 160.75 37.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.123 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 715' ' ' SER . . . . . . . . . . . . . 28.9 t -100.23 139.24 36.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.845 -179.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 716' ' ' LEU . . . . . . . . . . . . . 13.7 mt -111.37 138.87 47.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.933 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 717' ' ' ILE . . . . . . . . . . . . . 4.4 mp -127.77 144.75 36.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.133 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 718' ' ' GLY . . . . . . . . . . . . . . . -90.77 160.72 27.78 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.452 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 719' ' ' THR . . . . . . . . . . . . . 24.6 p -106.3 -41.31 5.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.853 0.358 . . . . 0.0 111.123 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 720' ' ' LYS . . . . . . . . . . . . . 7.2 mmpt? -55.92 -47.18 77.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 721' ' ' GLY . . . . . 0.444 ' O ' ' C ' ' A' ' 722' ' ' ASP . . . -124.17 30.98 4.62 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.493 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 722' ' ' ASP . . . . . 0.445 ' CG ' ' O ' ' A' ' 722' ' ' ASP . 18.0 t70 34.39 41.8 0.06 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.814 0.34 . . . . 0.0 110.837 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 723' ' ' ILE . . . . . . . . . . . . . 76.4 mt -67.87 111.67 8.34 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.593 0.711 . . . . 0.0 111.119 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 724' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -50.86 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.643 2.229 . . . . 0.0 112.333 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 725' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -86.14 50.42 1.98 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.891 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 726' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -59.0 -42.5 90.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 727' ' ' GLY . . . . . . . . . . . . . . . 155.79 175.94 27.37 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.485 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 728' ' ' THR . . . . . . . . . . . . . 6.3 m -117.85 145.9 44.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.763 0.316 . . . . 0.0 111.169 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 729' ' ' VAL . . . . . . . . . . . . . 7.1 p -108.77 140.45 27.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.119 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -108.67 117.75 35.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.918 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 731' ' ' TYR . . . . . 0.572 ' CE2' HD23 ' A' ' 698' ' ' LEU . 0.5 OUTLIER -160.8 159.16 29.62 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.931 -179.817 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 732' ' ' TRP . . . . . . . . . . . . . 69.6 p-90 -131.95 175.05 9.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.917 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 733' ' ' PHE . . . . . 0.641 ' CE1' ' CD1' ' A' ' 700' ' ' PHE . 15.2 p90 -152.37 151.0 30.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.828 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 734' ' ' ARG . . . . . . . . . . . . . 16.0 ttp180 -146.58 139.03 25.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.84 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 735' ' ' LEU . . . . . . . . . . . . . 43.6 tp -139.97 105.12 5.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.942 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 736' ' ' ARG . . . . . . . . . . . . . 9.6 mmm180 -149.05 166.7 27.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.856 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 737' ' ' VAL . . . . . . . . . . . . . 7.1 p -71.26 113.58 7.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.128 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 738' ' ' SER . . . . . . . . . . . . . 15.9 t -44.73 124.92 4.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 739' ' ' GLY . . . . . . . . . . . . . . . -89.62 141.42 16.12 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.475 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 740' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 2.91 3.14 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.738 2.292 . . . . 0.0 112.324 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 60.1 p -81.8 95.82 7.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.829 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 34.1 p -68.92 -56.02 9.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.852 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 743' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.51 -179.965 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 588' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 35.1 m -132.75 165.32 24.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.854 0.359 . . . . 0.0 110.846 -179.719 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 590' ' ' SER . . . . . . . . . . . . . 1.4 t -147.36 143.87 28.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.859 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 591' ' ' GLY . . . . . . . . . . . . . . . -135.21 102.09 0.42 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.501 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 13.4 t -168.36 129.55 1.33 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.858 0.361 . . . . 0.0 110.862 -179.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 11.1 t -173.85 154.28 2.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.89 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 594' ' ' GLY . . . . . . . . . . . . . . . -45.75 -40.43 9.11 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.452 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 595' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -151.0 -179.76 7.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.788 0.328 . . . . 0.0 110.846 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 596' ' ' GLU . . . . . 0.436 ' O ' ' C ' ' A' ' 597' ' ' THR . 51.7 mp0 -155.63 114.19 3.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 597' ' ' THR . . . . . 0.476 ' HB ' ' CE1' ' A' ' 599' ' ' HIS . 26.4 p -34.44 119.7 0.44 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.18 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 598' ' ' ILE . . . . . . . . . . . . . 9.6 mt -110.7 45.63 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.129 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 599' ' ' HIS . . . . . 0.476 ' CE1' ' HB ' ' A' ' 597' ' ' THR . 5.3 p-80 -132.54 48.68 2.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 600' ' ' LEU . . . . . . . . . . . . . 15.9 mt -148.43 178.21 8.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.94 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 601' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -86.71 162.11 18.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 602' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? -86.45 91.17 8.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 603' ' ' GLY . . . . . . . . . . . . . . . 179.97 167.92 37.86 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.5 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 604' ' ' GLU . . . . . 0.475 ' CG ' HD11 ' A' ' 662' ' ' LEU . 2.3 tp10 -51.84 174.16 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.86 0.362 . . . . 0.0 110.893 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 605' ' ' ASN . . . . . 0.497 ' ND2' ' O ' ' A' ' 663' ' ' VAL . 1.3 p-10 -113.68 146.75 39.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 606' ' ' LEU . . . . . . . . . . . . . 12.0 tp -136.56 142.89 43.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 607' ' ' PHE . . . . . . . . . . . . . 11.2 t80 -138.51 144.52 40.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 608' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -156.68 142.47 17.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.866 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 609' ' ' ILE . . . . . . . . . . . . . 5.3 mp -120.94 123.11 69.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.122 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 610' ' ' HIS . . . . . 0.516 ' HB3' ' CE2' ' A' ' 732' ' ' TRP . 61.8 t60 -99.65 140.48 33.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.829 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 50.9 mm -118.35 97.62 5.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.131 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 612' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -60.26 -67.72 0.36 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.92 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 613' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -159.85 176.89 11.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.898 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 614' ' ' VAL . . . . . . . . . . . . . 66.4 t -129.04 123.71 59.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.105 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 615' ' ' THR . . . . . . . . . . . . . 44.3 m -94.5 146.59 23.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.088 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 616' ' ' PHE . . . . . 0.497 ' HB3' ' CG2' ' A' ' 620' ' ' VAL . 33.2 m-85 -123.73 161.96 24.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 2.9 t -100.42 153.44 19.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.875 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 618' ' ' SER . . . . . . . . . . . . . 48.0 t -49.52 -21.27 0.91 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.897 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 619' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -58.2 -51.43 69.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.894 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 620' ' ' VAL . . . . . 0.497 ' CG2' ' HB3' ' A' ' 616' ' ' PHE . 30.1 m -77.72 -21.25 13.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.139 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 621' ' ' LEU . . . . . . . . . . . . . 21.0 mt -66.97 -61.88 1.71 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.947 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 622' ' ' GLN . . . . . . . . . . . . . 72.5 mt-30 -57.27 -52.76 64.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.916 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -44.64 -47.48 10.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.074 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 13.2 t -62.5 -46.98 85.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.852 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 625' ' ' GLY . . . . . . . . . . . . . . . 103.51 -155.84 17.85 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.484 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 626' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -83.64 45.73 1.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.918 0.39 . . . . 0.0 110.863 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 9.9 ptpt -132.61 169.04 17.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.93 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 18.3 mp0 -115.61 92.76 34.62 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.648 0.737 . . . . 0.0 110.917 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 629' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 110.95 2.69 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.689 2.259 . . . . 0.0 112.342 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 630' ' ' VAL . . . . . 0.467 HG11 ' CG1' ' A' ' 647' ' ' VAL . 14.6 t -79.91 134.74 26.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.117 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 631' ' ' THR . . . . . . . . . . . . . 71.8 p -153.34 160.88 42.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.087 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 632' ' ' PHE . . . . . 0.49 ' CE2' ' NE2' ' A' ' 683' ' ' HIS . 41.3 p90 -146.46 161.04 41.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.912 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 633' ' ' CYS . . . . . . . . . . . . . 99.0 m -94.65 157.22 16.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 634' ' ' THR . . . . . . . . . . . . . 12.8 p -154.2 138.26 16.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.151 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 635' ' ' TYR . . . . . . . . . . . . . 44.2 p90 -174.37 159.72 3.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.881 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 636' ' ' ALA . . . . . . . . . . . . . . . -112.42 161.48 16.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.079 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 637' ' ' PHE . . . . . 0.443 ' O ' ' C ' ' A' ' 638' ' ' TYR . 3.4 t80 -106.93 154.06 21.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 638' ' ' TYR . . . . . 0.547 ' O ' ' CD2' ' A' ' 640' ' ' PHE . 2.2 t80 -34.43 99.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.935 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 639' ' ' ASP . . . . . . . . . . . . . 3.3 t70 63.33 54.69 1.96 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.862 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 640' ' ' PHE . . . . . 0.547 ' CD2' ' O ' ' A' ' 638' ' ' TYR . 87.4 m-85 -147.68 143.07 27.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -48.59 168.38 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.886 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 642' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -79.4 113.55 17.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 643' ' ' GLN . . . . . . . . . . . . . 13.6 mm-40 -79.35 138.34 37.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.927 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 644' ' ' THR . . . . . . . . . . . . . 60.3 m -118.72 128.77 54.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.128 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 645' ' ' THR . . . . . . . . . . . . . 10.8 p -87.92 155.91 52.55 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.571 0.701 . . . . 0.0 111.131 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 646' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 123.57 10.22 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.683 2.255 . . . . 0.0 112.308 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 647' ' ' VAL . . . . . 0.467 ' CG1' HG11 ' A' ' 630' ' ' VAL . 25.0 t -68.73 134.69 29.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.14 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 648' ' ' VAL . . . . . 0.411 HG23 ' C ' ' A' ' 647' ' ' VAL . 42.0 t -136.82 142.44 37.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.092 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 649' ' ' ARG . . . . . . . . . . . . . 31.5 mtt85 -84.85 141.46 30.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.875 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 650' ' ' GLY . . . . . . . . . . . . . . . 123.21 158.36 10.16 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.508 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 651' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -70.68 -47.81 57.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.859 0.361 . . . . 0.0 110.903 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 652' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -115.97 67.93 3.2 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.585 0.707 . . . . 0.0 110.873 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 653' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 161.95 43.93 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.727 2.285 . . . . 0.0 112.352 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -120.02 105.37 10.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.916 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 655' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 -85.86 -58.99 2.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.927 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 656' ' ' ASN . . . . . 0.452 ' HA ' ' CE1' ' A' ' 610' ' ' HIS . 15.1 m-80 63.92 29.57 14.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.862 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 657' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -101.39 139.68 36.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 12.7 t -135.21 147.22 49.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.119 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 29.9 t -105.15 136.97 43.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -126.41 132.67 51.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.866 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 661' ' ' TYR . . . . . . . . . . . . . 27.5 m-85 -148.98 133.06 17.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.899 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 662' ' ' LEU . . . . . 0.475 HD11 ' CG ' ' A' ' 604' ' ' GLU . 0.3 OUTLIER -72.53 102.57 3.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.901 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 663' ' ' VAL . . . . . 0.497 ' O ' ' ND2' ' A' ' 605' ' ' ASN . 3.3 m -96.09 140.35 17.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.101 179.839 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 664' ' ' HIS . . . . . . . . . . . . . 5.7 p80 -125.73 101.3 6.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.884 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 665' ' ' VAL . . . . . 0.442 HG21 ' CD2' ' A' ' 669' ' ' PHE . 0.0 OUTLIER -162.13 173.18 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.095 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 666' ' ' ASN . . . . . . . . . . . . . 68.4 m-80 -131.44 -70.42 0.59 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 667' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -90.39 -53.13 4.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.817 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 10.9 mp -43.3 -25.42 0.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.901 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 669' ' ' PHE . . . . . 0.442 ' CD2' HG21 ' A' ' 665' ' ' VAL . 0.7 OUTLIER -61.09 -60.5 3.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 670' ' ' LEU . . . . . . . . . . . . . 85.6 mt -64.4 -51.35 63.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.932 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 671' ' ' GLN . . . . . . . . . . . . . 8.7 mm-40 -49.23 -27.55 3.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 672' ' ' TYR . . . . . 0.494 ' CD1' ' C ' ' A' ' 672' ' ' TYR . 1.7 t80 -73.35 -47.25 43.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.922 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 673' ' ' ILE . . . . . . . . . . . . . 87.5 mt -70.15 -21.74 23.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.134 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 674' ' ' GLN . . . . . . . . . . . . . 8.5 mm-40 -87.61 -55.97 3.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.938 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 675' ' ' LYS . . . . . . . . . . . . . 35.9 mtpt -59.88 -70.1 0.18 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 676' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -103.01 177.76 4.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 677' ' ' THR . . . . . 0.413 ' CG2' ' HB3' ' A' ' 699' ' ' LYS . 20.3 p -135.83 -178.97 5.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.139 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 678' ' ' ILE . . . . . . . . . . . . . 18.9 mt -93.13 145.65 7.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.102 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 25.4 m -117.73 104.55 11.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.147 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 680' ' ' LEU . . . . . . . . . . . . . 7.2 tt -111.96 102.19 10.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.93 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 681' ' ' GLU . . . . . 0.421 ' OE1' ' N ' ' A' ' 681' ' ' GLU . 2.0 mp0 -101.69 134.78 44.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 682' ' ' VAL . . . . . . . . . . . . . 86.7 t -103.93 100.06 9.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.133 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 683' ' ' HIS . . . . . 0.49 ' NE2' ' CE2' ' A' ' 632' ' ' PHE . 0.3 OUTLIER -95.83 154.87 17.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.842 179.935 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 684' ' ' GLN . . . . . . . . . . . . . 28.5 tt0 -87.25 159.16 18.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -122.54 102.78 8.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.068 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 686' ' ' TYR . . . . . 0.434 ' O ' ' C ' ' A' ' 687' ' ' SER . 74.7 m-85 -86.32 150.87 24.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.889 -179.845 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 687' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 686' ' ' TYR . 0.3 OUTLIER -34.05 -63.46 0.27 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.866 -179.844 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 688' ' ' THR . . . . . . . . . . . . . 10.2 t -119.99 22.32 11.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.135 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 689' ' ' GLU . . . . . 0.471 ' C ' ' CD1' ' A' ' 690' ' ' TYR . 7.1 mp0 -141.45 163.4 33.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 690' ' ' TYR . . . . . 0.471 ' CD1' ' C ' ' A' ' 689' ' ' GLU . 42.4 m-85 -154.26 120.18 5.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.906 -179.841 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 691' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -145.72 153.79 41.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.841 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 692' ' ' THR . . . . . 0.437 ' HA ' ' CB ' ' A' ' 683' ' ' HIS . 5.3 m -81.29 151.16 28.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.118 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 693' ' ' ILE . . . . . . . . . . . . . 30.2 pt -130.21 -31.09 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.155 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -135.66 160.66 37.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.089 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 695' ' ' ALA . . . . . . . . . . . . . . . -157.28 123.56 4.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.135 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 696' ' ' CYS . . . . . . . . . . . . . 3.7 p -141.65 158.08 44.27 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.936 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 697' ' ' GLN . . . . . . . . . . . . . 21.0 mp0 -112.66 130.0 56.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 698' ' ' LEU . . . . . . . . . . . . . 14.0 mt -94.67 135.48 36.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.943 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 699' ' ' LYS . . . . . 0.413 ' HB3' ' CG2' ' A' ' 677' ' ' THR . 2.5 pttt -152.73 125.25 8.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 700' ' ' PHE . . . . . 0.536 ' CD1' ' CD1' ' A' ' 733' ' ' PHE . 3.5 m-85 -94.06 125.3 38.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.915 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 701' ' ' HIS . . . . . . . . . . . . . 48.3 m-70 -89.05 -66.1 0.95 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.891 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 702' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -47.91 -31.5 5.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 703' ' ' ILE . . . . . 0.472 ' CG2' HD22 ' A' ' 704' ' ' LEU . 0.0 OUTLIER -47.94 -29.62 2.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.174 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 704' ' ' LEU . . . . . 0.472 HD22 ' CG2' ' A' ' 703' ' ' ILE . 4.5 mm? -72.71 -44.5 61.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.904 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 705' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -83.73 -64.91 1.08 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.843 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 706' ' ' LYS . . . . . . . . . . . . . 12.9 mttm -82.62 172.68 12.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 707' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -147.42 126.6 12.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.858 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 708' ' ' GLY . . . . . 0.419 ' C ' ' HG2' ' A' ' 734' ' ' ARG . . . 124.43 -147.71 16.6 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.492 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 709' ' ' ARG . . . . . 0.475 ' N ' ' HG2' ' A' ' 734' ' ' ARG . 24.6 ttm180 -66.46 103.88 1.13 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.836 0.35 . . . . 0.0 110.811 -179.831 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 710' ' ' ILE . . . . . 0.441 ' HB ' ' CZ ' ' A' ' 733' ' ' PHE . 53.8 mt -124.79 110.53 25.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.131 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 711' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -66.73 136.06 54.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 712' ' ' CYS . . . . . . . . . . . . . 2.2 m -162.17 165.9 26.32 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 713' ' ' THR . . . . . . . . . . . . . 53.0 p -148.15 164.43 33.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.153 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 714' ' ' ALA . . . . . . . . . . . . . . . -133.57 145.36 50.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.032 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 715' ' ' SER . . . . . . . . . . . . . 78.5 p -89.02 145.84 25.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.894 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 716' ' ' LEU . . . . . . . . . . . . . 16.5 mt -111.6 143.51 42.36 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.874 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 717' ' ' ILE . . . . . . . . . . . . . 5.3 mp -132.78 136.59 55.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.128 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 718' ' ' GLY . . . . . . . . . . . . . . . -67.62 153.57 52.92 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.48 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 719' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -87.06 -34.17 19.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.891 0.377 . . . . 0.0 111.152 -179.851 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 720' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -117.67 -49.81 2.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.938 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 721' ' ' GLY . . . . . . . . . . . . . . . -58.94 -12.82 16.51 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.459 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 722' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 49.22 50.82 17.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.809 0.337 . . . . 0.0 110.878 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 723' ' ' ILE . . . . . . . . . . . . . 17.7 mt -106.67 106.65 58.44 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.59 0.709 . . . . 0.0 111.123 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 724' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -30.52 22.2 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.654 2.236 . . . . 0.0 112.404 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 725' ' ' ASN . . . . . . . . . . . . . 88.8 m-20 -97.61 32.89 2.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 726' ' ' PHE . . . . . . . . . . . . . 14.5 t80 -51.67 -37.47 50.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.921 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 727' ' ' GLY . . . . . . . . . . . . . . . 157.68 171.38 23.58 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.49 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 728' ' ' THR . . . . . . . . . . . . . 3.4 m -117.61 147.71 42.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.818 0.342 . . . . 0.0 111.144 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 729' ' ' VAL . . . . . . . . . . . . . 10.8 p -110.78 132.93 57.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.128 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -105.11 134.33 48.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 731' ' ' TYR . . . . . . . . . . . . . 13.1 p90 -164.54 164.86 21.64 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.949 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 732' ' ' TRP . . . . . 0.516 ' CE2' ' HB3' ' A' ' 610' ' ' HIS . 57.0 p-90 -144.22 128.91 18.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.926 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 733' ' ' PHE . . . . . 0.536 ' CD1' ' CD1' ' A' ' 700' ' ' PHE . 11.8 p90 -108.03 162.23 14.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.883 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 734' ' ' ARG . . . . . 0.475 ' HG2' ' N ' ' A' ' 709' ' ' ARG . 13.9 mtp-105 -157.53 130.58 7.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.919 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 735' ' ' LEU . . . . . . . . . . . . . 16.4 tp -115.08 105.15 12.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.903 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 736' ' ' ARG . . . . . . . . . . . . . 21.0 ttt180 -137.29 156.64 48.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 737' ' ' VAL . . . . . 0.457 HG22 ' N ' ' A' ' 738' ' ' SER . 15.0 p -55.6 160.12 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.126 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 738' ' ' SER . . . . . 0.457 ' N ' HG22 ' A' ' 737' ' ' VAL . 1.5 t -166.11 118.66 1.07 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 -179.836 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 739' ' ' GLY . . . . . . . . . . . . . . . 161.17 95.36 0.11 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.516 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 740' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 -14.76 36.33 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.65 2.233 . . . . 0.0 112.37 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 23.8 t -165.44 141.07 5.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.807 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 59.8 p -113.51 134.48 54.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.8 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 743' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.465 179.983 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 588' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.484 -0.247 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 66.5 p -160.2 125.23 3.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.896 0.379 . . . . 0.0 110.865 -179.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 590' ' ' SER . . . . . . . . . . . . . 5.4 t -153.76 146.29 24.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.847 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 591' ' ' GLY . . . . . . . . . . . . . . . 170.61 177.38 40.62 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.526 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 74.7 m -160.45 127.51 4.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.871 0.367 . . . . 0.0 110.854 -179.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 95.3 p -140.35 147.83 40.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.849 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 594' ' ' GLY . . . . . . . . . . . . . . . -46.37 -90.37 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.482 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 595' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -122.91 123.3 40.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.813 0.339 . . . . 0.0 110.87 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 596' ' ' GLU . . . . . . . . . . . . . 38.1 mm-40 -143.9 128.82 18.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 597' ' ' THR . . . . . . . . . . . . . 7.7 t -152.36 153.92 34.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.161 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 598' ' ' ILE . . . . . 0.451 ' O ' ' C ' ' A' ' 599' ' ' HIS . 5.3 mp -65.39 116.21 4.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.114 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 599' ' ' HIS . . . . . 0.451 ' C ' ' O ' ' A' ' 598' ' ' ILE . 25.0 m-70 -34.45 114.41 0.21 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.907 179.845 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 600' ' ' LEU . . . . . . . . . . . . . 6.8 mp -74.31 170.37 15.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.872 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 601' ' ' GLU . . . . . . . . . . . . . 13.0 mp0 -78.8 175.84 10.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.847 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 602' ' ' ARG . . . . . . . . . . . . . 26.1 mmm180 -98.81 -54.21 3.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.885 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 603' ' ' GLY . . . . . . . . . . . . . . . -168.55 67.8 0.17 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.516 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 604' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -105.78 167.62 9.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.882 0.372 . . . . 0.0 110.853 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 605' ' ' ASN . . . . . . . . . . . . . 44.8 m-80 -167.79 144.05 4.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.895 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 606' ' ' LEU . . . . . 0.422 HD23 ' CD ' ' A' ' 608' ' ' GLU . 4.5 tp -124.92 142.49 51.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 607' ' ' PHE . . . . . . . . . . . . . 7.1 t80 -124.86 111.51 15.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 608' ' ' GLU . . . . . 0.422 ' CD ' HD23 ' A' ' 606' ' ' LEU . 1.9 mp0 -106.14 145.44 31.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.874 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 609' ' ' ILE . . . . . . . . . . . . . 58.8 mt -145.07 105.61 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.129 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 610' ' ' HIS . . . . . 0.403 ' CD2' ' C ' ' A' ' 610' ' ' HIS . 1.3 t60 -120.76 137.44 54.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.855 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 20.2 mm -103.25 119.01 51.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.14 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 612' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -71.43 -68.07 0.47 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.887 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 613' ' ' LYS . . . . . . . . . . . . . 4.9 pttm -164.28 172.47 13.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 614' ' ' VAL . . . . . . . . . . . . . 60.6 t -120.35 114.79 45.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.161 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 615' ' ' THR . . . . . . . . . . . . . 79.4 m -87.09 137.51 32.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.11 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 616' ' ' PHE . . . . . 0.474 ' CD1' HG12 ' A' ' 620' ' ' VAL . 35.7 m-85 -106.89 163.66 12.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.861 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 617' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 618' ' ' SER . 1.0 OUTLIER -108.0 158.44 17.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.836 -179.795 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 618' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 617' ' ' SER . 71.9 p -36.11 -58.99 0.64 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.85 -179.823 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 619' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -42.52 -47.57 5.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.886 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 620' ' ' VAL . . . . . 0.474 HG12 ' CD1' ' A' ' 616' ' ' PHE . 4.9 t -72.0 -36.93 59.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.157 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 621' ' ' LEU . . . . . 0.452 ' CD2' HD11 ' A' ' 651' ' ' LEU . 41.3 mt -67.12 -65.56 0.67 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 622' ' ' GLN . . . . . . . . . . . . . 59.5 mt-30 -52.07 -41.97 62.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -43.74 -45.05 6.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.082 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 38.1 m -87.73 -48.38 7.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.887 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 625' ' ' GLY . . . . . . . . . . . . . . . 98.74 -130.22 10.15 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.508 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 626' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -85.15 36.73 0.64 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.858 0.361 . . . . 0.0 110.86 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 15.2 mmmt -123.79 162.38 23.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.943 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -112.45 116.03 48.88 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.674 0.749 . . . . 0.0 110.879 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 629' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 126.59 13.47 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.67 2.247 . . . . 0.0 112.32 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 630' ' ' VAL . . . . . . . . . . . . . 6.5 t -106.7 112.11 38.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.12 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 631' ' ' THR . . . . . . . . . . . . . 30.8 p -143.83 160.69 40.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.16 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 632' ' ' PHE . . . . . 0.651 ' CE2' ' NE2' ' A' ' 683' ' ' HIS . 4.3 p90 -134.39 147.09 50.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.93 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 633' ' ' CYS . . . . . 0.498 ' O ' ' CG2' ' A' ' 645' ' ' THR . 0.6 OUTLIER -104.83 166.14 10.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.897 -179.899 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 634' ' ' THR . . . . . . . . . . . . . 65.7 p -153.68 144.66 22.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.119 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 635' ' ' TYR . . . . . . . . . . . . . 50.3 p90 -175.06 139.27 0.47 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.941 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 636' ' ' ALA . . . . . 0.464 ' CB ' HD11 ' A' ' 642' ' ' LEU . . . -107.36 148.17 29.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.147 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 637' ' ' PHE . . . . . 0.403 ' CE2' ' HB2' ' A' ' 638' ' ' TYR . 36.6 t80 -111.06 143.61 41.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.95 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 638' ' ' TYR . . . . . 0.512 ' HB3' ' CE2' ' A' ' 640' ' ' PHE . 4.9 t80 44.86 39.52 3.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.934 -179.835 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 639' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 54.43 48.63 20.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.909 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 640' ' ' PHE . . . . . 0.512 ' CE2' ' HB3' ' A' ' 638' ' ' TYR . 13.9 m-85 -103.58 176.09 5.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -57.77 117.74 4.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.887 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 642' ' ' LEU . . . . . 0.464 HD11 ' CB ' ' A' ' 636' ' ' ALA . 2.5 tp -61.21 137.12 58.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.926 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 643' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -117.66 123.03 45.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.915 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 644' ' ' THR . . . . . . . . . . . . . 59.7 m -77.32 111.94 13.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.175 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 645' ' ' THR . . . . . 0.498 ' CG2' ' O ' ' A' ' 633' ' ' CYS . 52.5 p -51.75 150.85 6.73 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.602 0.715 . . . . 0.0 111.137 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 646' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 124.0 10.65 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.723 2.282 . . . . 0.0 112.303 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 647' ' ' VAL . . . . . . . . . . . . . 39.7 t -68.92 134.59 29.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.138 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 99.0 t -143.26 134.52 23.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.171 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 649' ' ' ARG . . . . . . . . . . . . . 7.7 ptt-85 -89.79 120.65 31.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.926 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 650' ' ' GLY . . . . . . . . . . . . . . . 159.08 169.41 22.39 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.462 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 651' ' ' LEU . . . . . 0.452 HD11 ' CD2' ' A' ' 621' ' ' LEU . 4.3 mm? -80.61 -61.09 2.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.832 0.348 . . . . 0.0 110.914 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 652' ' ' HIS . . . . . . . . . . . . . 6.5 m-70 -114.1 66.65 1.51 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.64 0.733 . . . . 0.0 110.837 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 653' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 169.95 17.72 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.682 2.254 . . . . 0.0 112.34 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 654' ' ' GLU . . . . . 0.409 ' O ' ' C ' ' A' ' 655' ' ' TYR . 5.2 mm-40 -125.35 77.29 1.63 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 655' ' ' TYR . . . . . 0.409 ' C ' ' O ' ' A' ' 654' ' ' GLU . 69.4 m-85 -36.83 -44.65 0.5 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.928 -179.847 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 4.8 m120 55.05 44.99 27.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.919 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 657' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -104.32 104.93 14.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.899 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 5.3 m -108.95 135.33 50.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.164 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 46.5 p -124.28 144.05 50.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.828 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 56.2 mt-30 -143.17 124.54 14.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.908 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 661' ' ' TYR . . . . . . . . . . . . . 91.8 m-85 -147.06 123.73 11.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.896 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 662' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -73.22 101.59 3.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.942 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 663' ' ' VAL . . . . . . . . . . . . . 29.6 m -104.13 116.9 48.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.124 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 664' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -83.32 99.74 10.21 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.831 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 665' ' ' VAL . . . . . 0.443 ' CG2' ' HB2' ' A' ' 669' ' ' PHE . 7.3 p -145.69 166.75 9.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.111 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 666' ' ' ASN . . . . . . . . . . . . . 12.8 m-80 -113.49 -174.97 2.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.913 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 667' ' ' ASP . . . . . 0.416 ' O ' ' C ' ' A' ' 668' ' ' LEU . 4.0 t70 -41.47 -44.12 2.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 668' ' ' LEU . . . . . 0.416 ' C ' ' O ' ' A' ' 667' ' ' ASP . 33.4 mt -35.51 -38.28 0.11 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 669' ' ' PHE . . . . . 0.443 ' HB2' ' CG2' ' A' ' 665' ' ' VAL . 7.0 t80 -50.52 -51.59 46.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.846 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 670' ' ' LEU . . . . . . . . . . . . . 61.7 mt -42.43 -40.94 2.73 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 671' ' ' GLN . . . . . . . . . . . . . 10.9 mm100 -51.83 -52.35 49.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.913 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 672' ' ' TYR . . . . . 0.466 ' CD1' ' C ' ' A' ' 672' ' ' TYR . 1.4 t80 -43.45 -45.25 6.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 -179.855 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 673' ' ' ILE . . . . . 0.467 ' CD1' HD13 ' A' ' 703' ' ' ILE . 8.8 mt -62.75 -37.46 79.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.172 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 674' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -73.28 -61.57 1.78 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.893 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 675' ' ' LYS . . . . . . . . . . . . . 6.1 mtpm? -60.52 -68.79 0.27 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.923 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 676' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -90.35 161.72 15.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.856 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 4.7 p -137.85 162.54 33.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.139 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 678' ' ' ILE . . . . . 0.445 ' O ' ' N ' ' A' ' 698' ' ' LEU . 4.6 mp -91.06 142.62 12.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.122 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 19.9 m -114.13 127.93 56.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.156 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 680' ' ' LEU . . . . . . . . . . . . . 6.8 tt -132.14 100.97 5.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.958 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 681' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -97.98 150.98 20.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.924 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 682' ' ' VAL . . . . . . . . . . . . . 69.6 t -123.37 116.81 49.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.113 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 683' ' ' HIS . . . . . 0.651 ' NE2' ' CE2' ' A' ' 632' ' ' PHE . 0.1 OUTLIER -114.49 156.41 24.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.855 179.924 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 684' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -89.42 142.58 27.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -98.17 109.15 21.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.093 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 686' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -99.14 168.02 10.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.886 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 687' ' ' SER . . . . . . . . . . . . . 39.1 t -50.55 -61.02 2.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.846 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 688' ' ' THR . . . . . . . . . . . . . 73.2 p -132.15 32.87 3.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.151 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 689' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -141.44 156.78 45.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 690' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -148.9 119.37 7.39 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.963 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 691' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -149.48 151.92 34.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.923 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 692' ' ' THR . . . . . . . . . . . . . 1.8 m -82.57 145.21 29.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.142 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 693' ' ' ILE . . . . . 0.4 HD12 ' C ' ' A' ' 693' ' ' ILE . 2.8 pp -126.44 -7.78 5.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.163 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 694' ' ' ALA . . . . . 0.423 ' N ' HG21 ' A' ' 719' ' ' THR . . . -165.91 149.94 8.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.106 179.824 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 695' ' ' ALA . . . . . . . . . . . . . . . -151.87 134.79 15.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.155 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 696' ' ' CYS . . . . . . . . . . . . . 16.7 p -146.44 165.47 29.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.867 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 697' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -117.69 112.09 20.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.926 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 698' ' ' LEU . . . . . 0.445 ' N ' ' O ' ' A' ' 678' ' ' ILE . 21.3 mt -70.05 125.52 26.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.922 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 699' ' ' LYS . . . . . . . . . . . . . 7.6 ptpt -150.14 129.53 12.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.919 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 700' ' ' PHE . . . . . 0.549 ' CD1' ' CE1' ' A' ' 733' ' ' PHE . 2.1 m-85 -108.38 125.26 51.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.861 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 701' ' ' HIS . . . . . . . . . . . . . 37.9 m-70 -89.26 -60.79 1.85 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.836 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 702' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -51.32 -29.14 14.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.904 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 703' ' ' ILE . . . . . 0.492 HG13 ' CD2' ' A' ' 733' ' ' PHE . 0.0 OUTLIER -54.51 -27.7 17.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.121 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 704' ' ' LEU . . . . . 0.482 HD21 ' CG2' ' A' ' 703' ' ' ILE . 4.2 mm? -74.46 -50.52 18.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.913 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 705' ' ' GLU . . . . . 0.409 ' CG ' ' H ' ' A' ' 706' ' ' LYS . 13.2 pt-20 -73.18 -56.53 4.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.936 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 706' ' ' LYS . . . . . 0.409 ' H ' ' CG ' ' A' ' 705' ' ' GLU . 14.7 mttp -89.05 147.61 24.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.884 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 707' ' ' SER . . . . . . . . . . . . . 15.0 m -122.13 108.7 13.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.844 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 708' ' ' GLY . . . . . . . . . . . . . . . 137.55 -149.73 20.47 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.512 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 709' ' ' ARG . . . . . 0.454 ' CD ' ' O ' ' A' ' 709' ' ' ARG . 0.9 OUTLIER -60.52 117.13 4.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.805 0.336 . . . . 0.0 110.865 -179.889 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 710' ' ' ILE . . . . . 0.427 ' CD1' ' HA ' ' A' ' 703' ' ' ILE . 41.2 mt -138.69 110.71 5.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.17 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 711' ' ' PHE . . . . . . . . . . . . . 38.3 m-85 -79.23 127.8 32.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.88 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 712' ' ' CYS . . . . . . . . . . . . . 1.8 m -154.91 173.24 16.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.836 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 713' ' ' THR . . . . . . . . . . . . . 37.8 p -146.31 166.72 25.45 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.115 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 714' ' ' ALA . . . . . . . . . . . . . . . -136.21 137.53 40.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.118 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 715' ' ' SER . . . . . . . . . . . . . 63.6 m -78.56 149.49 33.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.812 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 716' ' ' LEU . . . . . . . . . . . . . 10.2 mt -116.69 139.48 50.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.912 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 717' ' ' ILE . . . . . . . . . . . . . 4.5 mp -123.71 122.4 64.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.193 179.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 718' ' ' GLY . . . . . . . . . . . . . . . -49.84 170.0 0.18 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.519 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 719' ' ' THR . . . . . 0.423 HG21 ' N ' ' A' ' 694' ' ' ALA . 34.3 p -111.31 -24.22 10.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.888 0.375 . . . . 0.0 111.182 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 720' ' ' LYS . . . . . 0.463 ' N ' ' HD3' ' A' ' 720' ' ' LYS . 0.0 OUTLIER -95.09 -71.81 0.65 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 179.891 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 721' ' ' GLY . . . . . 0.419 ' O ' ' C ' ' A' ' 722' ' ' ASP . . . -82.93 20.67 9.1 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.776 -0.725 . . . . 0.0 112.489 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 722' ' ' ASP . . . . . 0.419 ' C ' ' O ' ' A' ' 721' ' ' GLY . 7.1 m-20 36.18 45.0 0.3 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.798 0.332 . . . . 0.0 110.884 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 723' ' ' ILE . . . . . . . . . . . . . 56.6 mt -69.65 112.82 13.4 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.609 0.718 . . . . 0.0 111.123 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 724' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -46.26 1.3 Allowed 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.687 2.258 . . . . 0.0 112.312 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 725' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 -92.1 48.91 1.46 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.904 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 726' ' ' PHE . . . . . 0.463 ' CE1' HG23 ' A' ' 620' ' ' VAL . 27.6 t80 -67.01 -37.47 84.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.906 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 727' ' ' GLY . . . . . . . . . . . . . . . 159.0 172.92 26.72 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.476 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 728' ' ' THR . . . . . . . . . . . . . 2.7 m -120.01 144.16 47.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.892 0.377 . . . . 0.0 111.136 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 729' ' ' VAL . . . . . . . . . . . . . 13.0 p -102.19 134.58 42.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.096 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -105.52 107.02 17.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.882 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 731' ' ' TYR . . . . . . . . . . . . . 5.0 p90 -127.72 176.1 7.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 732' ' ' TRP . . . . . 0.534 ' CZ2' ' HB2' ' A' ' 734' ' ' ARG . 7.2 t90 -153.36 137.42 16.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.935 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 733' ' ' PHE . . . . . 0.549 ' CE1' ' CD1' ' A' ' 700' ' ' PHE . 19.3 p90 -133.98 152.99 52.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.879 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 734' ' ' ARG . . . . . 0.534 ' HB2' ' CZ2' ' A' ' 732' ' ' TRP . 18.1 ttp180 -145.88 131.16 18.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.854 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 735' ' ' LEU . . . . . . . . . . . . . 12.7 tp -128.52 107.67 9.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 736' ' ' ARG . . . . . 0.405 ' O ' ' C ' ' A' ' 737' ' ' VAL . 16.1 tpp180 -142.06 151.11 42.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.826 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 737' ' ' VAL . . . . . 0.405 ' C ' ' O ' ' A' ' 736' ' ' ARG . 1.5 p -37.68 -40.46 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.129 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 738' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 72.8 35.84 0.99 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.847 -179.835 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 739' ' ' GLY . . . . . . . . . . . . . . . -59.25 -146.74 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.51 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 740' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 109.79 2.4 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.69 2.26 . . . . 0.0 112.344 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 7.6 t -69.51 122.86 19.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.813 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 58.6 m -106.23 -46.4 4.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.865 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 743' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.491 -179.975 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 588' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 N-CA-C 112.521 -0.231 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 3.6 t -111.92 -59.03 2.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.84 0.352 . . . . 0.0 110.841 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 590' ' ' SER . . . . . . . . . . . . . 8.5 t 67.4 42.04 2.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.872 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 591' ' ' GLY . . . . . . . . . . . . . . . -117.11 -50.91 0.38 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.531 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 3.1 m 46.3 42.13 9.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.853 0.359 . . . . 0.0 110.854 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 59.7 p -148.07 141.3 25.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.858 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 594' ' ' GLY . . . . . . . . . . . . . . . 118.32 -141.16 15.96 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.498 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 595' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -156.67 148.44 22.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.768 0.318 . . . . 0.0 110.885 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 596' ' ' GLU . . . . . . . . . . . . . 47.0 tt0 -165.02 129.73 2.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.859 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 597' ' ' THR . . . . . . . . . . . . . 27.9 p -119.15 104.49 10.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.165 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 598' ' ' ILE . . . . . 0.405 ' O ' ' C ' ' A' ' 599' ' ' HIS . 36.4 mm -80.42 113.15 19.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.091 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 599' ' ' HIS . . . . . 0.405 ' C ' ' O ' ' A' ' 598' ' ' ILE . 6.8 t60 -37.12 127.34 0.96 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.867 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 600' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -77.77 71.72 4.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.898 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 601' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -69.1 176.85 2.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 602' ' ' ARG . . . . . . . . . . . . . 5.3 mmp_? -91.02 179.09 5.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 603' ' ' GLY . . . . . . . . . . . . . . . -75.7 46.8 2.05 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.483 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 604' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -113.79 100.08 8.18 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.847 0.356 . . . . 0.0 110.886 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 605' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -113.95 128.17 56.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 606' ' ' LEU . . . . . . . . . . . . . 45.9 tp -93.24 130.37 38.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 607' ' ' PHE . . . . . 0.79 ' CD1' ' CZ ' ' A' ' 637' ' ' PHE . 19.6 t80 -137.0 139.73 41.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 608' ' ' GLU . . . . . 0.584 ' OE2' ' CH2' ' A' ' 732' ' ' TRP . 3.0 pp20? -154.52 165.58 36.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.894 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 609' ' ' ILE . . . . . 0.53 HD13 ' CE1' ' A' ' 637' ' ' PHE . 5.3 mp -139.15 114.47 8.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.142 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 610' ' ' HIS . . . . . 0.444 ' HB3' ' NE1' ' A' ' 732' ' ' TRP . 8.6 t60 -99.63 116.31 31.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.833 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 49.2 mm -87.54 117.78 32.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.161 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 612' ' ' ASN . . . . . . . . . . . . . 44.3 t-20 -72.19 -62.75 1.32 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.884 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 613' ' ' LYS . . . . . . . . . . . . . 14.5 pttp -170.43 176.41 4.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.863 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 614' ' ' VAL . . . . . . . . . . . . . 88.6 t -115.08 115.47 49.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.143 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 615' ' ' THR . . . . . . . . . . . . . 95.3 m -87.26 135.72 33.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.162 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 616' ' ' PHE . . . . . 0.491 ' CD1' HG13 ' A' ' 620' ' ' VAL . 33.4 m-85 -112.24 166.71 11.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.893 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -125.78 163.31 23.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.846 -179.808 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 618' ' ' SER . . . . . . . . . . . . . 73.4 m -39.89 -60.62 0.98 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.873 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 619' ' ' GLU . . . . . . . . . . . . . 44.0 mm-40 -41.54 -35.96 0.82 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 620' ' ' VAL . . . . . 0.532 HG22 ' CE1' ' A' ' 726' ' ' PHE . 5.4 t -82.38 -56.34 6.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.105 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 621' ' ' LEU . . . . . 0.459 ' CD2' HD12 ' A' ' 651' ' ' LEU . 15.9 mt -46.82 -39.62 12.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 622' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -74.38 -49.38 22.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.919 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -43.31 -48.07 6.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.063 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 22.8 t -77.2 -43.52 33.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.855 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 625' ' ' GLY . . . . . . . . . . . . . . . 112.84 -163.0 12.19 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.459 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 626' ' ' ASP . . . . . . . . . . . . . 57.0 m-20 -83.82 41.37 0.79 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.841 0.353 . . . . 0.0 110.862 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 19.0 mmtp -123.49 176.98 5.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.927 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -103.3 99.4 14.68 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.677 0.751 . . . . 0.0 110.893 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 629' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 110.38 2.54 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.704 2.269 . . . . 0.0 112.312 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 630' ' ' VAL . . . . . 0.464 ' CG1' HG21 ' A' ' 647' ' ' VAL . 11.2 t -86.8 120.6 36.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.15 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 631' ' ' THR . . . . . . . . . . . . . 44.4 p -145.03 170.76 15.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.148 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 632' ' ' PHE . . . . . . . . . . . . . 25.1 p90 -155.42 152.94 29.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.905 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 633' ' ' CYS . . . . . . . . . . . . . 73.8 m -94.31 139.37 31.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.852 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 634' ' ' THR . . . . . . . . . . . . . 67.0 p -142.21 125.74 16.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.165 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 635' ' ' TYR . . . . . . . . . . . . . 18.6 p90 -170.2 169.57 7.74 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.955 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 636' ' ' ALA . . . . . . . . . . . . . . . -116.24 152.45 33.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.088 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 637' ' ' PHE . . . . . 0.79 ' CZ ' ' CD1' ' A' ' 607' ' ' PHE . 55.4 t80 -118.92 118.9 32.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.866 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 638' ' ' TYR . . . . . . . . . . . . . 6.3 t80 70.07 32.12 3.08 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.92 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 639' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 62.65 35.31 14.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.854 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 640' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -96.66 179.42 4.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -61.46 125.17 22.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.865 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 642' ' ' LEU . . . . . . . . . . . . . 1.6 tp -54.45 137.02 43.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.906 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 643' ' ' GLN . . . . . . . . . . . . . 7.7 tp-100 -113.44 119.56 38.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.901 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 644' ' ' THR . . . . . . . . . . . . . 49.3 m -85.17 121.5 28.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.167 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 645' ' ' THR . . . . . . . . . . . . . 52.1 p -79.13 153.1 77.11 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.578 0.704 . . . . 0.0 111.153 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 646' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 103.06 1.1 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.668 2.245 . . . . 0.0 112.343 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 647' ' ' VAL . . . . . 0.464 HG21 ' CG1' ' A' ' 630' ' ' VAL . 9.5 p -68.72 138.77 21.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.12 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 648' ' ' VAL . . . . . 0.464 HG21 ' CB ' ' A' ' 653' ' ' PRO . 31.3 m -136.09 158.9 38.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.117 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 649' ' ' ARG . . . . . 0.412 ' N ' ' HD2' ' A' ' 649' ' ' ARG . 3.3 mpt_? -85.4 149.2 25.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.837 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 650' ' ' GLY . . . . . . . . . . . . . . . 125.01 166.45 12.37 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.477 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 651' ' ' LEU . . . . . 0.471 ' N ' HD21 ' A' ' 651' ' ' LEU . 4.3 mm? -80.49 -65.61 0.99 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.825 0.345 . . . . 0.0 110.858 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 652' ' ' HIS . . . . . 0.438 ' CE1' ' H ' ' A' ' 616' ' ' PHE . 18.2 m170 -111.9 64.42 0.65 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.591 0.71 . . . . 0.0 110.852 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 653' ' ' PRO . . . . . 0.464 ' CB ' HG21 ' A' ' 648' ' ' VAL . 54.1 Cg_endo -69.75 -174.06 0.83 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.653 2.235 . . . . 0.0 112.348 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -135.03 103.87 5.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.882 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 655' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -71.94 -56.92 4.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.922 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 63.38 40.56 8.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.864 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 657' ' ' PHE . . . . . 0.519 ' CZ ' ' HB2' ' A' ' 659' ' ' SER . 3.5 t80 -84.41 135.57 34.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.85 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 39.3 m -135.52 136.88 41.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.169 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 659' ' ' SER . . . . . 0.519 ' HB2' ' CZ ' ' A' ' 657' ' ' PHE . 1.6 t -152.42 121.32 6.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.843 -179.853 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -110.28 147.58 33.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.879 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 661' ' ' TYR . . . . . . . . . . . . . 38.6 m-85 -150.76 132.87 15.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.916 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 662' ' ' LEU . . . . . 0.42 HD13 ' C ' ' A' ' 662' ' ' LEU . 0.4 OUTLIER -72.63 114.29 10.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.959 179.916 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 663' ' ' VAL . . . . . . . . . . . . . 15.4 m -115.64 119.18 61.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.1 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 664' ' ' HIS . . . . . . . . . . . . . 28.8 p-80 -88.26 97.66 11.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.852 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 665' ' ' VAL . . . . . 0.503 HG13 ' CD2' ' A' ' 669' ' ' PHE . 1.1 p -146.15 153.95 13.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.108 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 666' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -102.31 -174.04 2.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 667' ' ' ASP . . . . . 0.494 ' O ' ' N ' ' A' ' 669' ' ' PHE . 2.4 m-20 -41.55 -43.66 2.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 668' ' ' LEU . . . . . 0.457 ' C ' ' O ' ' A' ' 667' ' ' ASP . 4.3 mm? -33.95 -33.94 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 669' ' ' PHE . . . . . 0.503 ' CD2' HG13 ' A' ' 665' ' ' VAL . 42.1 t80 -53.1 -50.66 63.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.874 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 670' ' ' LEU . . . . . . . . . . . . . 38.9 mt -43.33 -45.22 5.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 671' ' ' GLN . . . . . 0.413 ' O ' ' C ' ' A' ' 672' ' ' TYR . 35.1 mt-30 -56.94 -58.48 7.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.923 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 672' ' ' TYR . . . . . 0.441 ' CD1' ' C ' ' A' ' 672' ' ' TYR . 0.3 OUTLIER -37.07 -37.71 0.17 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.895 -179.806 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 673' ' ' ILE . . . . . 0.404 ' CD1' HD12 ' A' ' 703' ' ' ILE . 88.7 mt -61.19 -55.16 26.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.149 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 674' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -68.15 -45.7 72.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 675' ' ' LYS . . . . . . . . . . . . . 33.8 mmtt -58.5 -64.87 0.77 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.92 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 676' ' ' ASN . . . . . 0.4 ' O ' ' O ' ' A' ' 673' ' ' ILE . 9.6 m-20 -111.4 164.22 13.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.893 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 20.0 p -125.55 164.57 20.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.128 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 678' ' ' ILE . . . . . . . . . . . . . 17.5 mt -87.46 133.08 31.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.135 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 55.6 m -100.57 107.85 19.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.164 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 680' ' ' LEU . . . . . . . . . . . . . 6.1 tt -119.72 102.26 8.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.874 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 681' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 -106.87 137.01 45.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.897 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 682' ' ' VAL . . . . . . . . . . . . . 97.6 t -108.67 108.11 24.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.098 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 683' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -95.5 155.11 16.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.83 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 684' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -83.62 159.3 21.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.947 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -115.52 104.73 12.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.075 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 686' ' ' TYR . . . . . 0.599 ' CE1' ' OE1' ' A' ' 691' ' ' GLU . 39.2 p90 -128.67 132.29 48.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.962 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 687' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 686' ' ' TYR . 78.5 p 36.32 46.98 0.44 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.883 -179.85 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 688' ' ' THR . . . . . . . . . . . . . 2.3 p 62.77 38.57 11.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.154 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 689' ' ' GLU . . . . . 0.569 ' HB2' ' CE2' ' A' ' 686' ' ' TYR . 20.6 mt-10 -131.2 155.54 46.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 690' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -132.8 137.18 46.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.941 -179.856 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 691' ' ' GLU . . . . . 0.599 ' OE1' ' CE1' ' A' ' 686' ' ' TYR . 12.6 pt-20 -144.61 114.56 7.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.902 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 692' ' ' THR . . . . . . . . . . . . . 10.5 m -46.38 102.59 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.155 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 693' ' ' ILE . . . . . . . . . . . . . 2.6 pp -95.74 -35.04 5.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.126 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -142.15 145.03 33.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.102 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 695' ' ' ALA . . . . . . . . . . . . . . . -135.06 150.15 50.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.095 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 696' ' ' CYS . . . . . . . . . . . . . 22.0 p -156.32 160.0 39.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 697' ' ' GLN . . . . . . . . . . . . . 65.4 mm-40 -117.8 117.24 28.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.958 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 698' ' ' LEU . . . . . . . . . . . . . 15.7 mt -84.55 132.58 34.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.938 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 699' ' ' LYS . . . . . . . . . . . . . 8.6 ptpt -151.74 134.53 15.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 700' ' ' PHE . . . . . 0.694 ' CD2' ' CD1' ' A' ' 733' ' ' PHE . 3.4 m-85 -107.25 125.88 51.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.888 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 701' ' ' HIS . . . . . . . . . . . . . 29.2 m-70 -91.68 -55.43 3.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.878 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 702' ' ' GLU . . . . . . . . . . . . . 43.9 mm-40 -47.24 -43.43 21.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 703' ' ' ILE . . . . . 0.542 ' HB ' ' CE2' ' A' ' 733' ' ' PHE . 17.8 tt -46.29 -29.44 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.1 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 704' ' ' LEU . . . . . . . . . . . . . 17.5 mt -56.85 -40.19 75.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.945 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 705' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -103.46 -47.8 4.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 706' ' ' LYS . . . . . . . . . . . . . 85.2 mttt -89.99 -179.72 5.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 707' ' ' SER . . . . . . . . . . . . . 47.8 m -159.07 105.13 1.73 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.858 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 708' ' ' GLY . . . . . . . . . . . . . . . 142.42 -153.34 24.41 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.536 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 709' ' ' ARG . . . . . 0.417 ' C ' HG13 ' A' ' 710' ' ' ILE . 13.0 ttm180 -61.55 116.7 4.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.776 0.322 . . . . 0.0 110.888 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 710' ' ' ILE . . . . . 0.417 HG13 ' C ' ' A' ' 709' ' ' ARG . 23.6 mt -141.27 114.6 4.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.109 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 711' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -58.61 117.29 4.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 712' ' ' CYS . . . . . . . . . . . . . 1.7 p -148.22 168.12 23.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.934 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 713' ' ' THR . . . . . . . . . . . . . 52.4 p -150.28 168.83 22.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.093 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 714' ' ' ALA . . . . . . . . . . . . . . . -137.65 153.86 49.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.094 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 715' ' ' SER . . . . . . . . . . . . . 41.3 p -93.43 160.4 14.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.856 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 716' ' ' LEU . . . . . . . . . . . . . 15.0 mt -125.02 140.03 53.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.938 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 717' ' ' ILE . . . . . 0.445 ' N ' HD13 ' A' ' 717' ' ' ILE . 4.6 mp -128.66 132.29 67.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.132 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 718' ' ' GLY . . . . . . . . . . . . . . . -74.78 137.84 22.94 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.49 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 719' ' ' THR . . . . . . . . . . . . . 19.7 p -78.03 -61.47 1.99 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.876 0.37 . . . . 0.0 111.141 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 720' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.39 42.85 0.77 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.94 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 721' ' ' GLY . . . . . . . . . . . . . . . -167.95 -31.36 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.458 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 722' ' ' ASP . . . . . . . . . . . . . 27.6 t70 65.41 41.72 4.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.781 0.324 . . . . 0.0 110.856 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 723' ' ' ILE . . . . . . . . . . . . . 67.3 mt -95.86 109.65 47.47 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.588 0.709 . . . . 0.0 111.12 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 724' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -32.53 18.3 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.67 2.246 . . . . 0.0 112.343 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 725' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -87.44 37.27 0.77 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.913 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 726' ' ' PHE . . . . . 0.532 ' CE1' HG22 ' A' ' 620' ' ' VAL . 5.2 t80 -62.68 -50.44 71.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 727' ' ' GLY . . . . . . . . . . . . . . . 161.83 177.88 35.26 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.511 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 728' ' ' THR . . . . . . . . . . . . . 7.8 m -126.68 147.27 49.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.823 0.344 . . . . 0.0 111.103 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 729' ' ' VAL . . . . . . . . . . . . . 12.8 p -106.43 142.09 20.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.123 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -108.72 124.2 50.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.861 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 731' ' ' TYR . . . . . . . . . . . . . 4.7 p90 -156.34 163.7 39.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.92 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 732' ' ' TRP . . . . . 0.584 ' CH2' ' OE2' ' A' ' 608' ' ' GLU . 57.6 p-90 -139.93 125.08 18.72 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.918 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 733' ' ' PHE . . . . . 0.694 ' CD1' ' CD2' ' A' ' 700' ' ' PHE . 38.0 p90 -106.13 158.03 17.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 734' ' ' ARG . . . . . . . . . . . . . 51.3 ttt180 -148.9 116.31 6.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.827 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 735' ' ' LEU . . . . . . . . . . . . . 8.5 tp -113.65 104.81 12.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.925 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 736' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? -152.66 153.89 34.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.838 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 737' ' ' VAL . . . . . . . . . . . . . 8.1 p -57.65 137.09 20.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.129 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 738' ' ' SER . . . . . . . . . . . . . 24.4 p -75.15 133.58 41.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.826 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 739' ' ' GLY . . . . . . . . . . . . . . . -120.59 -141.12 6.18 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.455 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 740' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 101.97 0.97 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.729 2.286 . . . . 0.0 112.316 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 25.1 t -112.72 138.46 49.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 79.8 p -81.51 41.96 0.65 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.864 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 743' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.496 -179.995 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 588' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 79.2 p -161.1 157.16 25.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.906 0.384 . . . . 0.0 110.865 -179.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 590' ' ' SER . . . . . . . . . . . . . 66.6 m -75.81 163.05 27.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.9 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 591' ' ' GLY . . . . . . . . . . . . . . . 174.04 125.19 0.83 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.504 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 67.6 m -115.23 92.24 3.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.857 0.361 . . . . 0.0 110.836 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 3.2 m -39.53 -46.64 1.77 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.901 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 594' ' ' GLY . . . . . . . . . . . . . . . -178.96 73.57 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.52 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 595' ' ' ASP . . . . . . . . . . . . . 3.1 t0 69.47 25.04 5.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.761 0.315 . . . . 0.0 110.865 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 596' ' ' GLU . . . . . . . . . . . . . 48.8 mm-40 49.95 41.86 23.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.868 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 597' ' ' THR . . . . . . . . . . . . . 15.6 p -134.63 119.31 18.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.115 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 598' ' ' ILE . . . . . 0.52 HG21 ' CD2' ' A' ' 599' ' ' HIS . 59.5 mt -95.85 -55.05 6.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.171 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 599' ' ' HIS . . . . . 0.52 ' CD2' HG21 ' A' ' 598' ' ' ILE . 83.5 m-70 -130.65 162.72 28.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.85 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 600' ' ' LEU . . . . . . . . . . . . . 25.6 mt -121.11 113.29 19.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.957 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 601' ' ' GLU . . . . . . . . . . . . . 28.4 mm-40 -49.91 173.49 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 602' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -127.65 36.6 4.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 603' ' ' GLY . . . . . . . . . . . . . . . -119.07 -170.72 14.73 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.435 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 604' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -39.59 134.73 1.26 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.846 0.355 . . . . 0.0 110.897 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 605' ' ' ASN . . . . . . . . . . . . . 36.6 m-80 -115.1 165.16 13.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 606' ' ' LEU . . . . . . . . . . . . . 5.5 tp -141.59 131.07 23.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.934 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 607' ' ' PHE . . . . . 0.502 ' CD2' HD11 ' A' ' 609' ' ' ILE . 9.8 t80 -120.33 134.17 55.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.851 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 608' ' ' GLU . . . . . 0.495 ' OE1' ' N ' ' A' ' 608' ' ' GLU . 13.6 pm0 -140.21 139.44 35.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.905 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 609' ' ' ILE . . . . . 0.502 HD11 ' CD2' ' A' ' 607' ' ' PHE . 5.3 mp -123.73 112.7 34.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.123 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 610' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -96.91 134.34 40.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.816 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 45.5 mm -99.13 103.78 15.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.095 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 612' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -58.52 -66.33 0.51 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 613' ' ' LYS . . . . . . . . . . . . . 6.7 pttp -166.95 178.16 5.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 614' ' ' VAL . . . . . . . . . . . . . 98.1 t -125.61 127.81 71.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.114 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 615' ' ' THR . . . . . . . . . . . . . 31.3 m -108.64 143.89 37.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.13 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 616' ' ' PHE . . . . . 0.478 ' HB3' ' CG2' ' A' ' 620' ' ' VAL . 42.6 m-85 -124.07 167.83 13.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.895 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 617' ' ' SER . . . . . 0.494 ' O ' ' N ' ' A' ' 619' ' ' GLU . 23.2 t -114.24 154.95 27.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.865 -179.834 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 618' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 617' ' ' SER . 13.1 t -35.84 -30.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.8 -179.843 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 619' ' ' GLU . . . . . 0.494 ' N ' ' O ' ' A' ' 617' ' ' SER . 7.3 mm-40 -45.45 -68.47 0.19 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.858 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 620' ' ' VAL . . . . . 0.478 ' CG2' ' HB3' ' A' ' 616' ' ' PHE . 3.3 m -66.6 -44.01 90.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.109 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 621' ' ' LEU . . . . . 0.478 ' N ' ' CG2' ' A' ' 620' ' ' VAL . 12.5 mt -39.61 -41.04 0.98 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.925 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 622' ' ' GLN . . . . . . . . . . . . . 9.0 mm-40 -78.0 -43.71 28.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.915 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -49.58 -44.73 47.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.111 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 19.2 m -77.66 -62.46 1.66 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 625' ' ' GLY . . . . . . . . . . . . . . . 115.37 -149.49 18.84 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.478 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 626' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -85.22 43.42 1.01 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.902 0.382 . . . . 0.0 110.86 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 28.4 pttt -129.22 161.64 29.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -97.22 103.16 14.45 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.661 0.743 . . . . 0.0 110.892 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 629' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 114.98 3.88 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.726 2.284 . . . . 0.0 112.37 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 630' ' ' VAL . . . . . 0.469 HG11 ' CG2' ' A' ' 647' ' ' VAL . 13.0 t -89.82 124.46 42.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.159 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 631' ' ' THR . . . . . 0.465 ' CG2' ' HG2' ' A' ' 684' ' ' GLN . 81.1 p -143.04 163.32 33.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.12 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 632' ' ' PHE . . . . . 0.403 ' CD1' ' O ' ' A' ' 632' ' ' PHE . 15.3 p90 -147.88 141.5 25.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 633' ' ' CYS . . . . . . . . . . . . . 35.2 m -90.4 154.66 19.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.838 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 634' ' ' THR . . . . . . . . . . . . . 6.3 p -154.17 132.81 12.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.164 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 635' ' ' TYR . . . . . . . . . . . . . 10.5 p90 -160.87 177.78 10.06 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.919 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 636' ' ' ALA . . . . . . . . . . . . . . . -151.14 155.13 38.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.114 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 637' ' ' PHE . . . . . 0.569 ' O ' ' CD2' ' A' ' 640' ' ' PHE . 14.1 t80 -112.76 138.99 48.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.921 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 638' ' ' TYR . . . . . 0.552 ' HB2' ' CE2' ' A' ' 640' ' ' PHE . 16.9 m-85 42.84 40.49 2.13 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.915 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 639' ' ' ASP . . . . . . . . . . . . . 45.0 m-20 58.33 37.66 25.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.853 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 640' ' ' PHE . . . . . 0.569 ' CD2' ' O ' ' A' ' 637' ' ' PHE . 16.6 m-85 -89.81 175.02 7.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.927 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -52.11 129.14 26.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 642' ' ' LEU . . . . . . . . . . . . . 8.3 tp -65.31 141.58 58.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.911 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 643' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -113.32 115.95 28.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 644' ' ' THR . . . . . . . . . . . . . 31.6 m -84.65 112.7 20.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.132 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 645' ' ' THR . . . . . . . . . . . . . 20.3 p -70.81 154.82 94.08 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.577 0.703 . . . . 0.0 111.127 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 646' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.85 106.24 1.64 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.669 2.246 . . . . 0.0 112.353 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 647' ' ' VAL . . . . . 0.469 ' CG2' HG11 ' A' ' 630' ' ' VAL . 11.4 p -68.79 135.69 27.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.146 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 12.0 t -129.75 145.51 35.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.108 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 649' ' ' ARG . . . . . . . . . . . . . 29.5 mtm180 -84.67 116.19 23.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.845 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 650' ' ' GLY . . . . . . . . . . . . . . . 151.74 176.49 24.54 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.464 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 651' ' ' LEU . . . . . 0.412 ' C ' ' HD3' ' A' ' 653' ' ' PRO . 38.1 mt -85.28 -59.21 2.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.816 0.341 . . . . 0.0 110.952 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 652' ' ' HIS . . . . . . . . . . . . . 4.1 m170 -111.39 66.31 0.61 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.603 0.716 . . . . 0.0 110.845 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 653' ' ' PRO . . . . . 0.412 ' HD3' ' C ' ' A' ' 651' ' ' LEU . 53.4 Cg_endo -69.79 163.8 36.94 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.663 2.242 . . . . 0.0 112.346 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -114.28 82.11 1.65 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.872 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 655' ' ' TYR . . . . . . . . . . . . . 31.4 m-85 -52.51 -56.53 14.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.92 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 56.8 m-20 60.0 45.05 12.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.9 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 657' ' ' PHE . . . . . 0.562 ' CZ ' ' HB2' ' A' ' 659' ' ' SER . 51.9 t80 -104.13 124.14 48.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -125.94 100.16 6.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.136 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 659' ' ' SER . . . . . 0.562 ' HB2' ' CZ ' ' A' ' 657' ' ' PHE . 7.4 t -93.68 165.6 12.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.856 -179.844 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 -131.56 130.33 42.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.933 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 661' ' ' TYR . . . . . . . . . . . . . 68.1 m-85 -125.77 119.66 28.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.948 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 662' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -79.15 109.82 13.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.957 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 663' ' ' VAL . . . . . . . . . . . . . 33.2 m -130.94 114.57 27.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.092 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 664' ' ' HIS . . . . . 0.575 ' CG ' ' O ' ' A' ' 664' ' ' HIS . 15.9 p-80 -94.23 102.55 14.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.871 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 665' ' ' VAL . . . . . 0.503 ' CG1' ' O ' ' A' ' 664' ' ' HIS . 4.5 m -165.51 165.53 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.113 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 666' ' ' ASN . . . . . . . . . . . . . 51.9 t30 -134.32 -63.01 0.73 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.896 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 667' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -81.2 -47.15 13.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.835 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 11.0 mp -57.99 -16.87 14.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 669' ' ' PHE . . . . . . . . . . . . . 19.3 t80 -77.9 -41.53 36.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 670' ' ' LEU . . . . . . . . . . . . . 15.0 mt -72.49 -59.82 2.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.975 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 671' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -54.17 -18.33 3.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.934 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 672' ' ' TYR . . . . . 0.457 ' CD1' ' C ' ' A' ' 672' ' ' TYR . 1.1 t80 -80.44 -35.18 35.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.962 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 673' ' ' ILE . . . . . 0.437 ' CD1' HD13 ' A' ' 703' ' ' ILE . 98.3 mt -78.52 -24.24 13.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.165 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 674' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -87.65 -61.93 1.61 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.906 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 675' ' ' LYS . . . . . . . . . . . . . 54.3 mttm -58.03 -62.41 1.84 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.847 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 676' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -103.85 166.8 10.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.858 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 35.0 p -139.54 176.52 8.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.088 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 678' ' ' ILE . . . . . . . . . . . . . 12.8 mt -88.98 152.71 3.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.159 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 23.8 m -119.07 104.26 10.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.148 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 680' ' ' LEU . . . . . . . . . . . . . 7.6 tt -120.69 104.36 9.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.947 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 681' ' ' GLU . . . . . 0.538 ' HB2' ' CE1' ' A' ' 683' ' ' HIS . 4.0 mp0 -107.19 143.35 35.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 682' ' ' VAL . . . . . . . . . . . . . 91.4 t -101.14 104.54 16.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.126 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 683' ' ' HIS . . . . . 0.538 ' CE1' ' HB2' ' A' ' 681' ' ' GLU . 10.8 m-70 -99.43 135.87 40.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.832 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 684' ' ' GLN . . . . . 0.465 ' HG2' ' CG2' ' A' ' 631' ' ' THR . 31.5 mt-30 -86.5 121.87 29.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.919 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -88.78 102.54 15.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.132 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 686' ' ' TYR . . . . . 0.553 ' CD2' ' O ' ' A' ' 689' ' ' GLU . 2.9 m-85 -79.4 168.92 18.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 -179.814 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 687' ' ' SER . . . . . . . . . . . . . 62.7 m -72.75 3.64 4.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.836 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 688' ' ' THR . . . . . . . . . . . . . 35.3 p -133.67 -63.58 0.74 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.158 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 689' ' ' GLU . . . . . 0.553 ' O ' ' CD2' ' A' ' 686' ' ' TYR . 6.2 tt0 -130.7 179.26 6.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 690' ' ' TYR . . . . . 0.477 ' CD1' ' N ' ' A' ' 690' ' ' TYR . 0.1 OUTLIER -139.96 136.36 33.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.926 -179.841 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 691' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -139.45 152.97 47.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.878 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 692' ' ' THR . . . . . . . . . . . . . 8.6 m -67.03 138.95 57.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.161 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 693' ' ' ILE . . . . . . . . . . . . . 5.9 pt -128.08 -27.58 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.104 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -145.42 150.04 35.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.155 179.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 695' ' ' ALA . . . . . . . . . . . . . . . -152.29 138.47 18.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.12 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 696' ' ' CYS . . . . . . . . . . . . . 11.5 p -149.96 164.46 35.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.887 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 697' ' ' GLN . . . . . . . . . . . . . 53.3 mm-40 -115.24 111.7 21.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.95 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 698' ' ' LEU . . . . . . . . . . . . . 1.8 mt -74.45 136.35 42.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.902 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 699' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -153.7 130.96 11.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 700' ' ' PHE . . . . . 0.604 ' CD2' ' CE1' ' A' ' 733' ' ' PHE . 0.7 OUTLIER -109.88 124.97 52.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.843 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 701' ' ' HIS . . . . . . . . . . . . . 55.1 m-70 -89.42 -43.19 11.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.867 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 702' ' ' GLU . . . . . 0.457 ' CB ' HG22 ' A' ' 710' ' ' ILE . 5.6 mm-40 -50.55 -42.79 55.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 703' ' ' ILE . . . . . 0.437 HD13 ' CD1' ' A' ' 673' ' ' ILE . 8.9 tt -49.54 -17.34 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.104 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 704' ' ' LEU . . . . . . . . . . . . . 30.2 mt -75.58 -35.34 60.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.927 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 705' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -111.98 -51.07 2.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 706' ' ' LYS . . . . . . . . . . . . . 25.2 mttt -88.23 177.42 6.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.876 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 707' ' ' SER . . . . . . . . . . . . . 2.2 t -161.33 132.04 5.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.805 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 708' ' ' GLY . . . . . . . . . . . . . . . 107.35 -127.69 8.9 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.468 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 709' ' ' ARG . . . . . 0.408 ' C ' HG13 ' A' ' 710' ' ' ILE . 30.4 ttm180 -62.24 97.83 0.1 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.743 0.306 . . . . 0.0 110.893 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 710' ' ' ILE . . . . . 0.457 HG22 ' CB ' ' A' ' 702' ' ' GLU . 17.8 mt -140.48 115.3 6.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.159 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 711' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -93.65 140.41 29.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.843 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 712' ' ' CYS . . . . . . . . . . . . . 2.7 t -152.48 173.63 14.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.939 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 713' ' ' THR . . . . . . . . . . . . . 21.8 p -141.6 167.91 21.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.151 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 714' ' ' ALA . . . . . . . . . . . . . . . -150.24 140.86 22.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.137 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 715' ' ' SER . . . . . . . . . . . . . 48.0 m -80.74 162.29 24.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.891 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 716' ' ' LEU . . . . . . . . . . . . . 7.6 mt -131.44 133.96 45.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.965 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 717' ' ' ILE . . . . . 0.431 ' N ' HD13 ' A' ' 717' ' ' ILE . 4.3 mp -111.31 145.02 18.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.089 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 718' ' ' GLY . . . . . . . . . . . . . . . -79.01 127.96 8.3 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.525 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 719' ' ' THR . . . . . . . . . . . . . 17.4 p -49.68 -75.3 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.879 0.371 . . . . 0.0 111.164 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 720' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -103.03 30.85 4.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.89 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 721' ' ' GLY . . . . . . . . . . . . . . . -121.19 -19.34 3.58 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.507 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 722' ' ' ASP . . . . . . . . . . . . . 43.8 m-20 53.79 36.49 24.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.827 0.346 . . . . 0.0 110.868 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 723' ' ' ILE . . . . . . . . . . . . . 67.6 mt -104.43 106.34 53.72 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.631 0.729 . . . . 0.0 111.123 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 724' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -37.43 9.24 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.717 2.278 . . . . 0.0 112.339 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 725' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 -84.8 30.11 0.59 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 726' ' ' PHE . . . . . . . . . . . . . 8.9 t80 -52.57 -47.01 67.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 727' ' ' GLY . . . . . . . . . . . . . . . 159.65 157.99 8.9 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.504 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 728' ' ' THR . . . . . . . . . . . . . 2.5 m -107.25 142.98 36.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.822 0.344 . . . . 0.0 111.173 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 729' ' ' VAL . . . . . . . . . . . . . 13.0 p -103.72 138.47 28.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.122 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -110.46 102.81 11.4 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.861 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 731' ' ' TYR . . . . . . . . . . . . . 18.0 p90 -117.92 162.06 18.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 732' ' ' TRP . . . . . 0.574 ' CZ3' ' HG2' ' A' ' 734' ' ' ARG . 80.0 t90 -139.65 124.59 18.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.907 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 733' ' ' PHE . . . . . 0.604 ' CE1' ' CD2' ' A' ' 700' ' ' PHE . 23.4 p90 -119.3 159.19 24.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 734' ' ' ARG . . . . . 0.574 ' HG2' ' CZ3' ' A' ' 732' ' ' TRP . 8.6 ptt180 -148.04 122.18 9.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 735' ' ' LEU . . . . . . . . . . . . . 58.2 tp -108.49 104.63 14.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 736' ' ' ARG . . . . . 0.415 ' HE ' ' N ' ' A' ' 737' ' ' VAL . 0.0 OUTLIER -138.26 115.02 10.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.909 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 737' ' ' VAL . . . . . 0.415 ' N ' ' HE ' ' A' ' 736' ' ' ARG . 5.8 p -37.36 147.47 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.112 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 738' ' ' SER . . . . . . . . . . . . . 7.0 t -116.14 123.62 48.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.878 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 739' ' ' GLY . . . . . . . . . . . . . . . -66.22 125.68 27.3 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.542 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 740' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -47.69 0.88 Allowed 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.699 2.266 . . . . 0.0 112.326 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 5.1 t -95.53 -48.87 5.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.859 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 21.9 t -50.2 -59.03 4.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.864 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 743' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.483 179.996 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 588' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 N-CA-C 112.494 -0.243 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 90.7 p 40.39 43.38 1.47 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.862 0.363 . . . . 0.0 110.823 -179.725 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 590' ' ' SER . . . . . . . . . . . . . 50.6 p -41.85 -42.03 2.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.827 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 591' ' ' GLY . . . . . . . . . . . . . . . 141.01 161.89 8.88 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.495 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 27.5 p -151.92 132.0 13.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.88 0.371 . . . . 0.0 110.863 -179.739 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 40.9 m -93.38 134.54 35.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.877 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 594' ' ' GLY . . . . . . . . . . . . . . . 120.53 -94.07 0.55 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.502 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 595' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -98.99 117.41 33.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.786 0.327 . . . . 0.0 110.878 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 596' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -167.66 137.52 2.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 597' ' ' THR . . . . . . . . . . . . . 8.1 t -145.64 155.1 42.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.154 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 598' ' ' ILE . . . . . . . . . . . . . 50.0 mm -95.55 -46.78 13.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.117 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 599' ' ' HIS . . . . . . . . . . . . . 7.4 p80 -69.68 107.34 3.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.857 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 600' ' ' LEU . . . . . . . . . . . . . 54.9 mt -144.66 110.75 5.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.935 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 601' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -94.72 171.84 8.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 602' ' ' ARG . . . . . . . . . . . . . 5.7 ptp180 -133.32 -59.59 0.87 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.857 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 603' ' ' GLY . . . . . . . . . . . . . . . 178.01 -84.58 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.461 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 604' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -39.13 156.79 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.873 0.368 . . . . 0.0 110.896 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 605' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 -114.19 170.47 8.26 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 606' ' ' LEU . . . . . . . . . . . . . 19.5 tp -142.61 138.63 30.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.936 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 607' ' ' PHE . . . . . 0.566 ' CZ ' ' HB2' ' A' ' 733' ' ' PHE . 27.0 t80 -122.55 108.13 12.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.894 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 608' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -96.74 139.05 33.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.888 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 609' ' ' ILE . . . . . 0.573 HD12 ' CD1' ' A' ' 637' ' ' PHE . 30.1 mt -134.87 107.96 9.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.132 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 610' ' ' HIS . . . . . 0.581 ' CD2' ' C ' ' A' ' 610' ' ' HIS . 0.3 OUTLIER -113.45 139.09 49.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.852 179.906 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 41.4 mm -102.14 125.54 56.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.088 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 612' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -78.1 -67.32 0.74 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.855 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 613' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.9 179.21 3.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.884 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 614' ' ' VAL . . . . . . . . . . . . . 98.7 t -130.88 116.16 33.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.172 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 615' ' ' THR . . . . . . . . . . . . . 44.8 m -87.8 138.05 31.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.112 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 616' ' ' PHE . . . . . 0.499 ' HB3' ' CG2' ' A' ' 620' ' ' VAL . 40.8 m-85 -113.98 167.25 10.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.922 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 16.5 p -108.5 154.54 21.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.824 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 618' ' ' SER . . . . . . . . . . . . . 81.2 p -41.9 -37.56 1.33 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.877 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 619' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -43.12 -67.65 0.26 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.887 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 620' ' ' VAL . . . . . 0.499 ' CG2' ' HB3' ' A' ' 616' ' ' PHE . 32.8 m -61.55 -29.81 46.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.107 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 621' ' ' LEU . . . . . 0.443 ' CD2' HD21 ' A' ' 651' ' ' LEU . 20.4 mt -62.16 -68.24 0.34 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 622' ' ' GLN . . . . . . . . . . . . . 3.5 mp0 -53.11 -44.61 67.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.933 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -52.65 -41.41 63.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.117 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 39.3 m -67.14 -69.16 0.33 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.825 -179.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 625' ' ' GLY . . . . . . . . . . . . . . . 125.58 -146.73 16.33 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.494 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 626' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -85.76 32.95 0.58 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.862 0.363 . . . . 0.0 110.869 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 39.7 mttp -146.92 121.08 9.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -74.37 118.68 71.79 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.661 0.743 . . . . 0.0 110.933 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 629' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 117.28 4.99 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.722 2.282 . . . . 0.0 112.342 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 630' ' ' VAL . . . . . . . . . . . . . 33.7 t -76.31 123.89 33.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.142 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 631' ' ' THR . . . . . 0.419 HG22 ' CB ' ' A' ' 684' ' ' GLN . 11.1 p -132.27 159.28 39.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.145 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 632' ' ' PHE . . . . . 0.649 ' CE1' ' NE2' ' A' ' 683' ' ' HIS . 39.5 p90 -144.31 136.96 26.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.851 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 633' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -97.7 162.62 13.19 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.868 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 634' ' ' THR . . . . . . . . . . . . . 32.5 p -154.39 136.86 15.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.11 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 635' ' ' TYR . . . . . 0.481 ' CD1' HD11 ' A' ' 680' ' ' LEU . 36.0 p90 -173.89 176.65 2.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.921 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 636' ' ' ALA . . . . . . . . . . . . . . . -151.65 161.8 42.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.109 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 637' ' ' PHE . . . . . 0.573 ' CD1' HD12 ' A' ' 609' ' ' ILE . 20.9 t80 -110.04 151.92 26.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.841 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 638' ' ' TYR . . . . . 0.47 ' CG ' HG13 ' A' ' 663' ' ' VAL . 4.0 t80 47.02 30.57 1.31 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.958 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 639' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 56.88 40.83 28.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.855 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 640' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -91.14 179.13 5.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -43.27 130.45 4.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.898 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 642' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -72.77 111.64 8.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.882 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 643' ' ' GLN . . . . . . . . . . . . . 6.8 mm-40 -98.96 133.49 43.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 644' ' ' THR . . . . . . . . . . . . . 98.2 m -93.16 128.19 39.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.134 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 645' ' ' THR . . . . . . . . . . . . . 16.6 p -69.54 151.88 96.5 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.622 0.725 . . . . 0.0 111.1 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 646' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 124.12 10.75 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.686 2.257 . . . . 0.0 112.316 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 647' ' ' VAL . . . . . 0.422 ' C ' HG22 ' A' ' 648' ' ' VAL . 18.8 t -68.8 140.4 18.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.163 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 648' ' ' VAL . . . . . 0.462 HG13 ' N ' ' A' ' 649' ' ' ARG . 58.8 t -140.69 138.73 35.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.139 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 649' ' ' ARG . . . . . 0.462 ' N ' HG13 ' A' ' 648' ' ' VAL . 76.9 mtm-85 -84.89 121.12 27.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.831 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 650' ' ' GLY . . . . . . . . . . . . . . . 142.94 170.26 12.79 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.474 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 651' ' ' LEU . . . . . 0.443 HD21 ' CD2' ' A' ' 621' ' ' LEU . 16.6 mt -88.91 -44.7 10.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.835 0.35 . . . . 0.0 110.905 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 652' ' ' HIS . . . . . . . . . . . . . 10.9 m-70 -113.26 67.56 1.17 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.54 0.686 . . . . 0.0 110.862 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 653' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 177.53 5.49 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.689 2.259 . . . . 0.0 112.338 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 654' ' ' GLU . . . . . 0.453 ' O ' ' C ' ' A' ' 655' ' ' TYR . 20.4 mt-10 -131.61 64.75 1.58 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.888 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 655' ' ' TYR . . . . . 0.453 ' C ' ' O ' ' A' ' 654' ' ' GLU . 89.8 m-85 -34.22 -62.15 0.34 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.966 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 656' ' ' ASN . . . . . 0.552 ' HA ' ' CE1' ' A' ' 610' ' ' HIS . 4.9 m-80 58.07 40.37 25.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.901 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 657' ' ' PHE . . . . . . . . . . . . . 36.5 t80 -88.58 141.7 28.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 26.9 m -119.18 126.4 51.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.128 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 1.1 t -119.1 128.6 54.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.846 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -120.58 113.6 20.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.859 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 661' ' ' TYR . . . . . . . . . . . . . 47.8 m-85 -124.53 112.15 16.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.95 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 662' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.78 111.4 7.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 663' ' ' VAL . . . . . 0.47 HG13 ' CG ' ' A' ' 638' ' ' TYR . 7.2 m -123.61 133.21 69.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.12 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 664' ' ' HIS . . . . . . . . . . . . . 16.3 p80 -107.43 97.47 7.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 665' ' ' VAL . . . . . 0.453 HG23 ' N ' ' A' ' 666' ' ' ASN . 6.8 p -175.38 154.28 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.099 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 666' ' ' ASN . . . . . 0.453 ' N ' HG23 ' A' ' 665' ' ' VAL . 34.1 m-80 -130.54 -71.14 0.59 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.86 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 667' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -64.38 -53.64 45.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.841 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 668' ' ' LEU . . . . . 0.406 ' HB2' ' CG2' ' A' ' 665' ' ' VAL . 11.1 mp -60.88 -15.13 27.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.898 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 669' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -68.84 -31.42 70.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.871 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 670' ' ' LEU . . . . . 0.423 ' O ' ' N ' ' A' ' 672' ' ' TYR . 48.5 mt -80.6 -63.38 1.42 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.876 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 671' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -40.25 -27.59 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.93 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 672' ' ' TYR . . . . . 0.423 ' N ' ' O ' ' A' ' 670' ' ' LEU . 28.0 t80 -71.88 -56.86 4.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 -179.856 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 673' ' ' ILE . . . . . 0.456 ' CD1' HD13 ' A' ' 703' ' ' ILE . 61.7 mt -59.57 -35.54 59.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.113 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 674' ' ' GLN . . . . . 0.448 ' HG3' ' CD2' ' A' ' 704' ' ' LEU . 19.5 mt-30 -71.3 -62.42 1.41 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 675' ' ' LYS . . . . . . . . . . . . . 50.8 mttp -57.87 -64.47 0.9 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 676' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -105.79 163.12 12.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.883 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 677' ' ' THR . . . . . 0.435 HG23 ' CB ' ' A' ' 699' ' ' LYS . 30.2 p -140.55 173.61 11.32 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.104 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 678' ' ' ILE . . . . . 0.497 ' O ' ' N ' ' A' ' 698' ' ' LEU . 4.8 mp -88.43 143.22 11.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.086 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 35.4 m -116.74 106.94 14.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.139 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 680' ' ' LEU . . . . . 0.481 HD11 ' CD1' ' A' ' 635' ' ' TYR . 4.1 tt -118.15 106.44 12.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.941 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 681' ' ' GLU . . . . . 0.47 ' OE1' ' N ' ' A' ' 681' ' ' GLU . 3.4 mp0 -98.69 139.85 33.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.849 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 682' ' ' VAL . . . . . . . . . . . . . 93.3 t -97.57 98.15 7.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.119 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 683' ' ' HIS . . . . . 0.649 ' NE2' ' CE1' ' A' ' 632' ' ' PHE . 1.4 p-80 -97.44 129.79 44.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.808 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 684' ' ' GLN . . . . . 0.419 ' CB ' HG22 ' A' ' 631' ' ' THR . 42.8 tt0 -88.65 141.51 28.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.891 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -113.84 131.43 56.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.115 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 686' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -96.41 168.95 10.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.94 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 687' ' ' SER . . . . . . . . . . . . . 12.9 t -62.53 -6.81 3.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.851 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 688' ' ' THR . . . . . . . . . . . . . 35.2 p -119.49 -73.03 0.66 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.119 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 689' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -116.77 -176.02 2.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.848 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 690' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -145.66 141.39 28.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.912 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 691' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -149.71 155.61 40.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.911 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 692' ' ' THR . . . . . . . . . . . . . 51.8 m -72.12 134.71 45.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.147 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 693' ' ' ILE . . . . . . . . . . . . . 7.6 pt -124.37 -23.71 2.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.144 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -139.5 147.75 41.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.083 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 695' ' ' ALA . . . . . . . . . . . . . . . -145.87 124.2 12.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.135 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 696' ' ' CYS . . . . . . . . . . . . . 20.2 p -136.95 149.85 47.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.862 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 697' ' ' GLN . . . . . . . . . . . . . 15.7 mp0 -102.53 117.69 35.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.942 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 698' ' ' LEU . . . . . 0.497 ' N ' ' O ' ' A' ' 678' ' ' ILE . 54.0 mt -77.77 127.24 32.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 699' ' ' LYS . . . . . 0.435 ' CB ' HG23 ' A' ' 677' ' ' THR . 8.5 ptpt -155.37 137.31 14.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.898 179.796 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 700' ' ' PHE . . . . . 0.646 ' CD2' ' CD1' ' A' ' 733' ' ' PHE . 4.6 m-85 -112.67 125.01 53.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.853 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 701' ' ' HIS . . . . . . . . . . . . . 34.5 m-70 -89.15 -48.84 7.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.86 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 702' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -50.15 -40.54 46.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 703' ' ' ILE . . . . . 0.468 ' HB ' ' CE2' ' A' ' 733' ' ' PHE . 13.5 tt -47.68 -19.1 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.131 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 704' ' ' LEU . . . . . 0.448 ' CD2' ' HG3' ' A' ' 674' ' ' GLN . 19.7 mt -79.55 -37.78 35.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.94 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 705' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -89.28 -46.75 8.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.865 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 706' ' ' LYS . . . . . 0.436 ' C ' HD13 ' A' ' 710' ' ' ILE . 1.7 ptmm? -121.39 169.2 10.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 707' ' ' SER . . . . . . . . . . . . . 50.9 m -144.86 127.86 16.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.866 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 708' ' ' GLY . . . . . 0.407 ' O ' ' N ' ' A' ' 710' ' ' ILE . . . 130.27 -135.29 8.24 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.499 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 709' ' ' ARG . . . . . . . . . . . . . 13.6 ptt180 -64.83 75.27 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.809 0.337 . . . . 0.0 110.848 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 710' ' ' ILE . . . . . 0.436 HD13 ' C ' ' A' ' 706' ' ' LYS . 26.1 mt -112.99 132.37 61.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.124 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 711' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -98.64 149.83 22.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 712' ' ' CYS . . . . . . . . . . . . . 17.9 m -161.89 174.97 12.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.862 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 713' ' ' THR . . . . . . . . . . . . . 24.6 p -148.7 167.58 25.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.126 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 714' ' ' ALA . . . . . . . . . . . . . . . -141.78 145.1 34.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.089 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 715' ' ' SER . . . . . . . . . . . . . 78.1 p -92.94 141.6 28.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 716' ' ' LEU . . . . . . . . . . . . . 20.4 mt -106.28 149.35 26.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.904 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 717' ' ' ILE . . . . . 0.446 HG22 ' N ' ' A' ' 718' ' ' GLY . 4.8 mp -137.49 144.99 30.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.121 179.83 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 718' ' ' GLY . . . . . 0.446 ' N ' HG22 ' A' ' 717' ' ' ILE . . . -85.07 149.75 24.31 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.493 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 719' ' ' THR . . . . . . . . . . . . . 43.7 p -91.19 -41.99 10.69 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.809 0.337 . . . . 0.0 111.123 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 720' ' ' LYS . . . . . 0.466 ' HE3' ' N ' ' A' ' 721' ' ' GLY . 0.0 OUTLIER -107.54 23.68 14.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.922 179.884 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 721' ' ' GLY . . . . . 0.466 ' N ' ' HE3' ' A' ' 720' ' ' LYS . . . -141.96 -34.1 0.11 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.471 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 722' ' ' ASP . . . . . . . . . . . . . 12.0 t70 67.33 34.99 4.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.82 0.343 . . . . 0.0 110.89 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 723' ' ' ILE . . . . . . . . . . . . . 72.7 mt -94.45 106.55 24.22 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.64 0.733 . . . . 0.0 111.148 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 724' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -27.12 26.93 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.7 2.267 . . . . 0.0 112.334 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 725' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -94.4 34.74 1.26 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.858 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 726' ' ' PHE . . . . . 0.412 ' CE1' HG11 ' A' ' 620' ' ' VAL . 4.1 t80 -61.23 -43.7 98.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 727' ' ' GLY . . . . . . . . . . . . . . . 158.81 154.24 7.12 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.479 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 728' ' ' THR . . . . . . . . . . . . . 15.0 m -105.53 148.49 27.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.84 0.353 . . . . 0.0 111.134 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 729' ' ' VAL . . . . . 0.413 HG23 ' N ' ' A' ' 730' ' ' GLU . 7.6 p -109.72 138.6 36.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.099 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 730' ' ' GLU . . . . . 0.413 ' N ' HG23 ' A' ' 729' ' ' VAL . 8.9 mm-40 -109.33 136.29 49.01 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.891 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 731' ' ' TYR . . . . . . . . . . . . . 19.8 p90 -159.33 176.47 12.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.876 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 732' ' ' TRP . . . . . . . . . . . . . 60.0 p-90 -155.4 121.0 4.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.924 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 733' ' ' PHE . . . . . 0.646 ' CD1' ' CD2' ' A' ' 700' ' ' PHE . 30.8 p90 -105.98 147.77 28.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.868 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 734' ' ' ARG . . . . . . . . . . . . . 5.5 ptm180 -135.11 121.8 20.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.92 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 735' ' ' LEU . . . . . . . . . . . . . 42.1 tp -114.61 105.34 12.96 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.935 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 736' ' ' ARG . . . . . . . . . . . . . 2.7 tpm_? -154.75 151.17 28.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 737' ' ' VAL . . . . . . . . . . . . . 13.5 p -44.68 146.87 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.142 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 738' ' ' SER . . . . . . . . . . . . . 11.7 t -83.7 141.59 31.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.858 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 739' ' ' GLY . . . . . . . . . . . . . . . -136.24 -179.73 16.98 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.528 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 740' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 107.1 1.78 Allowed 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.756 2.304 . . . . 0.0 112.354 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 8.9 t -60.64 -59.24 5.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.916 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 94.2 p -50.42 -47.48 56.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.863 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 743' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.469 179.972 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 588' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 2.8 p -75.83 -34.12 60.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.838 0.351 . . . . 0.0 110.871 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 590' ' ' SER . . . . . . . . . . . . . 1.7 t 50.64 46.91 25.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.882 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 591' ' ' GLY . . . . . . . . . . . . . . . -165.58 133.62 3.02 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.504 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 2.1 m -61.55 148.75 41.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.906 0.384 . . . . 0.0 110.808 -179.71 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 21.6 m -118.56 165.09 14.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.874 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 594' ' ' GLY . . . . . . . . . . . . . . . -113.72 176.15 16.98 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.517 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 595' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -131.25 140.36 49.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.775 0.322 . . . . 0.0 110.875 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 596' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -133.13 122.12 23.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.93 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 597' ' ' THR . . . . . . . . . . . . . 39.0 p -110.08 113.18 25.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.155 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 598' ' ' ILE . . . . . . . . . . . . . 33.4 mt -96.19 -49.81 11.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.099 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 599' ' ' HIS . . . . . . . . . . . . . 31.7 m80 -118.03 132.95 56.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.871 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 600' ' ' LEU . . . . . 0.508 ' CD1' ' NH2' ' A' ' 602' ' ' ARG . 4.4 mm? -69.99 116.56 10.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 601' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -101.55 -11.93 18.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.892 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 602' ' ' ARG . . . . . 0.508 ' NH2' ' CD1' ' A' ' 600' ' ' LEU . 0.1 OUTLIER -57.57 92.87 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.861 -179.885 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 603' ' ' GLY . . . . . . . . . . . . . . . 171.43 -90.22 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.482 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 604' ' ' GLU . . . . . . . . . . . . . 35.6 mp0 -135.39 144.09 46.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.861 0.362 . . . . 0.0 110.918 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 605' ' ' ASN . . . . . . . . . . . . . 11.9 m-20 -122.48 144.39 49.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.887 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 606' ' ' LEU . . . . . 0.408 ' CD2' ' HB2' ' A' ' 660' ' ' GLN . 3.4 tt -130.08 130.1 44.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 607' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -111.85 122.46 47.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 608' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -113.8 128.88 56.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.857 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 609' ' ' ILE . . . . . . . . . . . . . 56.4 mt -125.88 106.96 16.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.185 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 610' ' ' HIS . . . . . 0.401 ' HB3' ' CE2' ' A' ' 732' ' ' TRP . 6.9 t-80 -115.11 134.43 55.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 22.3 mm -100.76 125.0 54.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.115 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 612' ' ' ASN . . . . . . . . . . . . . 14.3 m-20 -78.38 -66.54 0.84 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 613' ' ' LYS . . . . . . . . . . . . . 12.9 pttp -169.54 176.85 4.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 614' ' ' VAL . . . . . . . . . . . . . 41.7 t -122.6 119.23 57.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.139 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 615' ' ' THR . . . . . . . . . . . . . 27.7 m -90.65 145.44 24.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.137 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 616' ' ' PHE . . . . . 0.467 ' HB3' ' CG2' ' A' ' 620' ' ' VAL . 25.3 m-85 -121.83 166.82 13.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.869 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 1.5 t -108.51 152.46 24.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.867 -179.76 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 618' ' ' SER . . . . . . . . . . . . . 92.6 p -42.07 -27.25 0.12 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.862 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 619' ' ' GLU . . . . . . . . . . . . . 63.7 mm-40 -50.39 -69.74 0.1 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 620' ' ' VAL . . . . . 0.467 ' CG2' ' HB3' ' A' ' 616' ' ' PHE . 16.1 m -57.58 -31.52 39.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.134 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 621' ' ' LEU . . . . . 0.561 ' CD2' ' CD2' ' A' ' 651' ' ' LEU . 19.4 mt -58.97 -52.68 64.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 622' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -65.68 -52.53 50.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.922 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -54.58 -37.28 65.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.076 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 3.3 m -65.61 -75.14 0.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.848 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 625' ' ' GLY . . . . . . . . . . . . . . . 124.24 -144.87 15.63 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.487 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 626' ' ' ASP . . . . . . . . . . . . . 40.9 m-20 -86.11 33.72 0.61 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.806 0.336 . . . . 0.0 110.846 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 16.7 ptpt -136.6 177.54 7.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -131.3 122.86 19.28 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.672 0.748 . . . . 0.0 110.917 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 629' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 120.15 6.98 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.681 2.254 . . . . 0.0 112.376 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 630' ' ' VAL . . . . . . . . . . . . . 38.9 t -90.38 110.36 21.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.161 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 631' ' ' THR . . . . . . . . . . . . . 6.1 p -130.47 173.28 11.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.211 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 632' ' ' PHE . . . . . 0.449 ' CE2' ' CE1' ' A' ' 683' ' ' HIS . 6.1 p90 -152.88 152.05 31.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.885 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 633' ' ' CYS . . . . . . . . . . . . . 80.7 m -97.7 143.28 28.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 634' ' ' THR . . . . . . . . . . . . . 13.2 p -142.07 130.59 22.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.132 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 635' ' ' TYR . . . . . . . . . . . . . 16.3 p90 -172.02 170.46 5.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.938 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 636' ' ' ALA . . . . . . . . . . . . . . . -123.69 158.42 31.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.089 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 637' ' ' PHE . . . . . . . . . . . . . 83.8 t80 -112.98 144.2 42.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.866 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 638' ' ' TYR . . . . . 0.516 ' HB3' ' CE2' ' A' ' 640' ' ' PHE . 8.1 t80 39.18 37.86 0.28 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.911 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 639' ' ' ASP . . . . . . . . . . . . . 31.7 m-20 58.87 48.92 10.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.829 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 640' ' ' PHE . . . . . 0.516 ' CE2' ' HB3' ' A' ' 638' ' ' TYR . 17.3 m-85 -110.15 -177.75 3.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.837 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -46.93 143.51 2.9 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.937 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 642' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -73.2 114.0 10.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.941 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 643' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -91.54 120.17 32.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 644' ' ' THR . . . . . . . . . . . . . 98.7 m -99.07 120.78 40.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.13 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 645' ' ' THR . . . . . . . . . . . . . 35.8 p -74.29 153.23 88.17 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.548 0.689 . . . . 0.0 111.176 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 646' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 129.14 17.04 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.643 2.229 . . . . 0.0 112.341 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 647' ' ' VAL . . . . . . . . . . . . . 24.4 t -69.32 139.5 20.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.095 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 59.3 t -142.66 136.18 27.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.139 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 649' ' ' ARG . . . . . . . . . . . . . 29.3 mtt180 -85.13 112.16 20.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.85 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 650' ' ' GLY . . . . . . . . . . . . . . . 159.5 166.63 18.82 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.516 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 651' ' ' LEU . . . . . 0.561 ' CD2' ' CD2' ' A' ' 621' ' ' LEU . 5.0 mp -95.46 -31.82 13.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.808 0.337 . . . . 0.0 110.904 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 652' ' ' HIS . . . . . . . . . . . . . 9.4 m-70 -129.75 57.05 27.94 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.606 0.717 . . . . 0.0 110.875 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 653' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 -178.33 2.27 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.717 2.278 . . . . 0.0 112.329 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -131.69 76.43 1.71 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 655' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -43.08 -53.17 5.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.903 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 57.84 37.44 26.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.833 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 657' ' ' PHE . . . . . 0.544 ' CZ ' ' OG ' ' A' ' 659' ' ' SER . 10.2 t80 -87.01 142.96 27.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.879 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 7.3 m -128.16 110.42 12.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.166 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 659' ' ' SER . . . . . 0.544 ' OG ' ' CZ ' ' A' ' 657' ' ' PHE . 3.5 m -120.85 108.43 13.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.85 -179.835 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 660' ' ' GLN . . . . . 0.408 ' HB2' ' CD2' ' A' ' 606' ' ' LEU . 15.4 pt20 -145.55 146.63 31.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.971 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 661' ' ' TYR . . . . . . . . . . . . . 68.5 m-85 -154.62 150.63 27.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.939 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 662' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -72.44 105.6 4.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.949 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 663' ' ' VAL . . . . . . . . . . . . . 9.7 m -107.53 123.4 62.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.091 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 664' ' ' HIS . . . . . . . . . . . . . 44.7 m-70 -87.22 100.72 12.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.868 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 665' ' ' VAL . . . . . . . . . . . . . 3.8 p -149.9 174.65 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.097 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 666' ' ' ASN . . . . . 0.483 ' O ' ' N ' ' A' ' 668' ' ' LEU . 6.1 m120 -126.62 -174.7 3.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.888 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 667' ' ' ASP . . . . . 0.431 ' C ' ' O ' ' A' ' 666' ' ' ASN . 7.5 t70 -34.93 -33.0 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 668' ' ' LEU . . . . . 0.483 ' N ' ' O ' ' A' ' 666' ' ' ASN . 55.0 mt -40.36 -47.36 2.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 669' ' ' PHE . . . . . . . . . . . . . 24.6 t80 -44.32 -54.13 6.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 670' ' ' LEU . . . . . 0.448 ' CD2' ' O ' ' A' ' 703' ' ' ILE . 80.5 mt -45.14 -52.89 8.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.928 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 671' ' ' GLN . . . . . 0.416 ' O ' ' CG ' ' A' ' 674' ' ' GLN . 74.6 mt-30 -46.75 -58.43 3.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.935 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 672' ' ' TYR . . . . . 0.506 ' CD1' ' C ' ' A' ' 672' ' ' TYR . 0.2 OUTLIER -37.94 -39.43 0.38 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.91 -179.882 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 673' ' ' ILE . . . . . . . . . . . . . 5.3 mm -53.61 -51.65 40.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.141 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 674' ' ' GLN . . . . . 0.416 ' CG ' ' O ' ' A' ' 671' ' ' GLN . 4.8 pt20 -73.58 -34.67 65.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.925 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 675' ' ' LYS . . . . . . . . . . . . . 23.6 mtpp -72.46 -71.81 0.27 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.885 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 676' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -116.93 128.79 55.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 23.3 p -101.16 178.2 4.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.114 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 678' ' ' ILE . . . . . . . . . . . . . 4.5 mp -94.24 138.43 20.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.163 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 6.3 m -110.45 100.8 9.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.13 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 680' ' ' LEU . . . . . . . . . . . . . 7.1 tt -107.16 114.86 29.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.913 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 681' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -107.91 144.21 35.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.869 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 682' ' ' VAL . . . . . . . . . . . . . 83.1 t -110.64 112.35 40.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.13 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 683' ' ' HIS . . . . . 0.449 ' CE1' ' CE2' ' A' ' 632' ' ' PHE . 0.1 OUTLIER -106.15 155.5 19.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.858 179.936 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 684' ' ' GLN . . . . . 0.422 ' HG3' ' CD1' ' A' ' 693' ' ' ILE . 18.8 mt-30 -92.37 154.16 18.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.884 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -108.39 109.12 20.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.135 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 686' ' ' TYR . . . . . 0.448 ' O ' ' C ' ' A' ' 687' ' ' SER . 10.5 m-85 -95.84 168.08 10.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.975 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 687' ' ' SER . . . . . 0.448 ' C ' ' O ' ' A' ' 686' ' ' TYR . 60.6 p -34.54 -73.58 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.832 -179.814 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 688' ' ' THR . . . . . . . . . . . . . 2.3 t -125.59 14.17 8.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.144 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 689' ' ' GLU . . . . . 0.443 ' CG ' ' HB2' ' A' ' 686' ' ' TYR . 3.3 pt-20 -128.95 167.97 16.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.931 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 690' ' ' TYR . . . . . 0.403 ' CG ' ' C ' ' A' ' 689' ' ' GLU . 0.7 OUTLIER -154.11 138.54 16.76 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.943 -179.873 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 691' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -149.42 150.28 32.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.886 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 692' ' ' THR . . . . . . . . . . . . . 5.7 m -73.73 133.9 43.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.11 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 693' ' ' ILE . . . . . 0.451 HG13 ' N ' ' A' ' 694' ' ' ALA . 10.9 pt -117.75 -28.74 2.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.179 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 694' ' ' ALA . . . . . 0.451 ' N ' HG13 ' A' ' 693' ' ' ILE . . . -142.48 152.64 42.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.09 179.8 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 695' ' ' ALA . . . . . . . . . . . . . . . -150.42 133.52 16.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.121 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 696' ' ' CYS . . . . . . . . . . . . . 20.0 p -153.35 178.63 9.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 697' ' ' GLN . . . . . 0.528 ' N ' ' CD ' ' A' ' 697' ' ' GLN . 0.0 OUTLIER -130.19 140.52 50.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.935 -179.924 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 698' ' ' LEU . . . . . . . . . . . . . 32.4 mt -94.87 104.63 16.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 699' ' ' LYS . . . . . . . . . . . . . 7.9 ptpt -124.3 130.05 51.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 179.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 700' ' ' PHE . . . . . 0.556 ' CD2' ' CD1' ' A' ' 733' ' ' PHE . 2.4 m-85 -110.29 125.16 52.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.865 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 701' ' ' HIS . . . . . . . . . . . . . 40.1 m-70 -88.57 -51.56 5.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.886 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 702' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -52.39 -24.09 7.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.868 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 703' ' ' ILE . . . . . 0.448 ' O ' ' CD2' ' A' ' 670' ' ' LEU . 13.0 tt -66.14 -4.24 2.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.141 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 704' ' ' LEU . . . . . . . . . . . . . 29.3 mt -91.7 -29.16 16.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.935 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 705' ' ' GLU . . . . . 0.455 ' CG ' ' N ' ' A' ' 706' ' ' LYS . 6.6 pt-20 -107.14 -46.26 3.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.876 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 706' ' ' LYS . . . . . 0.455 ' N ' ' CG ' ' A' ' 705' ' ' GLU . 4.9 ptpp? -111.94 140.51 46.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 707' ' ' SER . . . . . . . . . . . . . 93.7 p -124.13 114.41 19.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.828 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 708' ' ' GLY . . . . . 0.445 ' O ' ' N ' ' A' ' 710' ' ' ILE . . . 132.95 -145.86 17.81 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.517 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 709' ' ' ARG . . . . . . . . . . . . . 5.7 tmm_? -44.7 93.46 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.833 0.349 . . . . 0.0 110.852 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 710' ' ' ILE . . . . . 0.445 ' N ' ' O ' ' A' ' 708' ' ' GLY . 25.5 mt -139.28 147.39 24.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.091 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 711' ' ' PHE . . . . . . . . . . . . . 80.2 m-85 -114.06 139.44 49.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 712' ' ' CYS . . . . . . . . . . . . . 13.4 t -156.4 163.4 39.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.85 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 713' ' ' THR . . . . . . . . . . . . . 34.2 p -142.03 163.52 32.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.142 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 714' ' ' ALA . . . . . . . . . . . . . . . -131.65 161.73 32.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.091 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 715' ' ' SER . . . . . . . . . . . . . 45.9 t -103.34 137.83 40.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 716' ' ' LEU . . . . . . . . . . . . . 19.1 mt -107.93 138.07 44.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.902 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 717' ' ' ILE . . . . . . . . . . . . . 4.0 mp -123.18 142.67 38.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.096 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 718' ' ' GLY . . . . . . . . . . . . . . . -88.72 150.67 21.82 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.503 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 719' ' ' THR . . . . . . . . . . . . . 79.9 p -91.22 -70.98 0.66 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.847 0.356 . . . . 0.0 111.123 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 720' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -77.3 56.12 1.3 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 721' ' ' GLY . . . . . . . . . . . . . . . 176.14 -26.69 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.467 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 722' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 59.59 53.55 4.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.747 0.308 . . . . 0.0 110.873 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 723' ' ' ILE . . . . . . . . . . . . . 79.1 mt -103.85 106.72 54.04 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.625 0.726 . . . . 0.0 111.154 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 724' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -34.27 15.06 Favored 'Trans proline' 0 N--CA 1.465 -0.178 0 C-N-CA 122.752 2.301 . . . . 0.0 112.338 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 725' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -93.85 29.86 1.97 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 726' ' ' PHE . . . . . 0.404 ' CZ ' HG12 ' A' ' 620' ' ' VAL . 25.2 t80 -52.37 -46.87 66.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 727' ' ' GLY . . . . . . . . . . . . . . . 171.99 178.8 42.51 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.49 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 728' ' ' THR . . . . . . . . . . . . . 2.6 m -131.52 145.73 51.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.85 0.357 . . . . 0.0 111.14 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 729' ' ' VAL . . . . . 0.504 HG11 ' CE2' ' A' ' 731' ' ' TYR . 8.8 p -107.77 129.66 61.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.154 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -105.68 129.66 53.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 731' ' ' TYR . . . . . 0.504 ' CE2' HG11 ' A' ' 729' ' ' VAL . 0.9 OUTLIER -157.97 168.23 27.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.936 -179.866 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 732' ' ' TRP . . . . . 0.401 ' CE2' ' HB3' ' A' ' 610' ' ' HIS . 63.7 p-90 -141.49 134.9 29.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.906 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 733' ' ' PHE . . . . . 0.556 ' CD1' ' CD2' ' A' ' 700' ' ' PHE . 31.0 p90 -118.89 148.32 43.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.866 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 734' ' ' ARG . . . . . . . . . . . . . 18.9 ttm180 -147.05 113.14 5.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.872 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 735' ' ' LEU . . . . . . . . . . . . . 25.5 tp -115.35 106.77 14.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 736' ' ' ARG . . . . . . . . . . . . . 33.3 mmm-85 -148.2 161.36 41.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 737' ' ' VAL . . . . . . . . . . . . . 9.0 p -60.84 132.5 26.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.099 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 738' ' ' SER . . . . . . . . . . . . . 11.2 t -125.08 141.84 51.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.884 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 739' ' ' GLY . . . . . . . . . . . . . . . -51.48 142.56 19.28 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.481 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 740' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 96.23 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.686 2.257 . . . . 0.0 112.361 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 30.3 p -124.04 -28.35 3.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.846 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 50.8 m -100.69 135.47 42.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.876 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 743' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.52 179.984 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 588' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 6.1 m -49.5 -61.64 1.99 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.846 0.355 . . . . 0.0 110.855 -179.724 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 590' ' ' SER . . . . . . . . . . . . . 7.3 t -73.69 108.78 6.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 591' ' ' GLY . . . . . . . . . . . . . . . -103.64 151.01 17.7 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.509 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 78.4 p -143.58 174.2 10.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.864 0.364 . . . . 0.0 110.875 -179.732 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 53.3 m -117.61 -61.46 1.69 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.845 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 594' ' ' GLY . . . . . . . . . . . . . . . 140.12 -113.76 0.92 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.433 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 595' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -159.51 164.08 34.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.773 0.321 . . . . 0.0 110.89 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 596' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -152.04 128.83 10.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.879 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 597' ' ' THR . . . . . . . . . . . . . 11.9 t -143.96 151.35 39.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.152 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 598' ' ' ILE . . . . . 0.456 ' O ' ' CG ' ' A' ' 599' ' ' HIS . 18.8 mm -99.73 -60.78 2.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.132 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 599' ' ' HIS . . . . . 0.456 ' CG ' ' O ' ' A' ' 598' ' ' ILE . 81.4 m-70 -162.29 128.43 3.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.818 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 600' ' ' LEU . . . . . 0.462 HD22 ' N ' ' A' ' 600' ' ' LEU . 4.4 mm? -76.33 133.04 40.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.901 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 601' ' ' GLU . . . . . 0.534 ' HG3' ' N ' ' A' ' 602' ' ' ARG . 0.3 OUTLIER -108.8 150.31 27.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.932 179.893 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 602' ' ' ARG . . . . . 0.534 ' N ' ' HG3' ' A' ' 601' ' ' GLU . 1.9 mmp_? -90.99 145.46 24.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.866 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 603' ' ' GLY . . . . . . . . . . . . . . . 174.14 -134.17 2.76 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.462 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 604' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -66.54 171.25 5.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.895 0.379 . . . . 0.0 110.86 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 605' ' ' ASN . . . . . . . . . . . . . 19.9 m-80 -128.99 131.33 47.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.904 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 606' ' ' LEU . . . . . . . . . . . . . 53.1 tp -121.54 115.91 23.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.94 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 607' ' ' PHE . . . . . 0.794 ' CD2' ' CE2' ' A' ' 637' ' ' PHE . 7.6 t80 -110.79 132.71 53.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 608' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -147.08 133.71 19.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 609' ' ' ILE . . . . . . . . . . . . . 5.4 mp -115.48 116.26 51.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.156 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 610' ' ' HIS . . . . . 0.528 ' CE1' ' HA ' ' A' ' 656' ' ' ASN . 12.4 t60 -102.13 103.26 13.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 611' ' ' ILE . . . . . 0.479 HG22 ' CD2' ' A' ' 655' ' ' TYR . 48.8 mm -70.05 108.45 2.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.157 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 612' ' ' ASN . . . . . . . . . . . . . 36.3 t-20 -64.12 -66.33 0.56 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 613' ' ' LYS . . . . . . . . . . . . . 14.6 pttp -170.46 160.79 7.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 614' ' ' VAL . . . . . . . . . . . . . 11.0 p -106.1 124.22 61.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.089 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 615' ' ' THR . . . . . . . . . . . . . 41.7 m -94.37 148.6 22.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.127 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 616' ' ' PHE . . . . . 0.507 ' HB3' ' CG2' ' A' ' 620' ' ' VAL . 61.2 m-85 -127.73 151.01 49.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.862 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 617' ' ' SER . . . . . 0.449 ' O ' ' C ' ' A' ' 618' ' ' SER . 3.5 m -100.52 150.05 23.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.837 -179.762 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 618' ' ' SER . . . . . 0.449 ' C ' ' O ' ' A' ' 617' ' ' SER . 29.2 m -34.13 -39.65 0.08 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.833 -179.844 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 619' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -38.32 -67.27 0.21 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.917 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 620' ' ' VAL . . . . . 0.507 ' CG2' ' HB3' ' A' ' 616' ' ' PHE . 23.8 m -68.47 -46.46 80.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.13 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 621' ' ' LEU . . . . . 0.427 ' CD2' HD21 ' A' ' 651' ' ' LEU . 40.0 mt -43.26 -64.91 0.56 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 622' ' ' GLN . . . . . . . . . . . . . 34.7 mm-40 -51.46 -44.82 62.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -43.82 -46.59 7.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.129 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 13.3 t -69.02 -59.59 2.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.879 -179.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 625' ' ' GLY . . . . . . . . . . . . . . . 80.99 106.64 0.31 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.498 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 626' ' ' ASP . . . . . . . . . . . . . 14.6 t0 42.81 29.16 0.16 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.836 0.351 . . . . 0.0 110.858 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 22.3 mttm -143.76 142.19 30.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.911 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -112.02 116.77 49.06 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.649 0.738 . . . . 0.0 110.822 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 629' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 142.51 47.99 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.659 2.239 . . . . 0.0 112.339 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 630' ' ' VAL . . . . . . . . . . . . . 16.7 t -104.16 112.84 39.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.188 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 631' ' ' THR . . . . . . . . . . . . . 21.0 p -135.21 175.2 9.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.105 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 632' ' ' PHE . . . . . 0.712 ' CZ ' ' CD2' ' A' ' 683' ' ' HIS . 3.4 p90 -148.93 157.42 43.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 633' ' ' CYS . . . . . . . . . . . . . 89.4 m -108.56 137.22 46.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 634' ' ' THR . . . . . . . . . . . . . 41.1 p -138.69 127.42 23.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.089 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 635' ' ' TYR . . . . . . . . . . . . . 11.4 p90 -169.23 165.41 10.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 636' ' ' ALA . . . . . . . . . . . . . . . -118.24 161.96 19.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.125 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 637' ' ' PHE . . . . . 0.794 ' CE2' ' CD2' ' A' ' 607' ' ' PHE . 26.6 t80 -121.86 124.14 43.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.904 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 638' ' ' TYR . . . . . . . . . . . . . 7.1 t80 59.21 32.24 21.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.889 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 639' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 62.72 53.75 2.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 640' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -113.84 174.87 5.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -54.4 115.47 2.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.85 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 642' ' ' LEU . . . . . . . . . . . . . 2.1 tp -47.7 143.48 3.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.897 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 643' ' ' GLN . . . . . . . . . . . . . 2.7 tp60 -117.31 114.48 23.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.908 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 644' ' ' THR . . . . . . . . . . . . . 57.3 m -81.89 112.34 18.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.135 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 645' ' ' THR . . . . . . . . . . . . . 72.4 p -73.82 152.97 89.16 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.604 0.716 . . . . 0.0 111.115 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 646' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 122.68 9.35 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.665 2.243 . . . . 0.0 112.349 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 647' ' ' VAL . . . . . . . . . . . . . 74.7 t -68.25 132.46 32.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.119 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 78.7 t -131.37 130.74 63.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.094 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 649' ' ' ARG . . . . . . . . . . . . . 8.1 ptt180 -85.38 120.82 27.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.906 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 650' ' ' GLY . . . . . . . . . . . . . . . 147.87 146.12 4.29 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.457 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 651' ' ' LEU . . . . . 0.427 HD21 ' CD2' ' A' ' 621' ' ' LEU . 42.5 mt -61.04 -44.97 96.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.877 0.37 . . . . 0.0 110.914 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 652' ' ' HIS . . . . . . . . . . . . . 14.5 m-70 -113.9 75.65 2.96 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.557 0.694 . . . . 0.0 110.895 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 653' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 169.97 17.72 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.631 2.221 . . . . 0.0 112.322 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 31.9 mp0 -128.94 69.63 1.4 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.934 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 655' ' ' TYR . . . . . 0.479 ' CD2' HG22 ' A' ' 611' ' ' ILE . 68.3 m-85 -42.09 -65.16 0.49 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.943 -179.849 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 656' ' ' ASN . . . . . 0.528 ' HA ' ' CE1' ' A' ' 610' ' ' HIS . 24.3 m-80 50.24 41.91 24.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.856 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 657' ' ' PHE . . . . . . . . . . . . . 24.8 t80 -102.21 139.22 38.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.948 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 14.6 m -125.79 145.98 49.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.124 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 2.1 t -144.65 125.03 13.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -103.38 138.09 40.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.912 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 661' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -148.69 121.12 8.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.903 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 662' ' ' LEU . . . . . 0.423 ' C ' HD11 ' A' ' 662' ' ' LEU . 1.3 tm? -77.78 115.75 17.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.944 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 663' ' ' VAL . . . . . . . . . . . . . 20.3 m -124.46 115.58 45.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.129 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 664' ' ' HIS . . . . . 0.514 ' CG ' ' O ' ' A' ' 664' ' ' HIS . 47.7 p-80 -84.43 97.84 9.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 665' ' ' VAL . . . . . 0.472 ' CG2' ' HB2' ' A' ' 668' ' ' LEU . 9.8 p -174.97 152.14 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.145 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 666' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -130.74 -71.26 0.59 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.931 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 667' ' ' ASP . . . . . 0.401 ' C ' ' N ' ' A' ' 669' ' ' PHE . 0.5 OUTLIER -60.91 -63.49 1.28 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.865 179.918 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 668' ' ' LEU . . . . . 0.472 ' HB2' ' CG2' ' A' ' 665' ' ' VAL . 4.0 mm? -44.93 -22.36 0.09 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.907 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 669' ' ' PHE . . . . . 0.438 ' O ' ' CD2' ' A' ' 672' ' ' TYR . 1.0 OUTLIER -65.33 -49.34 69.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 670' ' ' LEU . . . . . . . . . . . . . 18.9 mt -78.83 -30.0 45.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.922 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 671' ' ' GLN . . . . . . . . . . . . . 58.5 mt-30 -63.64 -46.06 87.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.941 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 672' ' ' TYR . . . . . 0.657 ' CD1' ' C ' ' A' ' 672' ' ' TYR . 0.1 OUTLIER -65.23 -34.9 79.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 -179.851 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 673' ' ' ILE . . . . . 0.604 ' CG1' ' CZ ' ' A' ' 672' ' ' TYR . 75.2 mt -74.86 -37.36 41.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.093 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 674' ' ' GLN . . . . . 0.4 ' HG3' ' CD2' ' A' ' 704' ' ' LEU . 9.3 mt-30 -74.6 -45.06 47.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.951 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 675' ' ' LYS . . . . . . . . . . . . . 31.2 mttm -76.58 -68.55 0.58 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 676' ' ' ASN . . . . . . . . . . . . . 5.8 m-80 -97.34 175.22 6.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.899 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 4.4 p -140.61 175.36 9.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.179 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 678' ' ' ILE . . . . . . . . . . . . . 23.6 mt -94.88 143.28 12.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.149 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 28.2 m -117.73 111.16 18.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.14 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 680' ' ' LEU . . . . . . . . . . . . . 4.8 tt -115.48 109.71 18.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.999 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 681' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -101.0 144.62 29.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 682' ' ' VAL . . . . . . . . . . . . . 92.7 t -119.44 112.19 36.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.131 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 683' ' ' HIS . . . . . 0.712 ' CD2' ' CZ ' ' A' ' 632' ' ' PHE . 4.8 p-80 -105.36 163.51 12.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 684' ' ' GLN . . . . . 0.533 ' HB3' ' CE1' ' A' ' 686' ' ' TYR . 33.5 tt0 -100.26 152.58 20.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.958 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -96.64 123.52 40.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.045 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 686' ' ' TYR . . . . . 0.533 ' CE1' ' HB3' ' A' ' 684' ' ' GLN . 9.5 m-85 -116.34 168.41 10.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.962 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 687' ' ' SER . . . . . . . . . . . . . 32.8 p -38.52 -69.7 0.12 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.858 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 688' ' ' THR . . . . . . . . . . . . . 63.6 p -134.1 27.53 3.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.094 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 689' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -141.48 169.4 17.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.908 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 690' ' ' TYR . . . . . . . . . . . . . 37.4 m-85 -153.78 140.74 19.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 691' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -149.59 149.74 31.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.906 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 692' ' ' THR . . . . . . . . . . . . . 31.0 m -92.7 113.81 26.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.14 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 693' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -98.57 -16.77 6.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.139 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -138.07 161.01 37.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.095 179.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 695' ' ' ALA . . . . . . . . . . . . . . . -168.97 137.26 2.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.079 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 696' ' ' CYS . . . . . . . . . . . . . 18.0 p -151.33 178.7 9.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 697' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -131.66 116.42 17.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.931 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 698' ' ' LEU . . . . . . . . . . . . . 27.6 mt -74.89 138.02 42.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 699' ' ' LYS . . . . . . . . . . . . . 7.8 ptpp? -154.31 133.28 12.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.849 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 700' ' ' PHE . . . . . 0.578 ' CD1' ' CE1' ' A' ' 733' ' ' PHE . 3.3 m-85 -110.97 124.64 52.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.868 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 701' ' ' HIS . . . . . . . . . . . . . 40.9 m-70 -88.9 -47.08 8.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.86 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 702' ' ' GLU . . . . . 0.4 ' C ' ' N ' ' A' ' 704' ' ' LEU . 2.1 mp0 -53.38 -43.48 67.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.885 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 703' ' ' ILE . . . . . . . . . . . . . 13.4 tt -47.96 -18.46 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.15 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 704' ' ' LEU . . . . . 0.4 ' N ' ' C ' ' A' ' 702' ' ' GLU . 50.6 mt -76.29 -47.09 24.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.942 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 705' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -98.42 -48.9 4.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.914 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 706' ' ' LYS . . . . . . . . . . . . . 46.5 mttm -88.09 169.79 11.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.937 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 707' ' ' SER . . . . . . . . . . . . . 11.1 t -146.54 133.53 20.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.832 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 708' ' ' GLY . . . . . . . . . . . . . . . 113.39 -147.38 18.58 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.445 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 709' ' ' ARG . . . . . 0.422 ' C ' HG13 ' A' ' 710' ' ' ILE . 8.4 ptp180 -67.87 126.28 28.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.779 0.323 . . . . 0.0 110.866 -179.859 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 710' ' ' ILE . . . . . 0.422 HG13 ' C ' ' A' ' 709' ' ' ARG . 49.5 mt -145.08 132.54 16.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.099 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 711' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -84.69 132.64 34.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 712' ' ' CYS . . . . . . . . . . . . . 13.6 t -162.35 165.13 26.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 713' ' ' THR . . . . . . . . . . . . . 34.8 p -145.56 168.82 19.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.134 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 714' ' ' ALA . . . . . . . . . . . . . . . -139.13 146.37 40.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.131 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 715' ' ' SER . . . . . . . . . . . . . 3.2 t -90.45 151.58 21.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.831 -179.74 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 716' ' ' LEU . . . . . . . . . . . . . 9.0 mt -118.9 143.3 47.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.898 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 717' ' ' ILE . . . . . 0.402 HD12 ' N ' ' A' ' 717' ' ' ILE . 5.1 mp -129.31 147.9 33.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.118 179.846 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 718' ' ' GLY . . . . . . . . . . . . . . . -80.06 145.59 27.18 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.466 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 719' ' ' THR . . . . . . . . . . . . . 40.2 p -79.56 -57.54 3.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.86 0.362 . . . . 0.0 111.165 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 720' ' ' LYS . . . . . . . . . . . . . 22.7 mtmt -83.04 -47.88 11.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.93 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 721' ' ' GLY . . . . . . . . . . . . . . . -68.97 -27.67 73.7 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.515 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 722' ' ' ASP . . . . . . . . . . . . . 32.9 m-20 60.79 38.92 17.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.789 0.328 . . . . 0.0 110.882 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 723' ' ' ILE . . . . . . . . . . . . . 34.1 mt -90.0 116.61 66.78 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.673 0.749 . . . . 0.0 111.121 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 724' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 -33.81 15.73 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.645 2.23 . . . . 0.0 112.348 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 725' ' ' ASN . . . . . . . . . . . . . 76.1 m-20 -93.82 45.77 1.16 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 726' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -66.78 -44.14 82.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.854 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 727' ' ' GLY . . . . . . . . . . . . . . . 160.57 164.6 15.84 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.537 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 728' ' ' THR . . . . . . . . . . . . . 8.6 m -114.99 146.53 41.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.846 0.355 . . . . 0.0 111.167 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 729' ' ' VAL . . . . . . . . . . . . . 14.2 p -105.62 142.46 18.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.124 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -115.89 127.83 55.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.875 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 731' ' ' TYR . . . . . . . . . . . . . 3.1 p90 -157.6 174.56 15.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.949 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 732' ' ' TRP . . . . . 0.423 ' HE1' ' CD2' ' A' ' 610' ' ' HIS . 45.7 p-90 -155.21 123.67 5.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.91 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 733' ' ' PHE . . . . . 0.578 ' CE1' ' CD1' ' A' ' 700' ' ' PHE . 13.0 p90 -102.19 157.85 16.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.914 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 734' ' ' ARG . . . . . . . . . . . . . 24.7 ttp180 -144.79 117.47 8.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.863 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 735' ' ' LEU . . . . . . . . . . . . . 45.7 tp -116.21 104.77 11.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.95 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 736' ' ' ARG . . . . . . . . . . . . . 34.8 ttm180 -147.89 153.27 38.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 737' ' ' VAL . . . . . . . . . . . . . 10.0 p -47.36 151.21 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.154 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 738' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -130.41 31.65 4.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.843 -179.824 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 739' ' ' GLY . . . . . . . . . . . . . . . 68.51 133.84 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.534 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 740' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 167.51 24.27 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.657 2.238 . . . . 0.0 112.339 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 15.2 t -173.95 152.86 2.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.867 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 3.4 m 59.22 43.73 16.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.894 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 743' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.506 179.999 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 588' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 61.5 m -152.9 154.63 35.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.837 0.351 . . . . 0.0 110.893 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 590' ' ' SER . . . . . . . . . . . . . 3.6 m -108.38 177.44 4.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.884 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 591' ' ' GLY . . . . . . . . . . . . . . . -150.39 -175.42 22.44 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.517 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 71.2 p -110.88 170.7 7.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.905 0.383 . . . . 0.0 110.852 -179.725 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 35.9 t -44.16 161.18 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.821 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 594' ' ' GLY . . . . . . . . . . . . . . . -73.27 143.41 32.99 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.513 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 595' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -105.92 4.35 29.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.749 0.309 . . . . 0.0 110.87 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 596' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -88.82 42.63 1.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.913 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 597' ' ' THR . . . . . . . . . . . . . 64.5 p -107.86 114.54 28.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.2 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 598' ' ' ILE . . . . . . . . . . . . . 5.4 mp -44.45 -49.73 2.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.111 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 599' ' ' HIS . . . . . . . . . . . . . 15.6 m-70 -95.85 87.74 4.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.864 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 600' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -45.4 150.99 0.41 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 601' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -100.0 150.78 22.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 602' ' ' ARG . . . . . . . . . . . . . 3.9 ppt_? -143.77 152.83 41.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.857 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 603' ' ' GLY . . . . . . . . . . . . . . . 135.54 -115.26 1.33 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.495 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 604' ' ' GLU . . . . . 0.414 ' CD ' HD11 ' A' ' 662' ' ' LEU . 3.0 tp10 -45.6 121.63 3.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.855 0.359 . . . . 0.0 110.874 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 605' ' ' ASN . . . . . 0.451 ' ND2' ' OD1' ' A' ' 666' ' ' ASN . 90.8 m-20 -130.88 156.36 45.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.908 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 606' ' ' LEU . . . . . . . . . . . . . 6.5 tt -126.49 114.68 18.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 607' ' ' PHE . . . . . 0.504 ' CD2' ' CZ ' ' A' ' 637' ' ' PHE . 42.8 t80 -95.94 131.6 42.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.892 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 608' ' ' GLU . . . . . 0.449 ' OE2' ' CZ3' ' A' ' 732' ' ' TRP . 1.2 pp20? -141.18 139.03 33.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.863 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 609' ' ' ILE . . . . . . . . . . . . . 88.6 mt -119.96 125.77 74.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.13 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 610' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -125.44 106.52 9.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.842 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 44.0 mm -83.31 112.72 21.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.152 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 612' ' ' ASN . . . . . . . . . . . . . 32.0 m120 -67.13 -67.44 0.45 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 613' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.91 173.97 9.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.845 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 614' ' ' VAL . . . . . . . . . . . . . 87.3 t -128.15 136.32 60.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.142 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 615' ' ' THR . . . . . . . . . . . . . 26.1 m -107.78 143.16 36.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.178 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 616' ' ' PHE . . . . . 0.474 ' CD1' HG11 ' A' ' 620' ' ' VAL . 46.2 m-85 -117.46 155.23 30.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.91 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 617' ' ' SER . . . . . 0.449 ' CB ' ' O ' ' A' ' 725' ' ' ASN . 1.0 OUTLIER -99.94 154.22 18.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 -179.821 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 618' ' ' SER . . . . . 0.448 ' C ' ' O ' ' A' ' 617' ' ' SER . 32.4 m -34.14 -61.92 0.34 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.836 -179.846 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 619' ' ' GLU . . . . . . . . . . . . . 6.0 mp0 -39.3 -43.69 1.18 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.87 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 620' ' ' VAL . . . . . 0.483 HG23 ' CE1' ' A' ' 726' ' ' PHE . 10.1 t -79.03 -38.61 20.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.121 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 621' ' ' LEU . . . . . . . . . . . . . 69.8 mt -57.69 -49.2 77.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.928 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 622' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -65.08 -47.25 77.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -44.78 -45.35 9.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.102 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 60.0 p -60.54 -48.91 79.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.848 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 625' ' ' GLY . . . . . . . . . . . . . . . 95.14 -152.65 20.52 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.479 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 626' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -91.41 45.93 1.27 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.873 0.368 . . . . 0.0 110.872 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 10.2 ptpp? -142.66 172.64 12.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.935 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 628' ' ' GLU . . . . . 0.402 ' HA ' ' HD2' ' A' ' 629' ' ' PRO . 7.2 mp0 -113.32 93.13 25.12 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.595 0.712 . . . . 0.0 110.896 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 629' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 628' ' ' GLU . 54.0 Cg_endo -69.77 110.0 2.45 Favored 'Trans proline' 0 N--CA 1.465 -0.162 0 C-N-CA 122.695 2.263 . . . . 0.0 112.386 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 630' ' ' VAL . . . . . 0.455 HG11 ' CG1' ' A' ' 647' ' ' VAL . 13.2 t -74.42 133.45 31.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.153 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 631' ' ' THR . . . . . . . . . . . . . 43.9 p -142.12 162.56 35.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.114 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 632' ' ' PHE . . . . . 0.544 ' CE2' ' NE2' ' A' ' 683' ' ' HIS . 43.0 p90 -149.22 140.99 23.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.914 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 633' ' ' CYS . . . . . . . . . . . . . 73.6 m -89.77 155.26 19.31 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.907 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 634' ' ' THR . . . . . . . . . . . . . 45.6 p -146.43 122.82 10.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.124 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 635' ' ' TYR . . . . . . . . . . . . . 4.5 p90 -145.42 158.34 43.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 636' ' ' ALA . . . . . 0.42 ' CB ' HD21 ' A' ' 642' ' ' LEU . . . -119.47 158.39 26.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.073 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 637' ' ' PHE . . . . . 0.534 ' O ' ' C ' ' A' ' 638' ' ' TYR . 2.3 t80 -119.07 157.81 27.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 638' ' ' TYR . . . . . 0.609 ' O ' ' CD2' ' A' ' 640' ' ' PHE . 2.2 m-85 -25.96 108.71 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.935 -179.864 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 639' ' ' ASP . . . . . 0.446 ' C ' ' O ' ' A' ' 638' ' ' TYR . 2.4 m-20 34.78 54.07 0.67 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.819 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 640' ' ' PHE . . . . . 0.609 ' CD2' ' O ' ' A' ' 638' ' ' TYR . 20.0 m-85 -126.31 176.29 7.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.874 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -81.13 133.73 35.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.884 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 642' ' ' LEU . . . . . 0.443 HD12 ' N ' ' A' ' 643' ' ' GLN . 0.2 OUTLIER -55.58 110.47 0.71 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 643' ' ' GLN . . . . . 0.443 ' N ' HD12 ' A' ' 642' ' ' LEU . 7.0 tp-100 -81.26 115.78 20.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.961 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 644' ' ' THR . . . . . . . . . . . . . 92.9 m -96.07 113.22 24.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.124 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 645' ' ' THR . . . . . . . . . . . . . 2.6 p -60.54 157.54 36.04 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.539 0.685 . . . . 0.0 111.154 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 646' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 139.64 40.77 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.676 2.25 . . . . 0.0 112.366 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 647' ' ' VAL . . . . . 0.455 ' CG1' HG11 ' A' ' 630' ' ' VAL . 88.9 t -68.7 132.27 33.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.115 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 648' ' ' VAL . . . . . 0.563 HG23 ' CE1' ' A' ' 655' ' ' TYR . 8.4 m -144.74 125.86 8.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.059 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 649' ' ' ARG . . . . . . . . . . . . . 11.0 ptm180 -90.84 153.13 20.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.82 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 650' ' ' GLY . . . . . . . . . . . . . . . 123.78 -176.52 16.79 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.529 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 651' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -96.32 -58.79 1.98 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.845 0.355 . . . . 0.0 110.939 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 652' ' ' HIS . . . . . . . . . . . . . 10.9 m-70 -111.0 69.29 0.64 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.587 0.708 . . . . 0.0 110.897 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 653' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 170.05 17.53 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.683 2.255 . . . . 0.0 112.31 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 654' ' ' GLU . . . . . 0.441 ' O ' ' C ' ' A' ' 655' ' ' TYR . 29.4 mt-10 -126.3 70.5 1.24 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 655' ' ' TYR . . . . . 0.563 ' CE1' HG23 ' A' ' 648' ' ' VAL . 80.9 m-85 -34.36 -54.38 0.52 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.972 -179.862 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 31.4 m-20 50.27 35.05 9.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.91 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 657' ' ' PHE . . . . . 0.426 ' CZ ' ' HB3' ' A' ' 659' ' ' SER . 4.3 t80 -98.83 120.26 38.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 7.3 m -120.14 120.91 37.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.12 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 659' ' ' SER . . . . . 0.426 ' HB3' ' CZ ' ' A' ' 657' ' ' PHE . 24.7 p -102.82 164.32 11.7 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 -179.868 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 -140.53 130.01 24.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.907 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 661' ' ' TYR . . . . . . . . . . . . . 80.2 m-85 -154.7 136.61 14.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.927 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 662' ' ' LEU . . . . . 0.421 HD13 ' C ' ' A' ' 662' ' ' LEU . 1.1 tm? -94.98 121.82 36.98 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.939 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 663' ' ' VAL . . . . . . . . . . . . . 30.4 m -128.16 137.83 56.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.11 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 664' ' ' HIS . . . . . 0.465 ' H ' ' CD2' ' A' ' 664' ' ' HIS . 3.8 p80 -101.8 100.62 10.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.85 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 665' ' ' VAL . . . . . 0.458 HG23 ' N ' ' A' ' 666' ' ' ASN . 10.6 p -175.23 140.88 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.109 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 666' ' ' ASN . . . . . 0.458 ' N ' HG23 ' A' ' 665' ' ' VAL . 71.5 m-20 -131.71 -56.9 1.0 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 667' ' ' ASP . . . . . . . . . . . . . 36.3 m-20 -63.33 -57.16 11.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.897 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 668' ' ' LEU . . . . . 0.432 HD12 ' CD ' ' A' ' 671' ' ' GLN . 3.9 mm? -66.49 -16.56 64.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 669' ' ' PHE . . . . . 0.499 ' CZ ' HD12 ' A' ' 735' ' ' LEU . 9.0 t80 -74.87 -33.87 62.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.898 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 670' ' ' LEU . . . . . . . . . . . . . 42.8 mt -85.0 -66.2 0.92 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.913 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 671' ' ' GLN . . . . . 0.438 ' CG ' ' N ' ' A' ' 672' ' ' TYR . 17.9 pt20 -39.6 -53.65 2.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 672' ' ' TYR . . . . . 0.525 ' O ' ' N ' ' A' ' 676' ' ' ASN . 4.7 t80 -47.21 -52.65 15.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.933 -179.876 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 673' ' ' ILE . . . . . . . . . . . . . 25.2 mt -68.65 -30.5 47.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.131 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 674' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 -64.53 -48.32 75.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.875 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 675' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.12 -53.06 3.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.911 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 676' ' ' ASN . . . . . 0.525 ' N ' ' O ' ' A' ' 672' ' ' TYR . 34.9 m-20 -84.35 157.84 21.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.864 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 44.8 p -140.96 170.64 15.35 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.089 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 678' ' ' ILE . . . . . . . . . . . . . 5.2 mp -92.02 118.21 37.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.111 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 34.5 m -87.36 102.13 14.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.176 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 680' ' ' LEU . . . . . 0.44 ' HB3' ' CD1' ' A' ' 698' ' ' LEU . 7.3 tt -105.38 99.5 9.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.932 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 681' ' ' GLU . . . . . 0.478 ' OE1' ' N ' ' A' ' 681' ' ' GLU . 3.9 mp0 -94.21 137.38 33.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.865 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 682' ' ' VAL . . . . . . . . . . . . . 55.7 t -108.23 144.48 16.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.142 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 683' ' ' HIS . . . . . 0.544 ' NE2' ' CE2' ' A' ' 632' ' ' PHE . 1.3 p-80 -137.1 139.93 41.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.84 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 684' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -84.35 127.46 34.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -86.77 102.55 14.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.108 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 686' ' ' TYR . . . . . 0.541 ' CD2' ' O ' ' A' ' 689' ' ' GLU . 2.9 m-85 -81.02 163.38 23.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.934 -179.861 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 687' ' ' SER . . . . . . . . . . . . . 21.0 p -67.45 -5.1 13.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.9 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 688' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -124.38 -55.31 1.65 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.134 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 689' ' ' GLU . . . . . 0.541 ' O ' ' CD2' ' A' ' 686' ' ' TYR . 1.3 tp10 -134.36 -178.4 5.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.869 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 690' ' ' TYR . . . . . 0.42 ' CD1' ' C ' ' A' ' 689' ' ' GLU . 0.5 OUTLIER -139.4 117.14 11.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.916 -179.859 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 691' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -126.67 153.04 45.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.894 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 692' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -70.33 140.62 52.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.151 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 693' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -130.81 -4.16 2.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.153 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -162.29 140.62 8.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.136 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 695' ' ' ALA . . . . . . . . . . . . . . . -132.0 147.78 52.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.12 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 696' ' ' CYS . . . . . . . . . . . . . 14.0 p -168.53 150.27 4.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 697' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -119.22 110.28 16.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.852 -179.814 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 698' ' ' LEU . . . . . 0.558 HD22 ' CE1' ' A' ' 731' ' ' TYR . 4.7 mp -68.68 143.06 54.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 699' ' ' LYS . . . . . . . . . . . . . 10.0 pttp -152.3 129.97 11.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.927 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 700' ' ' PHE . . . . . 0.441 ' CD2' ' CD1' ' A' ' 733' ' ' PHE . 0.2 OUTLIER -101.64 123.99 46.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.892 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 701' ' ' HIS . . . . . . . . . . . . . 2.6 m80 -90.25 -39.35 12.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.887 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 702' ' ' GLU . . . . . 0.462 ' CB ' HG22 ' A' ' 710' ' ' ILE . 5.4 mm-40 -59.43 -38.7 81.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.894 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 703' ' ' ILE . . . . . . . . . . . . . 10.5 tt -52.04 -15.71 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.116 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 704' ' ' LEU . . . . . . . . . . . . . 36.3 mt -83.34 -41.62 18.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.916 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 705' ' ' GLU . . . . . . . . . . . . . 64.2 mm-40 -96.66 -57.77 2.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.889 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 706' ' ' LYS . . . . . . . . . . . . . 13.1 mttp -90.6 178.34 6.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.961 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 707' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -155.95 123.8 5.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.866 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 708' ' ' GLY . . . . . . . . . . . . . . . 120.57 -145.27 17.39 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.486 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 709' ' ' ARG . . . . . . . . . . . . . 4.6 mtp180 -51.97 99.42 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.794 0.331 . . . . 0.0 110.868 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 710' ' ' ILE . . . . . 0.462 HG22 ' CB ' ' A' ' 702' ' ' GLU . 22.6 mt -137.35 131.45 44.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.156 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 711' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -97.0 142.88 28.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 712' ' ' CYS . . . . . . . . . . . . . 4.8 m -155.36 164.33 38.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.949 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 713' ' ' THR . . . . . . . . . . . . . 21.6 p -140.23 170.28 16.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.162 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 714' ' ' ALA . . . . . 0.466 ' HB1' ' CG1' ' A' ' 729' ' ' VAL . . . -144.78 143.65 30.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.13 179.838 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 715' ' ' SER . . . . . . . . . . . . . 75.6 m -87.03 161.83 17.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.835 -179.754 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 716' ' ' LEU . . . . . . . . . . . . . 11.5 mt -130.38 144.88 51.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.919 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 717' ' ' ILE . . . . . . . . . . . . . 5.3 mp -135.85 114.5 15.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.156 179.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 718' ' ' GLY . . . . . . . . . . . . . . . -55.0 146.09 28.76 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.467 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 719' ' ' THR . . . . . . . . . . . . . 27.9 p -91.81 -63.79 1.2 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.9 0.381 . . . . 0.0 111.153 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 720' ' ' LYS . . . . . 0.461 ' HE3' ' N ' ' A' ' 720' ' ' LYS . 0.1 OUTLIER -75.53 48.61 0.45 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 179.891 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 721' ' ' GLY . . . . . . . . . . . . . . . 178.52 -29.04 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.511 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 722' ' ' ASP . . . . . . . . . . . . . 24.8 t70 68.41 45.07 1.21 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.768 0.318 . . . . 0.0 110.918 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 723' ' ' ILE . . . . . 0.405 ' HA ' ' HD2' ' A' ' 724' ' ' PRO . 69.7 mt -94.92 106.68 26.5 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.608 0.718 . . . . 0.0 111.144 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 724' ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' A' ' 723' ' ' ILE . 53.6 Cg_endo -69.75 -35.28 12.95 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.69 2.26 . . . . 0.0 112.363 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 725' ' ' ASN . . . . . 0.449 ' O ' ' CB ' ' A' ' 617' ' ' SER . 36.2 m-20 -84.09 34.66 0.51 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.919 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 726' ' ' PHE . . . . . 0.483 ' CE1' HG23 ' A' ' 620' ' ' VAL . 8.3 t80 -60.89 -38.84 87.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.904 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 727' ' ' GLY . . . . . . . . . . . . . . . 142.95 173.24 14.47 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.462 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 728' ' ' THR . . . . . . . . . . . . . 3.3 m -119.77 144.78 47.1 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.845 0.355 . . . . 0.0 111.137 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 729' ' ' VAL . . . . . 0.466 ' CG1' ' HB1' ' A' ' 714' ' ' ALA . 9.1 p -103.07 134.46 44.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.08 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -107.35 139.97 41.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 731' ' ' TYR . . . . . 0.558 ' CE1' HD22 ' A' ' 698' ' ' LEU . 42.1 p90 -155.14 177.47 11.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.928 -179.876 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 732' ' ' TRP . . . . . 0.572 ' CZ2' ' HB2' ' A' ' 734' ' ' ARG . 26.8 t90 -147.88 129.29 14.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.975 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 733' ' ' PHE . . . . . 0.441 ' CD1' ' CD2' ' A' ' 700' ' ' PHE . 18.5 p90 -126.54 150.93 48.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.865 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 734' ' ' ARG . . . . . 0.572 ' HB2' ' CZ2' ' A' ' 732' ' ' TRP . 58.9 ttt180 -148.99 111.97 4.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 735' ' ' LEU . . . . . 0.499 HD12 ' CZ ' ' A' ' 669' ' ' PHE . 3.6 mm? -103.55 108.34 19.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.958 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 736' ' ' ARG . . . . . . . . . . . . . 9.3 tpp85 -139.56 135.94 33.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 737' ' ' VAL . . . . . . . . . . . . . 7.9 p -47.49 131.94 4.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.135 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 738' ' ' SER . . . . . . . . . . . . . 24.8 t -103.18 133.86 47.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.887 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 739' ' ' GLY . . . . . . . . . . . . . . . -97.31 -154.36 29.76 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.461 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 740' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 -5.83 17.15 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.642 2.228 . . . . 0.0 112.328 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 69.6 m -40.16 143.07 0.31 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.847 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 71.5 m -48.11 126.58 11.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.85 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 743' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.5 -179.965 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 588' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 55.3 m 62.08 42.09 10.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.882 0.373 . . . . 0.0 110.875 -179.7 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 590' ' ' SER . . . . . . . . . . . . . 98.5 p -154.16 153.35 31.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 591' ' ' GLY . . . . . . . . . . . . . . . 142.91 64.16 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.507 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 52.6 p -78.67 133.83 37.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.856 0.36 . . . . 0.0 110.88 -179.728 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 5.1 t -50.61 -51.36 49.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.836 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 594' ' ' GLY . . . . . . . . . . . . . . . 126.79 71.36 0.18 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.483 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 595' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -154.25 143.75 21.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.776 0.322 . . . . 0.0 110.873 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 596' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -145.06 116.57 8.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 597' ' ' THR . . . . . . . . . . . . . 14.7 t -174.76 155.81 2.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.125 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 598' ' ' ILE . . . . . . . . . . . . . 21.1 mt -87.09 -61.84 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.125 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 599' ' ' HIS . . . . . 0.477 ' O ' ' CD2' ' A' ' 599' ' ' HIS . 0.3 OUTLIER -156.87 131.24 8.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.861 179.851 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 600' ' ' LEU . . . . . 0.507 ' CD1' ' N ' ' A' ' 600' ' ' LEU . 0.0 OUTLIER -108.16 16.61 23.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.938 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 601' ' ' GLU . . . . . 0.474 ' HG3' ' N ' ' A' ' 602' ' ' ARG . 4.4 pt-20 -124.52 -176.1 3.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.854 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 602' ' ' ARG . . . . . 0.474 ' N ' ' HG3' ' A' ' 601' ' ' GLU . 0.0 OUTLIER -127.72 141.8 51.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.862 -179.93 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 603' ' ' GLY . . . . . . . . . . . . . . . 156.29 -147.47 16.09 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.497 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 604' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -95.27 153.52 17.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.797 0.332 . . . . 0.0 110.908 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 605' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -121.13 173.83 7.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.848 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 606' ' ' LEU . . . . . . . . . . . . . 8.3 tp -140.6 139.28 34.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.905 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 607' ' ' PHE . . . . . 0.535 ' CG ' ' CZ ' ' A' ' 637' ' ' PHE . 8.0 t80 -139.52 139.46 36.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 608' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -150.2 168.27 24.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.902 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 609' ' ' ILE . . . . . 0.428 HG21 ' N ' ' A' ' 610' ' ' HIS . 79.5 mt -147.11 134.39 14.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.107 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 610' ' ' HIS . . . . . 0.47 ' HB3' ' NE1' ' A' ' 732' ' ' TRP . 73.7 t60 -131.05 138.5 49.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.834 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 41.9 mm -107.69 133.17 53.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.161 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 612' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -84.59 -64.62 1.13 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 613' ' ' LYS . . . . . . . . . . . . . 2.1 pttm -167.89 163.59 13.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.912 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 614' ' ' VAL . . . . . . . . . . . . . 92.7 t -122.71 121.74 64.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.13 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 615' ' ' THR . . . . . 0.412 HG22 ' N ' ' A' ' 616' ' ' PHE . 14.0 m -89.4 161.21 16.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.144 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 616' ' ' PHE . . . . . 0.511 ' HB3' ' CG2' ' A' ' 620' ' ' VAL . 23.8 m-85 -135.79 146.59 47.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 1.1 t -90.54 171.65 9.26 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.859 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 618' ' ' SER . . . . . . . . . . . . . 66.1 m -63.09 -20.32 65.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.842 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 619' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -63.16 -66.61 0.52 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.878 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 620' ' ' VAL . . . . . 0.558 HG11 ' CZ ' ' A' ' 726' ' ' PHE . 35.9 m -52.04 -27.54 9.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.107 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 621' ' ' LEU . . . . . 0.448 ' CD2' HD11 ' A' ' 651' ' ' LEU . 80.4 mt -72.07 -61.61 1.73 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.954 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 622' ' ' GLN . . . . . . . . . . . . . 58.4 mm-40 -48.62 -46.07 39.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.912 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -66.21 -38.14 87.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.03 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 19.4 m -66.93 -65.42 0.68 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.84 -179.75 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 625' ' ' GLY . . . . . . . . . . . . . . . 132.97 -166.95 23.5 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.47 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 626' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -93.76 44.12 1.12 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.874 0.368 . . . . 0.0 110.868 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 17.9 mtpt -139.78 110.74 6.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 26.4 mp0 -38.65 100.2 0.2 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.629 0.728 . . . . 0.0 110.88 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 629' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 111.06 2.71 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.695 2.263 . . . . 0.0 112.366 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 630' ' ' VAL . . . . . . . . . . . . . 11.7 t -81.91 112.09 19.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.148 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 631' ' ' THR . . . . . . . . . . . . . 14.4 p -133.3 167.09 21.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.146 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 632' ' ' PHE . . . . . 0.641 ' CE1' ' NE2' ' A' ' 683' ' ' HIS . 42.9 p90 -144.46 158.56 43.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 633' ' ' CYS . . . . . 0.416 ' O ' ' CG2' ' A' ' 645' ' ' THR . 0.8 OUTLIER -105.69 158.9 16.39 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 -179.895 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 634' ' ' THR . . . . . 0.4 HG22 ' C ' ' A' ' 633' ' ' CYS . 65.9 p -149.05 146.61 27.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.128 -179.868 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 635' ' ' TYR . . . . . . . . . . . . . 43.6 p90 -174.85 146.3 0.91 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.931 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 636' ' ' ALA . . . . . . . . . . . . . . . -112.7 159.82 18.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.057 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 637' ' ' PHE . . . . . 0.535 ' CZ ' ' CG ' ' A' ' 607' ' ' PHE . 48.8 t80 -120.57 145.28 47.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.851 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 638' ' ' TYR . . . . . 0.502 ' HB3' ' CD2' ' A' ' 640' ' ' PHE . 2.6 t80 41.66 32.47 0.25 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 639' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 59.65 42.42 17.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.907 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 640' ' ' PHE . . . . . 0.502 ' CD2' ' HB3' ' A' ' 638' ' ' TYR . 16.6 m-85 -103.46 -179.69 4.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.923 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 2.0 pm0 -41.64 129.22 3.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.905 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 642' ' ' LEU . . . . . 0.538 ' CD1' ' C ' ' A' ' 642' ' ' LEU . 0.8 OUTLIER -64.9 109.63 2.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.927 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 643' ' ' GLN . . . . . . . . . . . . . 2.7 tp60 -84.09 117.27 23.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 644' ' ' THR . . . . . . . . . . . . . 95.9 m -92.71 122.45 35.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.118 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 645' ' ' THR . . . . . 0.416 ' CG2' ' O ' ' A' ' 633' ' ' CYS . 11.8 p -71.07 151.58 94.84 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.608 0.718 . . . . 0.0 111.148 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 646' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 115.11 3.93 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.691 2.261 . . . . 0.0 112.369 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 647' ' ' VAL . . . . . 0.457 HG21 ' N ' ' A' ' 648' ' ' VAL . 7.1 p -68.31 143.37 15.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.123 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 648' ' ' VAL . . . . . 0.457 ' N ' HG21 ' A' ' 647' ' ' VAL . 11.3 m -145.63 150.33 15.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.108 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 649' ' ' ARG . . . . . . . . . . . . . 7.1 ptt180 -84.69 126.24 33.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 650' ' ' GLY . . . . . . . . . . . . . . . 144.97 163.77 10.27 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.462 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 651' ' ' LEU . . . . . 0.448 HD11 ' CD2' ' A' ' 621' ' ' LEU . 3.8 mm? -86.75 -49.29 7.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.845 0.355 . . . . 0.0 110.897 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 652' ' ' HIS . . . . . 0.435 ' CD2' ' N ' ' A' ' 652' ' ' HIS . 0.6 OUTLIER -118.64 61.83 4.95 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.591 0.71 . . . . 0.0 110.82 179.902 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 653' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -176.47 1.5 Allowed 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.694 2.263 . . . . 0.0 112.34 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 72.3 mt-10 -134.83 78.48 1.74 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.872 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 655' ' ' TYR . . . . . . . . . . . . . 18.1 m-85 -45.71 -57.04 4.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.981 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 56.55 47.42 18.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.925 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 657' ' ' PHE . . . . . . . . . . . . . 20.9 t80 -94.86 124.89 39.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.836 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 3.5 m -113.94 148.32 37.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.14 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 7.2 p -152.57 166.18 32.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.832 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 660' ' ' GLN . . . . . 0.529 ' O ' ' CD1' ' A' ' 661' ' ' TYR . 38.2 mt-30 -149.98 146.56 27.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.846 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 661' ' ' TYR . . . . . 0.529 ' CD1' ' O ' ' A' ' 660' ' ' GLN . 21.6 m-85 -149.16 120.79 8.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 662' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -80.85 102.65 10.17 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.942 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 663' ' ' VAL . . . . . . . . . . . . . 17.6 m -124.54 135.06 65.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.182 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 664' ' ' HIS . . . . . . . . . . . . . 51.0 p-80 -108.61 119.39 39.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.852 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 665' ' ' VAL . . . . . . . . . . . . . 2.2 t -148.89 170.72 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.125 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 666' ' ' ASN . . . . . 0.501 ' O ' ' N ' ' A' ' 668' ' ' LEU . 2.3 m-80 -115.38 -174.5 2.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 667' ' ' ASP . . . . . 0.443 ' C ' ' O ' ' A' ' 666' ' ' ASN . 6.8 m-20 -34.83 -32.01 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 668' ' ' LEU . . . . . 0.501 ' N ' ' O ' ' A' ' 666' ' ' ASN . 4.3 mm? -46.89 -51.32 17.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 669' ' ' PHE . . . . . 0.448 ' C ' ' O ' ' A' ' 668' ' ' LEU . 7.0 t80 -34.44 -32.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 670' ' ' LEU . . . . . 0.5 ' N ' ' O ' ' A' ' 668' ' ' LEU . 69.1 mt -68.91 -61.7 1.69 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.922 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 671' ' ' GLN . . . . . 0.445 ' C ' ' O ' ' A' ' 670' ' ' LEU . 6.7 pt20 -34.81 -44.45 0.22 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 672' ' ' TYR . . . . . 0.433 ' N ' ' CG ' ' A' ' 671' ' ' GLN . 5.0 t80 -57.6 -44.68 85.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.948 -179.853 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 673' ' ' ILE . . . . . 0.5 ' N ' ' O ' ' A' ' 670' ' ' LEU . 72.5 mt -62.44 -44.28 99.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.129 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 674' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -70.9 -63.77 1.03 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.901 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 675' ' ' LYS . . . . . . . . . . . . . 12.1 mtmm -55.76 -60.87 2.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 676' ' ' ASN . . . . . 0.4 ' O ' ' O ' ' A' ' 672' ' ' TYR . 9.7 m-80 -102.1 167.62 9.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.878 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 38.5 p -140.61 167.26 22.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.089 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 678' ' ' ILE . . . . . . . . . . . . . 16.6 mt -88.2 148.26 4.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.195 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 17.8 m -116.86 123.81 47.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.147 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 680' ' ' LEU . . . . . 0.491 ' CD2' ' O ' ' A' ' 680' ' ' LEU . 3.8 tt -131.88 98.47 4.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.949 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 681' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -101.03 140.55 35.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 682' ' ' VAL . . . . . . . . . . . . . 60.1 t -110.68 126.92 68.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.156 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 683' ' ' HIS . . . . . 0.641 ' NE2' ' CE1' ' A' ' 632' ' ' PHE . 7.4 p-80 -119.16 153.07 35.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 684' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 -84.64 142.64 29.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.939 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -95.49 112.72 24.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.126 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 686' ' ' TYR . . . . . . . . . . . . . 38.5 m-85 -105.15 167.05 9.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.914 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 687' ' ' SER . . . . . . . . . . . . . 3.6 m -44.06 -65.08 0.55 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.836 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 688' ' ' THR . . . . . . . . . . . . . 11.7 t -132.77 37.83 3.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.154 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 689' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -139.98 166.52 24.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.867 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 690' ' ' TYR . . . . . . . . . . . . . 90.0 m-85 -154.1 117.18 4.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.875 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 691' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -147.34 147.29 30.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.841 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 692' ' ' THR . . . . . 0.468 HG21 ' CG2' ' A' ' 719' ' ' THR . 0.6 OUTLIER -93.2 145.8 24.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.153 -179.954 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 693' ' ' ILE . . . . . 0.494 ' N ' HG23 ' A' ' 719' ' ' THR . 1.4 pp -134.42 1.3 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.155 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 694' ' ' ALA . . . . . 0.566 ' HB2' ' CZ ' ' A' ' 726' ' ' PHE . . . -148.32 144.69 27.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.109 179.824 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 695' ' ' ALA . . . . . . . . . . . . . . . -157.53 139.93 14.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.082 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 696' ' ' CYS . . . . . . . . . . . . . 21.3 p -154.74 166.65 32.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 697' ' ' GLN . . . . . . . . . . . . . 64.3 mm-40 -117.07 110.11 17.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.923 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 698' ' ' LEU . . . . . . . . . . . . . 13.9 mt -75.56 133.8 40.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.934 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 699' ' ' LYS . . . . . . . . . . . . . 6.6 pttt -153.85 124.02 6.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.848 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 700' ' ' PHE . . . . . 0.626 ' CD2' ' CD1' ' A' ' 733' ' ' PHE . 1.5 m-85 -99.23 125.27 44.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 701' ' ' HIS . . . . . . . . . . . . . 70.3 m-70 -89.3 -45.16 9.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.856 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 702' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -56.81 -31.11 64.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 703' ' ' ILE . . . . . 0.563 HD13 ' CD2' ' A' ' 733' ' ' PHE . 10.9 tt -57.03 -11.65 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.137 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 704' ' ' LEU . . . . . . . . . . . . . 20.9 mt -86.92 -48.24 8.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 705' ' ' GLU . . . . . 0.47 ' CG ' ' HG2' ' A' ' 706' ' ' LYS . 15.3 pt-20 -79.66 -44.95 19.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.908 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 706' ' ' LYS . . . . . 0.47 ' HG2' ' CG ' ' A' ' 705' ' ' GLU . 13.9 ptpt -120.48 175.19 6.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 707' ' ' SER . . . . . . . . . . . . . 1.1 t -152.07 137.4 17.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.845 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 708' ' ' GLY . . . . . 0.403 ' O ' ' O ' ' A' ' 733' ' ' PHE . . . 109.82 -112.69 3.42 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.487 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 709' ' ' ARG . . . . . . . . . . . . . 5.8 tmm_? -69.94 84.09 0.49 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.788 0.327 . . . . 0.0 110.894 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 710' ' ' ILE . . . . . 0.4 HD12 ' C ' ' A' ' 706' ' ' LYS . 12.0 mt -136.97 139.33 44.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.157 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 711' ' ' PHE . . . . . . . . . . . . . 46.7 m-85 -119.48 147.98 43.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 712' ' ' CYS . . . . . . . . . . . . . 5.3 t -163.37 162.82 25.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 713' ' ' THR . . . . . . . . . . . . . 28.6 p -130.14 170.75 13.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.095 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 714' ' ' ALA . . . . . . . . . . . . . . . -146.66 136.77 23.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.105 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 715' ' ' SER . . . . . . . . . . . . . 11.9 t -78.04 140.73 39.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.813 -179.745 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 716' ' ' LEU . . . . . . . . . . . . . 7.3 mt -108.81 139.96 42.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.898 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 717' ' ' ILE . . . . . 0.467 ' N ' HD12 ' A' ' 717' ' ' ILE . 4.2 mp -136.02 142.99 37.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.102 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 718' ' ' GLY . . . . . 0.477 ' O ' ' N ' ' A' ' 721' ' ' GLY . . . -40.9 144.84 0.53 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.492 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 719' ' ' THR . . . . . 0.494 HG23 ' N ' ' A' ' 693' ' ' ILE . 0.8 OUTLIER -43.42 -39.07 3.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.81 0.338 . . . . 0.0 111.123 -179.835 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 720' ' ' LYS . . . . . 0.483 ' N ' ' HD3' ' A' ' 720' ' ' LYS . 0.0 OUTLIER -83.55 25.5 0.75 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.883 179.902 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 721' ' ' GLY . . . . . 0.477 ' N ' ' O ' ' A' ' 718' ' ' GLY . . . 33.74 53.39 0.65 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.49 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 722' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -131.01 -30.32 1.79 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.808 0.337 . . . . 0.0 110.854 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 723' ' ' ILE . . . . . 0.413 ' O ' ' HA ' ' A' ' 717' ' ' ILE . 77.4 mt -97.42 103.31 15.51 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.589 0.709 . . . . 0.0 111.118 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 724' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -52.6 0.32 Allowed 'Trans proline' 0 N--CA 1.466 -0.145 0 C-N-CA 122.709 2.273 . . . . 0.0 112.356 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 725' ' ' ASN . . . . . . . . . . . . . 22.4 m-20 -73.97 81.21 1.69 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 726' ' ' PHE . . . . . 0.566 ' CZ ' ' HB2' ' A' ' 694' ' ' ALA . 2.3 t80 -114.11 -30.64 6.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.887 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 727' ' ' GLY . . . . . . . . . . . . . . . 140.98 168.33 11.38 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.501 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 728' ' ' THR . . . . . . . . . . . . . 24.6 m -116.03 148.84 39.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.843 0.354 . . . . 0.0 111.14 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 729' ' ' VAL . . . . . . . . . . . . . 10.3 p -109.95 129.6 64.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.143 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -113.13 110.51 20.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 731' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -137.75 168.39 19.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.959 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 732' ' ' TRP . . . . . 0.47 ' NE1' ' HB3' ' A' ' 610' ' ' HIS . 48.6 p-90 -142.92 125.29 15.6 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.959 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 733' ' ' PHE . . . . . 0.626 ' CD1' ' CD2' ' A' ' 700' ' ' PHE . 49.4 p90 -110.5 165.07 12.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.884 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 734' ' ' ARG . . . . . 0.421 ' C ' ' HD3' ' A' ' 734' ' ' ARG . 0.4 OUTLIER -161.18 124.08 3.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 -179.896 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 735' ' ' LEU . . . . . . . . . . . . . 8.2 tp -131.19 104.7 7.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.939 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 736' ' ' ARG . . . . . 0.444 ' O ' ' C ' ' A' ' 737' ' ' VAL . 3.7 tpt180 -144.15 135.08 25.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.847 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 737' ' ' VAL . . . . . 0.444 ' C ' ' O ' ' A' ' 736' ' ' ARG . 4.0 p -33.75 134.39 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.121 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 738' ' ' SER . . . . . . . . . . . . . 11.7 p -97.85 113.73 25.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.865 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 739' ' ' GLY . . . . . . . . . . . . . . . 85.98 141.45 6.1 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.483 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 740' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -177.71 2.01 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.715 2.277 . . . . 0.0 112.304 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 2.6 m -160.98 162.53 31.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 24.3 p -94.23 138.44 32.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.859 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 743' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.484 179.981 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 588' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 3.1 m -138.78 173.57 11.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.885 0.374 . . . . 0.0 110.888 -179.779 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 590' ' ' SER . . . . . . . . . . . . . 19.8 m -155.6 174.17 15.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.876 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 591' ' ' GLY . . . . . . . . . . . . . . . -123.57 -165.7 12.36 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.479 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 3.3 m -161.48 158.95 27.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.87 0.367 . . . . 0.0 110.862 -179.728 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 8.7 t -120.02 -62.05 1.53 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.918 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 594' ' ' GLY . . . . . . . . . . . . . . . -161.21 162.92 34.09 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.478 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 595' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -163.32 173.4 13.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.758 0.313 . . . . 0.0 110.872 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 596' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -146.25 132.89 19.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 597' ' ' THR . . . . . . . . . . . . . 41.7 p -98.44 116.22 30.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.173 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 598' ' ' ILE . . . . . 0.468 ' O ' ' C ' ' A' ' 599' ' ' HIS . 27.3 mm -97.25 119.76 45.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.153 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 599' ' ' HIS . . . . . 0.468 ' C ' ' O ' ' A' ' 598' ' ' ILE . 43.1 m80 -33.25 144.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.873 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 600' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -98.89 165.51 11.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.937 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 601' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -111.09 160.95 16.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.927 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 602' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.05 166.48 23.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.845 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 603' ' ' GLY . . . . . . . . . . . . . . . 135.61 -139.84 11.11 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.45 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 604' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -47.99 165.97 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.843 0.354 . . . . 0.0 110.923 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 605' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -134.48 130.5 36.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 606' ' ' LEU . . . . . . . . . . . . . 6.6 tt -129.02 146.04 51.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 607' ' ' PHE . . . . . 0.411 ' CD2' ' CE1' ' A' ' 637' ' ' PHE . 9.3 t80 -120.76 134.96 55.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 608' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -148.04 129.94 15.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.886 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 609' ' ' ILE . . . . . . . . . . . . . 59.5 mt -111.44 140.94 28.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.149 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 610' ' ' HIS . . . . . 0.557 ' CE1' ' HA ' ' A' ' 656' ' ' ASN . 8.5 t-80 -131.23 113.16 13.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.876 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 49.7 mm -79.32 106.52 10.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.158 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 612' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -60.86 -65.46 0.69 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 613' ' ' LYS . . . . . . . . . . . . . 16.0 ptmt -163.96 178.59 7.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.923 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 614' ' ' VAL . . . . . . . . . . . . . 79.1 t -129.24 117.91 44.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.11 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 615' ' ' THR . . . . . . . . . . . . . 66.2 m -93.71 133.5 37.0 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.173 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 616' ' ' PHE . . . . . 0.455 ' CD1' HG12 ' A' ' 620' ' ' VAL . 47.3 m-85 -101.63 166.01 10.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.847 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 617' ' ' SER . . . . . 0.495 ' CB ' ' O ' ' A' ' 725' ' ' ASN . 0.9 OUTLIER -103.71 161.11 14.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.889 -179.82 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 618' ' ' SER . . . . . . . . . . . . . 31.9 p -45.47 -41.43 9.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.813 -179.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 619' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -59.39 -43.16 92.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.901 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 620' ' ' VAL . . . . . 0.455 HG12 ' CD1' ' A' ' 616' ' ' PHE . 30.3 t -67.38 -39.34 82.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.146 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 621' ' ' LEU . . . . . 0.411 ' CD2' HD21 ' A' ' 651' ' ' LEU . 39.5 mt -67.06 -47.82 70.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.907 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 622' ' ' GLN . . . . . . . . . . . . . 35.5 mm-40 -70.97 -49.69 42.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.929 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -43.37 -40.94 3.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.096 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 15.5 m -64.63 -46.11 83.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 625' ' ' GLY . . . . . . . . . . . . . . . 91.47 -141.8 15.81 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.503 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 626' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -80.57 41.58 0.56 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.875 0.369 . . . . 0.0 110.835 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 13.3 ptpt -151.01 176.54 11.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.946 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -123.2 123.47 26.63 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.636 0.732 . . . . 0.0 110.882 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 629' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 145.8 58.24 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.725 2.284 . . . . 0.0 112.343 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 630' ' ' VAL . . . . . . . . . . . . . 13.2 t -122.81 112.68 35.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.114 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 631' ' ' THR . . . . . . . . . . . . . 34.4 p -139.07 178.67 7.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.152 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 632' ' ' PHE . . . . . . . . . . . . . 35.7 p90 -146.07 174.43 11.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 633' ' ' CYS . . . . . . . . . . . . . 61.6 m -117.16 151.13 37.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 634' ' ' THR . . . . . . . . . . . . . 23.3 p -150.01 124.43 9.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.09 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 635' ' ' TYR . . . . . . . . . . . . . 28.8 p90 -152.88 177.74 10.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 636' ' ' ALA . . . . . . . . . . . . . . . -149.4 149.26 30.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.101 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 637' ' ' PHE . . . . . 0.508 ' O ' ' N ' ' A' ' 640' ' ' PHE . 78.1 t80 -115.07 156.04 25.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.91 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 638' ' ' TYR . . . . . 0.477 ' C ' ' O ' ' A' ' 637' ' ' PHE . 12.8 t80 31.6 38.37 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 -179.865 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 639' ' ' ASP . . . . . 0.478 ' N ' ' O ' ' A' ' 637' ' ' PHE . 34.0 t70 58.65 50.27 9.18 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.885 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 640' ' ' PHE . . . . . 0.508 ' N ' ' O ' ' A' ' 637' ' ' PHE . 4.2 m-85 -99.0 173.13 6.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.913 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -56.38 116.63 3.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 642' ' ' LEU . . . . . 0.491 ' C ' HD11 ' A' ' 642' ' ' LEU . 0.4 OUTLIER -50.95 113.11 0.83 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.892 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 643' ' ' GLN . . . . . . . . . . . . . 4.7 tp60 -82.33 147.65 28.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 644' ' ' THR . . . . . . . . . . . . . 28.9 m -116.13 111.37 20.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.12 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 645' ' ' THR . . . . . . . . . . . . . 60.7 p -70.48 153.65 94.92 Favored Pre-proline 0 C--N 1.33 -0.283 0 CA-C-O 121.545 0.688 . . . . 0.0 111.152 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 646' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.7 125.04 11.71 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.648 2.232 . . . . 0.0 112.33 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 647' ' ' VAL . . . . . . . . . . . . . 60.2 t -68.04 122.42 19.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.123 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 39.1 t -121.74 130.88 74.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.07 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 649' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -93.58 135.81 34.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.899 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 650' ' ' GLY . . . . . . . . . . . . . . . 149.42 -132.57 4.1 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.507 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 651' ' ' LEU . . . . . 0.434 ' HB3' ' CD2' ' A' ' 652' ' ' HIS . 7.3 mt -159.78 104.99 1.58 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.826 0.346 . . . . 0.0 110.949 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 652' ' ' HIS . . . . . 0.522 ' N ' ' CD ' ' A' ' 653' ' ' PRO . 16.6 m-70 74.76 49.78 0.21 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.583 0.706 . . . . 0.0 110.882 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 653' ' ' PRO . . . . . 0.522 ' CD ' ' N ' ' A' ' 652' ' ' HIS . 53.7 Cg_endo -69.75 174.42 9.52 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.702 2.268 . . . . 0.0 112.351 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 654' ' ' GLU . . . . . 0.428 ' HB3' ' ND2' ' A' ' 656' ' ' ASN . 63.9 mt-10 -120.9 80.49 1.64 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.944 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 655' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -51.35 -55.98 15.53 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.915 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 656' ' ' ASN . . . . . 0.557 ' HA ' ' CE1' ' A' ' 610' ' ' HIS . 2.2 m-80 60.02 44.2 13.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.903 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 657' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -88.77 151.98 22.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.891 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 55.8 m -134.55 149.08 50.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.147 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 89.3 p -132.25 153.74 50.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.821 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -132.24 130.47 40.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.895 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 661' ' ' TYR . . . . . . . . . . . . . 75.7 m-85 -153.91 122.02 6.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 662' ' ' LEU . . . . . 0.419 HD12 ' C ' ' A' ' 662' ' ' LEU . 0.3 OUTLIER -89.65 118.01 28.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.932 179.933 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 663' ' ' VAL . . . . . 0.405 ' N ' HD12 ' A' ' 662' ' ' LEU . 28.8 m -133.28 114.25 20.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.124 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 664' ' ' HIS . . . . . . . . . . . . . 22.5 p-80 -93.78 98.17 10.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.879 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 665' ' ' VAL . . . . . . . . . . . . . 4.8 m -159.7 152.08 5.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.128 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 666' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -115.82 -66.59 1.07 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 667' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -74.91 -63.23 1.3 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 9.1 mp -40.39 -38.37 0.81 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.905 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 669' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -47.84 -55.44 9.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.925 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 670' ' ' LEU . . . . . . . . . . . . . 50.9 mt -71.01 -51.18 26.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.898 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 671' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -42.92 -49.96 5.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.918 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 672' ' ' TYR . . . . . 0.44 ' CD1' ' C ' ' A' ' 672' ' ' TYR . 0.9 OUTLIER -59.46 -41.83 90.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.929 -179.885 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 673' ' ' ILE . . . . . . . . . . . . . 88.7 mt -61.53 -61.07 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.135 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 674' ' ' GLN . . . . . . . . . . . . . 22.3 pt20 -58.19 -45.8 86.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.932 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 675' ' ' LYS . . . . . . . . . . . . . 81.5 mttt -67.09 -68.92 0.34 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.938 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 676' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -100.23 151.69 21.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 61.3 p -121.24 168.35 11.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.113 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 678' ' ' ILE . . . . . . . . . . . . . 5.3 mp -87.81 116.47 29.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.118 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 11.5 m -87.61 104.62 16.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.173 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 680' ' ' LEU . . . . . 0.434 ' CB ' HD11 ' A' ' 698' ' ' LEU . 7.0 tt -115.84 108.15 15.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.886 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 681' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -112.28 135.84 52.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 682' ' ' VAL . . . . . . . . . . . . . 95.8 t -99.12 99.43 8.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.144 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 683' ' ' HIS . . . . . . . . . . . . . 4.3 m170 -90.86 141.58 28.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.799 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 684' ' ' GLN . . . . . 0.519 ' HB3' ' CZ ' ' A' ' 686' ' ' TYR . 22.4 tt0 -91.23 146.78 23.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -98.36 113.6 25.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.088 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 686' ' ' TYR . . . . . 0.519 ' CZ ' ' HB3' ' A' ' 684' ' ' GLN . 1.0 OUTLIER -107.6 168.78 9.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.959 -179.879 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 687' ' ' SER . . . . . . . . . . . . . 29.2 p -40.33 94.52 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.842 -179.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 688' ' ' THR . . . . . 0.452 ' N ' ' O ' ' A' ' 686' ' ' TYR . 69.2 p 50.1 44.03 25.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.171 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 689' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -142.79 165.96 25.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.89 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 690' ' ' TYR . . . . . . . . . . . . . 33.6 m-85 -152.42 121.65 6.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.926 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 691' ' ' GLU . . . . . 0.416 ' HG2' ' N ' ' A' ' 692' ' ' THR . 26.4 tt0 -149.16 153.44 37.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.854 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 692' ' ' THR . . . . . 0.416 ' N ' ' HG2' ' A' ' 691' ' ' GLU . 94.4 m -82.78 140.9 32.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.141 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 693' ' ' ILE . . . . . 0.468 HG13 ' N ' ' A' ' 694' ' ' ALA . 26.1 pt -130.92 -31.31 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.139 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 694' ' ' ALA . . . . . 0.468 ' N ' HG13 ' A' ' 693' ' ' ILE . . . -131.29 139.5 49.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.085 179.804 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 695' ' ' ALA . . . . . . . . . . . . . . . -145.81 136.65 24.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.14 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 696' ' ' CYS . . . . . . . . . . . . . 31.0 p -151.58 155.44 38.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 697' ' ' GLN . . . . . . . . . . . . . 7.0 mm100 -103.79 108.65 20.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.906 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 698' ' ' LEU . . . . . 0.434 HD11 ' CB ' ' A' ' 680' ' ' LEU . 87.8 mt -84.5 128.1 34.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 699' ' ' LYS . . . . . 0.539 ' HD2' ' CE1' ' A' ' 701' ' ' HIS . 9.7 ptpt -152.79 136.26 15.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 179.809 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 700' ' ' PHE . . . . . 0.717 ' CD1' ' CD1' ' A' ' 733' ' ' PHE . 10.3 m-85 -99.98 125.78 46.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.882 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 701' ' ' HIS . . . . . 0.539 ' CE1' ' HD2' ' A' ' 699' ' ' LYS . 14.9 m80 -91.9 -51.16 5.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 702' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -48.14 -44.74 32.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 703' ' ' ILE . . . . . 0.47 HG22 ' N ' ' A' ' 704' ' ' LEU . 12.8 tt -46.01 -25.33 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.163 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 704' ' ' LEU . . . . . 0.47 ' N ' HG22 ' A' ' 703' ' ' ILE . 38.3 mt -66.3 -40.53 90.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.921 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 705' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -98.09 -58.53 1.96 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.911 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 706' ' ' LYS . . . . . . . . . . . . . 28.2 mtpt -82.63 176.34 9.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.915 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 707' ' ' SER . . . . . . . . . . . . . 58.5 m -149.62 106.41 3.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.824 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 708' ' ' GLY . . . . . . . . . . . . . . . 141.12 -150.0 21.47 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.448 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 709' ' ' ARG . . . . . 0.436 ' C ' HG13 ' A' ' 710' ' ' ILE . 24.3 ptt-85 -65.82 120.36 12.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.805 0.336 . . . . 0.0 110.869 -179.837 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 710' ' ' ILE . . . . . 0.554 ' HB ' ' CZ ' ' A' ' 733' ' ' PHE . 26.7 mt -144.51 106.54 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.118 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 711' ' ' PHE . . . . . . . . . . . . . 17.0 m-85 -57.85 140.97 50.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 712' ' ' CYS . . . . . . . . . . . . . 5.4 t -164.04 166.29 21.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.932 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 713' ' ' THR . . . . . . . . . . . . . 21.3 p -147.38 170.83 16.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.128 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 714' ' ' ALA . . . . . . . . . . . . . . . -145.22 148.63 33.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.126 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 715' ' ' SER . . . . . . . . . . . . . 60.4 p -88.62 156.48 19.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.853 -179.761 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 716' ' ' LEU . . . . . . . . . . . . . 8.9 mt -124.99 139.34 53.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 717' ' ' ILE . . . . . 0.47 HG21 ' N ' ' A' ' 718' ' ' GLY . 4.9 mp -125.82 142.98 40.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.163 179.827 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 718' ' ' GLY . . . . . 0.47 ' N ' HG21 ' A' ' 717' ' ' ILE . . . -74.58 135.46 19.42 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.457 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 719' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -81.27 -45.52 16.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.831 0.348 . . . . 0.0 111.146 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 720' ' ' LYS . . . . . 0.502 ' HD2' ' N ' ' A' ' 720' ' ' LYS . 4.7 mmmm -99.15 -41.66 7.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.902 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 721' ' ' GLY . . . . . . . . . . . . . . . -71.51 -22.87 78.59 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.504 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 722' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 62.8 45.81 5.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.827 0.346 . . . . 0.0 110.914 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 723' ' ' ILE . . . . . . . . . . . . . 64.0 mt -103.54 106.5 52.3 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.638 0.732 . . . . 0.0 111.122 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 724' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -30.35 22.61 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.705 2.27 . . . . 0.0 112.344 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 725' ' ' ASN . . . . . 0.495 ' O ' ' CB ' ' A' ' 617' ' ' SER . 77.5 m-20 -101.03 41.03 1.21 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.831 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 726' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -55.55 -48.99 73.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.875 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 727' ' ' GLY . . . . . . . . . . . . . . . 160.77 -170.65 36.72 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.502 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 728' ' ' THR . . . . . . . . . . . . . 15.9 m -131.09 149.18 52.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.776 0.322 . . . . 0.0 111.187 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 729' ' ' VAL . . . . . . . . . . . . . 7.5 p -104.69 139.15 26.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.141 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -106.58 112.15 25.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.915 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 731' ' ' TYR . . . . . . . . . . . . . 10.5 p90 -143.72 174.52 10.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.902 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 732' ' ' TRP . . . . . 0.514 ' CE2' ' HB3' ' A' ' 610' ' ' HIS . 61.4 p-90 -157.21 136.0 11.59 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.938 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 733' ' ' PHE . . . . . 0.717 ' CD1' ' CD1' ' A' ' 700' ' ' PHE . 14.3 p90 -112.41 135.02 53.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.887 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 734' ' ' ARG . . . . . . . . . . . . . 16.9 ttm180 -129.63 112.37 13.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.892 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 735' ' ' LEU . . . . . . . . . . . . . 18.5 tp -111.55 105.04 13.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.91 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 736' ' ' ARG . . . . . 0.456 ' HD3' ' CG1' ' A' ' 737' ' ' VAL . 1.8 tmt_? -147.13 145.69 29.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 737' ' ' VAL . . . . . 0.472 HG23 ' N ' ' A' ' 738' ' ' SER . 14.5 p -35.04 144.67 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.112 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 738' ' ' SER . . . . . 0.472 ' N ' HG23 ' A' ' 737' ' ' VAL . 33.3 t -140.98 134.43 29.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 739' ' ' GLY . . . . . . . . . . . . . . . -76.76 115.13 4.28 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.462 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 740' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -173.05 0.65 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.634 2.223 . . . . 0.0 112.322 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 37.2 t -75.76 148.64 38.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.84 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 15.9 t -98.95 -50.14 4.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.849 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 743' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.484 -180.0 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 588' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 24.1 m -53.66 158.69 1.8 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.866 0.365 . . . . 0.0 110.865 -179.75 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 590' ' ' SER . . . . . . . . . . . . . 68.3 m -121.77 143.37 49.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.869 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 591' ' ' GLY . . . . . . . . . . . . . . . 170.36 -97.88 0.13 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.533 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 1.6 t -48.09 113.9 0.83 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.911 0.386 . . . . 0.0 110.824 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 24.5 m -45.49 -62.41 1.29 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.848 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 594' ' ' GLY . . . . . . . . . . . . . . . 79.58 -154.61 38.38 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.507 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 595' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -84.79 109.67 18.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.767 0.318 . . . . 0.0 110.864 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 596' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -153.0 128.39 9.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 597' ' ' THR . . . . . . . . . . . . . 81.8 p -121.96 124.83 44.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.175 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 598' ' ' ILE . . . . . . . . . . . . . 49.5 mm -51.75 -56.45 5.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.099 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 599' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -132.0 121.1 23.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 600' ' ' LEU . . . . . . . . . . . . . 8.1 mp -67.04 157.03 34.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.893 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 601' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -80.93 145.16 31.4 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.898 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 602' ' ' ARG . . . . . 0.435 ' C ' ' CD ' ' A' ' 602' ' ' ARG . 3.1 ppt_? -84.58 26.05 0.84 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.866 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 603' ' ' GLY . . . . . . . . . . . . . . . -76.71 -101.6 0.15 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.473 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 604' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -127.18 170.89 11.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.854 0.359 . . . . 0.0 110.895 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 605' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -140.13 160.72 39.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 606' ' ' LEU . . . . . . . . . . . . . 9.9 tp -140.26 112.82 7.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.938 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 607' ' ' PHE . . . . . 0.578 ' CD2' ' CZ ' ' A' ' 669' ' ' PHE . 4.2 t80 -117.36 127.74 54.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 608' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -149.2 158.19 43.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 609' ' ' ILE . . . . . . . . . . . . . 42.3 mt -132.39 138.27 52.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.128 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 610' ' ' HIS . . . . . 0.438 ' NE2' ' ND2' ' A' ' 612' ' ' ASN . 4.5 t60 -125.96 128.88 48.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.831 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 41.8 mm -103.55 99.19 7.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.163 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 612' ' ' ASN . . . . . 0.438 ' ND2' ' NE2' ' A' ' 610' ' ' HIS . 1.1 m120 -60.78 -67.88 0.36 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.879 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 613' ' ' LYS . . . . . . . . . . . . . 21.7 pttm -158.31 170.45 22.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 614' ' ' VAL . . . . . . . . . . . . . 9.8 p -122.58 125.32 72.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.148 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 615' ' ' THR . . . . . . . . . . . . . 5.4 m -94.93 143.66 26.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.197 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 616' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -116.02 166.91 11.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.85 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -106.97 156.02 19.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.824 -179.786 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 618' ' ' SER . . . . . . . . . . . . . 14.5 m -41.18 -59.93 1.38 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.837 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 619' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -38.58 -46.67 1.22 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.855 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 620' ' ' VAL . . . . . 0.497 HG23 ' CE2' ' A' ' 726' ' ' PHE . 9.3 t -74.21 -47.02 42.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.085 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 621' ' ' LEU . . . . . . . . . . . . . 84.8 mt -48.72 -43.93 37.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 622' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -71.8 -45.44 61.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.925 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -43.99 -51.39 7.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.065 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 57.9 m -79.74 -53.88 6.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.829 -179.745 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 625' ' ' GLY . . . . . . . . . . . . . . . 118.9 -164.38 13.08 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.509 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 626' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -85.66 46.04 1.27 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.913 0.387 . . . . 0.0 110.891 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 13.2 mmmt -121.88 -175.51 3.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.926 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 628' ' ' GLU . . . . . 0.469 ' HB3' ' N ' ' A' ' 650' ' ' GLY . 49.9 mt-10 -102.78 96.36 7.58 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.653 0.74 . . . . 0.0 110.879 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 629' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 108.96 2.18 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.714 2.276 . . . . 0.0 112.328 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 630' ' ' VAL . . . . . 0.472 ' CG1' ' CG1' ' A' ' 647' ' ' VAL . 1.7 t -82.07 123.87 38.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.111 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 631' ' ' THR . . . . . . . . . . . . . 48.5 p -125.78 178.06 5.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.152 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 632' ' ' PHE . . . . . 0.583 ' CE2' ' CG2' ' A' ' 647' ' ' VAL . 0.7 OUTLIER -145.74 147.5 31.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 633' ' ' CYS . . . . . 0.412 ' O ' HG21 ' A' ' 645' ' ' THR . 63.8 m -129.46 144.28 51.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.854 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 634' ' ' THR . . . . . . . . . . . . . 18.4 p -154.94 146.9 23.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.129 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 635' ' ' TYR . . . . . . . . . . . . . 32.1 p90 -175.03 150.2 1.18 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 636' ' ' ALA . . . . . . . . . . . . . . . -109.4 138.26 46.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.109 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 637' ' ' PHE . . . . . 0.488 ' CE1' ' HB2' ' A' ' 638' ' ' TYR . 3.2 t80 -111.79 146.92 36.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.919 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 638' ' ' TYR . . . . . 0.488 ' HB2' ' CE1' ' A' ' 637' ' ' PHE . 9.1 t80 40.03 31.41 0.09 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 -179.838 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 639' ' ' ASP . . . . . . . . . . . . . 4.6 t0 62.73 44.8 6.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.847 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 640' ' ' PHE . . . . . 0.432 ' CD2' ' HB3' ' A' ' 638' ' ' TYR . 17.7 m-85 -103.87 179.18 4.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -53.98 131.82 41.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.909 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 642' ' ' LEU . . . . . 0.408 HD12 ' C ' ' A' ' 642' ' ' LEU . 0.8 OUTLIER -47.58 126.13 9.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 643' ' ' GLN . . . . . . . . . . . . . 3.1 tp60 -82.57 152.15 26.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.939 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 644' ' ' THR . . . . . . . . . . . . . 1.9 m -134.54 148.62 50.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.135 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 645' ' ' THR . . . . . 0.412 HG21 ' O ' ' A' ' 633' ' ' CYS . 0.4 OUTLIER -120.72 154.06 57.1 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.606 0.717 . . . . 0.0 111.117 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 646' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 129.14 17.13 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.672 2.248 . . . . 0.0 112.345 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 647' ' ' VAL . . . . . 0.583 ' CG2' ' CE2' ' A' ' 632' ' ' PHE . 97.2 t -68.42 116.45 8.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.119 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 648' ' ' VAL . . . . . 0.459 ' CG2' ' CE2' ' A' ' 655' ' ' TYR . 2.7 m -128.39 121.81 56.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.142 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 649' ' ' ARG . . . . . 0.437 ' HB3' ' CG2' ' A' ' 630' ' ' VAL . 9.5 ptp85 -84.61 134.96 34.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.847 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 650' ' ' GLY . . . . . 0.469 ' N ' ' HB3' ' A' ' 628' ' ' GLU . . . 150.76 165.22 12.56 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.518 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 651' ' ' LEU . . . . . . . . . . . . . 74.1 mt -77.44 -58.47 3.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.867 0.365 . . . . 0.0 110.949 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 652' ' ' HIS . . . . . . . . . . . . . 7.8 m170 -119.29 58.92 4.59 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-O 121.627 0.727 . . . . 0.0 110.885 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 653' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.75 165.31 31.4 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.687 2.258 . . . . 0.0 112.361 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -117.42 85.26 2.3 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 655' ' ' TYR . . . . . 0.459 ' CE2' ' CG2' ' A' ' 648' ' ' VAL . 77.9 m-85 -50.69 -49.87 56.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 -179.83 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 63.4 m-20 57.92 44.54 19.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.882 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 657' ' ' PHE . . . . . . . . . . . . . 83.6 t80 -92.21 107.51 19.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 17.8 m -118.4 127.73 53.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.157 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 47.7 m -151.67 115.36 4.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.858 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 660' ' ' GLN . . . . . 0.439 ' C ' ' OE1' ' A' ' 660' ' ' GLN . 0.1 OUTLIER -116.13 158.66 22.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.881 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 661' ' ' TYR . . . . . 0.433 ' CD1' ' C ' ' A' ' 660' ' ' GLN . 47.0 m-85 -152.06 139.79 19.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 -179.848 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 662' ' ' LEU . . . . . 0.434 HD12 ' C ' ' A' ' 662' ' ' LEU . 0.2 OUTLIER -72.39 110.12 6.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.926 179.918 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 663' ' ' VAL . . . . . . . . . . . . . 26.0 m -117.54 115.14 47.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.106 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 664' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -83.28 104.63 13.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.823 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 665' ' ' VAL . . . . . 0.438 HG23 ' N ' ' A' ' 666' ' ' ASN . 12.7 p -146.46 164.51 8.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.094 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 666' ' ' ASN . . . . . 0.451 ' O ' ' C ' ' A' ' 667' ' ' ASP . 3.7 t-20 -116.13 -176.02 2.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 667' ' ' ASP . . . . . 0.451 ' C ' ' O ' ' A' ' 666' ' ' ASN . 8.5 m-20 -34.03 -36.48 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.841 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 668' ' ' LEU . . . . . 0.445 ' N ' ' O ' ' A' ' 666' ' ' ASN . 6.0 mp -38.05 -48.03 1.17 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.936 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 669' ' ' PHE . . . . . 0.578 ' CZ ' ' CD2' ' A' ' 607' ' ' PHE . 12.1 t80 -41.74 -51.79 4.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.892 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 670' ' ' LEU . . . . . . . . . . . . . 86.9 mt -45.3 -55.09 6.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.942 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 671' ' ' GLN . . . . . 0.416 ' O ' ' C ' ' A' ' 672' ' ' TYR . 0.3 OUTLIER -45.29 -59.13 2.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 672' ' ' TYR . . . . . 0.51 ' CD1' ' C ' ' A' ' 672' ' ' TYR . 0.5 OUTLIER -37.34 -41.43 0.42 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 -179.841 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 673' ' ' ILE . . . . . 0.463 ' CD1' HG23 ' A' ' 703' ' ' ILE . 17.7 mt -64.96 -48.41 84.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.136 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 674' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -59.77 -49.24 78.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.926 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 675' ' ' LYS . . . . . . . . . . . . . 73.1 mttt -76.82 -65.49 0.94 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 676' ' ' ASN . . . . . 0.424 ' N ' ' O ' ' A' ' 672' ' ' TYR . 6.3 m-20 -93.37 159.65 15.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.905 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 7.2 p -139.32 165.86 26.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.147 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 678' ' ' ILE . . . . . . . . . . . . . 4.8 mp -88.27 118.3 33.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.134 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 679' ' ' THR . . . . . 0.441 HG23 ' NE2' ' A' ' 697' ' ' GLN . 96.6 m -99.9 101.43 12.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.192 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 680' ' ' LEU . . . . . . . . . . . . . 8.3 tt -102.43 109.86 21.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.945 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 681' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -93.81 133.14 37.52 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 682' ' ' VAL . . . . . . . . . . . . . 78.5 t -101.49 103.0 14.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.136 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 683' ' ' HIS . . . . . 0.582 ' CD2' ' HB3' ' A' ' 632' ' ' PHE . 2.2 p-80 -103.57 157.05 17.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.828 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 684' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -90.17 122.4 33.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.911 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -86.48 109.14 18.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.092 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 686' ' ' TYR . . . . . 0.446 ' O ' ' C ' ' A' ' 687' ' ' SER . 33.9 m-85 -96.48 168.92 10.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.927 -179.883 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 687' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 686' ' ' TYR . 8.9 m -34.89 -62.65 0.36 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.854 -179.862 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 688' ' ' THR . . . . . . . . . . . . . 26.2 p -134.6 29.52 3.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.12 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 689' ' ' GLU . . . . . 0.596 ' C ' ' CD1' ' A' ' 690' ' ' TYR . 2.2 tp10 -142.08 154.15 44.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 690' ' ' TYR . . . . . 0.596 ' CD1' ' C ' ' A' ' 689' ' ' GLU . 1.0 OUTLIER -143.53 117.8 9.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.913 -179.877 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 691' ' ' GLU . . . . . 0.469 ' HG3' ' N ' ' A' ' 692' ' ' THR . 5.2 tp10 -131.72 153.58 49.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.926 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 692' ' ' THR . . . . . 0.469 ' N ' ' HG3' ' A' ' 691' ' ' GLU . 10.8 m -90.25 122.21 32.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.153 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 693' ' ' ILE . . . . . . . . . . . . . 6.3 pt -108.26 -26.83 3.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.147 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -139.25 159.82 41.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.142 179.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 695' ' ' ALA . . . . . . . . . . . . . . . -156.37 139.56 15.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.093 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 696' ' ' CYS . . . . . . . . . . . . . 21.5 p -144.33 168.22 20.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 697' ' ' GLN . . . . . 0.441 ' NE2' HG23 ' A' ' 679' ' ' THR . 32.5 mm-40 -120.1 110.65 16.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.884 -179.852 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 698' ' ' LEU . . . . . . . . . . . . . 50.4 mt -79.93 129.43 34.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.911 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 699' ' ' LYS . . . . . . . . . . . . . 7.2 ptpp? -148.8 135.62 19.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.917 179.816 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 700' ' ' PHE . . . . . 0.8 ' CD1' ' CE1' ' A' ' 733' ' ' PHE . 8.5 m-85 -113.06 126.36 55.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 701' ' ' HIS . . . . . . . . . . . . . 30.4 m-70 -91.32 -56.65 3.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.881 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 702' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -55.85 -35.73 66.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.912 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 703' ' ' ILE . . . . . 0.486 ' CG2' ' HB2' ' A' ' 700' ' ' PHE . 0.0 OUTLIER -46.65 -20.65 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.14 179.913 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 704' ' ' LEU . . . . . 0.481 HD22 ' N ' ' A' ' 704' ' ' LEU . 4.2 mm? -79.64 -50.55 10.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 705' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -72.76 -44.59 61.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.897 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 706' ' ' LYS . . . . . . . . . . . . . 53.2 mtmt -94.61 -179.61 4.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.912 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 707' ' ' SER . . . . . . . . . . . . . 77.4 p -152.89 105.24 2.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.872 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 708' ' ' GLY . . . . . . . . . . . . . . . 138.71 -148.3 19.85 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.525 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 709' ' ' ARG . . . . . 0.412 ' HD2' ' C ' ' A' ' 709' ' ' ARG . 7.4 tmm_? -70.19 118.34 12.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.803 0.335 . . . . 0.0 110.863 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 710' ' ' ILE . . . . . . . . . . . . . 19.3 mt -139.03 109.86 4.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.123 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 711' ' ' PHE . . . . . . . . . . . . . 30.6 m-85 -52.39 138.99 25.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 712' ' ' CYS . . . . . . . . . . . . . 20.9 m -161.2 160.99 30.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 713' ' ' THR . . . . . . . . . . . . . 19.0 p -143.21 166.45 24.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.172 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 714' ' ' ALA . . . . . . . . . . . . . . . -146.53 149.43 33.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.099 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 715' ' ' SER . . . . . . . . . . . . . 2.9 t -95.26 153.59 17.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 -179.785 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 716' ' ' LEU . . . . . . . . . . . . . 18.6 mt -115.43 139.4 50.06 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 717' ' ' ILE . . . . . 0.402 ' N ' HD13 ' A' ' 717' ' ' ILE . 4.6 mp -120.35 149.04 23.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.16 179.833 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 718' ' ' GLY . . . . . . . . . . . . . . . -78.8 139.64 22.37 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.439 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 719' ' ' THR . . . . . . . . . . . . . 50.9 p -87.49 -53.46 4.8 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.891 0.377 . . . . 0.0 111.141 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 720' ' ' LYS . . . . . . . . . . . . . 9.1 mmpt? -64.13 -41.62 97.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 721' ' ' GLY . . . . . . . . . . . . . . . -109.84 -149.7 12.8 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.479 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 722' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -134.76 64.8 1.58 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.828 0.346 . . . . 0.0 110.888 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 723' ' ' ILE . . . . . . . . . . . . . 54.7 mt -106.72 106.36 57.67 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.611 0.72 . . . . 0.0 111.157 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 724' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -51.15 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.701 2.267 . . . . 0.0 112.355 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 725' ' ' ASN . . . . . . . . . . . . . 41.5 m-20 -88.79 43.18 1.12 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 726' ' ' PHE . . . . . 0.497 ' CE2' HG23 ' A' ' 620' ' ' VAL . 16.1 t80 -56.36 -35.89 68.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 727' ' ' GLY . . . . . . . . . . . . . . . 165.76 162.5 17.2 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.496 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 728' ' ' THR . . . . . . . . . . . . . 4.4 m -111.57 152.57 27.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.845 0.355 . . . . 0.0 111.11 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 729' ' ' VAL . . . . . . . . . . . . . 14.0 p -116.76 127.69 74.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.073 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -100.77 122.47 43.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.927 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 731' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -162.01 176.07 11.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 -179.869 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 732' ' ' TRP . . . . . 0.42 ' HE1' ' CD2' ' A' ' 610' ' ' HIS . 64.6 p-90 -156.03 144.4 20.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.96 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 733' ' ' PHE . . . . . 0.8 ' CE1' ' CD1' ' A' ' 700' ' ' PHE . 13.3 p90 -114.03 172.68 6.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.905 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 734' ' ' ARG . . . . . . . . . . . . . 33.4 ttm-85 -164.09 120.61 1.64 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.845 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 735' ' ' LEU . . . . . 0.456 ' HB2' ' CD2' ' A' ' 607' ' ' PHE . 19.3 tp -131.47 104.77 7.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 736' ' ' ARG . . . . . . . . . . . . . 4.7 mmt85 -152.57 165.31 35.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 737' ' ' VAL . . . . . . . . . . . . . 9.5 p -67.29 128.74 31.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.145 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 738' ' ' SER . . . . . . . . . . . . . 18.7 t -95.49 144.12 26.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 739' ' ' GLY . . . . . 0.403 ' HA2' ' HD2' ' A' ' 740' ' ' PRO . . . 86.37 104.07 0.77 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.495 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 740' ' ' PRO . . . . . 0.403 ' HD2' ' HA2' ' A' ' 739' ' ' GLY . 53.6 Cg_endo -69.78 126.25 13.08 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.654 2.236 . . . . 0.0 112.311 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 56.8 m -72.53 104.26 3.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.827 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 15.3 m -57.41 -52.22 66.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 743' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.51 180.0 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 588' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.521 -0.232 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 3.0 t -86.14 158.72 19.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.838 0.351 . . . . 0.0 110.837 -179.715 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 590' ' ' SER . . . . . . . . . . . . . 9.8 t 68.48 42.45 1.57 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.908 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 591' ' ' GLY . . . . . . . . . . . . . . . 169.44 69.01 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.469 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 54.1 p -81.63 172.37 13.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.883 0.373 . . . . 0.0 110.859 -179.763 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 27.8 p -167.18 176.33 6.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.849 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 594' ' ' GLY . . . . . . . . . . . . . . . -150.28 -174.56 21.56 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.492 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 595' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -122.47 132.42 54.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.79 0.329 . . . . 0.0 110.842 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 596' ' ' GLU . . . . . . . . . . . . . 70.6 mm-40 -106.34 80.86 1.54 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.856 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 597' ' ' THR . . . . . . . . . . . . . 33.6 p -142.12 110.27 5.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.158 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 598' ' ' ILE . . . . . . . . . . . . . 2.9 mp -76.04 -54.64 13.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.154 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 599' ' ' HIS . . . . . . . . . . . . . 10.0 p80 -118.0 178.32 4.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.855 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 600' ' ' LEU . . . . . . . . . . . . . 7.9 mt -140.69 179.18 6.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.946 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 601' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -79.74 -174.87 4.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.869 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 602' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.26 161.72 19.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.872 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 603' ' ' GLY . . . . . . . . . . . . . . . 141.64 -109.8 0.61 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.467 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 604' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -119.32 166.04 13.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.867 0.365 . . . . 0.0 110.867 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 605' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -124.95 156.82 37.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.873 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 606' ' ' LEU . . . . . . . . . . . . . 14.6 tp -142.77 111.69 6.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.891 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 607' ' ' PHE . . . . . 0.454 ' CD2' ' CZ ' ' A' ' 637' ' ' PHE . 9.2 t80 -104.87 115.76 30.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.936 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 608' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -124.9 138.32 54.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 609' ' ' ILE . . . . . . . . . . . . . 35.6 mt -123.14 128.59 75.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.104 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 610' ' ' HIS . . . . . 0.508 ' CD2' ' C ' ' A' ' 610' ' ' HIS . 0.9 OUTLIER -122.57 133.37 54.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.823 179.904 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 25.8 mm -102.16 122.44 54.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.089 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 612' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -69.4 -67.82 0.45 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 613' ' ' LYS . . . . . . . . . . . . . 36.5 pttt -170.3 178.89 3.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 614' ' ' VAL . . . . . . . . . . . . . 92.1 t -129.97 115.5 33.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.13 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 615' ' ' THR . . . . . . . . . . . . . 62.5 m -87.34 154.41 20.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.095 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 616' ' ' PHE . . . . . 0.557 ' CD1' HG12 ' A' ' 620' ' ' VAL . 18.9 m-85 -125.71 146.21 49.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.884 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 1.1 t -106.51 163.58 12.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 618' ' ' SER . . . . . . . . . . . . . 31.5 m -42.9 -51.39 5.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.853 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 619' ' ' GLU . . . . . . . . . . . . . 10.5 mp0 -50.7 -35.06 29.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 620' ' ' VAL . . . . . 0.557 HG12 ' CD1' ' A' ' 616' ' ' PHE . 5.4 t -78.73 -41.96 24.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.14 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 621' ' ' LEU . . . . . . . . . . . . . 68.1 mt -59.1 -39.66 82.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.923 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 622' ' ' GLN . . . . . . . . . . . . . 29.7 mm-40 -53.29 -33.79 54.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.921 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -57.11 -19.48 19.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.131 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 1.3 t -134.82 -164.63 1.55 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.84 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 625' ' ' GLY . . . . . . . . . . . . . . . -139.8 -116.4 1.34 Allowed Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.469 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 626' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -90.06 29.52 1.21 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.861 0.362 . . . . 0.0 110.862 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 9.7 ptmm? -131.75 106.34 8.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 628' ' ' GLU . . . . . 0.402 ' HB2' ' N ' ' A' ' 650' ' ' GLY . 0.8 OUTLIER -54.37 126.58 55.06 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.652 0.739 . . . . 0.0 110.913 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 629' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 120.38 7.18 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.663 2.242 . . . . 0.0 112.355 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 630' ' ' VAL . . . . . . . . . . . . . 5.6 t -92.38 108.86 20.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.142 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 631' ' ' THR . . . . . 0.439 ' CG2' ' HA ' ' A' ' 684' ' ' GLN . 2.3 p -129.46 179.59 5.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.118 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 632' ' ' PHE . . . . . . . . . . . . . 27.2 p90 -158.58 145.82 17.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 633' ' ' CYS . . . . . . . . . . . . . 82.2 m -89.35 127.31 35.79 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 634' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -130.07 123.1 29.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.186 -179.857 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 635' ' ' TYR . . . . . . . . . . . . . 20.4 p90 -163.89 177.02 8.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.907 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 636' ' ' ALA . . . . . . . . . . . . . . . -132.16 157.44 44.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.103 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 637' ' ' PHE . . . . . 0.454 ' CZ ' ' CD2' ' A' ' 607' ' ' PHE . 46.0 t80 -122.96 142.42 50.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.867 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 638' ' ' TYR . . . . . . . . . . . . . 2.8 t80 47.48 27.24 0.92 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.939 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 639' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 64.06 40.33 7.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.85 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 640' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -106.21 176.88 5.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.852 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -46.33 132.04 10.35 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.915 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 642' ' ' LEU . . . . . . . . . . . . . 2.8 tp -61.05 139.57 58.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 643' ' ' GLN . . . . . 0.454 ' HA ' ' NE2' ' A' ' 643' ' ' GLN . 7.2 mm-40 -103.67 120.75 41.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.932 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 644' ' ' THR . . . . . . . . . . . . . 23.9 m -96.54 115.99 28.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.145 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 645' ' ' THR . . . . . . . . . . . . . 1.3 p -76.66 158.07 81.35 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.58 0.705 . . . . 0.0 111.15 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 646' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 130.65 19.72 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.707 2.272 . . . . 0.0 112.323 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 647' ' ' VAL . . . . . . . . . . . . . 59.0 t -68.69 124.78 25.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.14 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 28.5 t -135.19 127.22 47.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.131 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 649' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -88.08 145.16 26.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.912 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 650' ' ' GLY . . . . . 0.402 ' N ' ' HB2' ' A' ' 628' ' ' GLU . . . 146.14 -175.03 25.84 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.507 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 651' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -113.91 -37.24 4.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.827 0.346 . . . . 0.0 110.906 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 652' ' ' HIS . . . . . 0.481 ' N ' ' CD ' ' A' ' 653' ' ' PRO . 4.7 m-70 -134.06 51.38 6.36 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.563 0.697 . . . . 0.0 110.857 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 653' ' ' PRO . . . . . 0.481 ' CD ' ' N ' ' A' ' 652' ' ' HIS . 54.2 Cg_endo -69.74 -178.57 2.4 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.692 2.261 . . . . 0.0 112.35 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -133.79 91.07 2.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 655' ' ' TYR . . . . . . . . . . . . . 62.6 m-85 -45.2 -62.39 1.27 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.92 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 2.9 m120 61.61 30.15 18.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.877 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 657' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -93.49 126.54 38.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 18.6 m -121.5 144.29 48.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.101 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 83.0 p -149.23 137.49 20.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 660' ' ' GLN . . . . . 0.496 ' O ' ' CD1' ' A' ' 661' ' ' TYR . 0.0 OUTLIER -131.95 156.03 46.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.899 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 661' ' ' TYR . . . . . 0.496 ' CD1' ' O ' ' A' ' 660' ' ' GLN . 68.8 m-85 -155.18 134.78 12.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.968 -179.861 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 662' ' ' LEU . . . . . 0.531 ' CD1' ' C ' ' A' ' 662' ' ' LEU . 0.3 OUTLIER -73.96 106.79 5.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 663' ' ' VAL . . . . . . . . . . . . . 29.8 m -123.41 121.69 63.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.116 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 664' ' ' HIS . . . . . . . . . . . . . 8.2 p80 -91.12 98.77 11.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.861 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 665' ' ' VAL . . . . . . . . . . . . . 2.7 p -173.57 123.63 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.103 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 666' ' ' ASN . . . . . . . . . . . . . 33.0 m-80 -116.67 -59.77 1.93 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.895 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 667' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -68.25 -60.6 2.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.88 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -54.57 -18.42 4.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.9 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 669' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -71.98 -62.93 1.25 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.942 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 670' ' ' LEU . . . . . . . . . . . . . 18.8 mt -57.71 -41.96 82.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.922 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 671' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -52.5 -40.45 62.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 672' ' ' TYR . . . . . 0.565 ' CD1' ' C ' ' A' ' 672' ' ' TYR . 0.3 OUTLIER -71.58 -29.53 64.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.922 -179.886 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 673' ' ' ILE . . . . . 0.472 HG21 ' CG2' ' A' ' 703' ' ' ILE . 20.1 mm -66.1 -20.95 28.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.158 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 674' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -106.82 -35.11 7.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 675' ' ' LYS . . . . . . . . . . . . . 19.0 mtpp -66.19 -48.19 71.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.924 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 676' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -143.82 136.95 27.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.93 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 68.7 p -91.42 169.69 10.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.183 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 678' ' ' ILE . . . . . . . . . . . . . 17.5 mt -89.76 157.1 3.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.128 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 71.9 m -131.29 116.69 17.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.158 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 680' ' ' LEU . . . . . . . . . . . . . 7.1 tt -125.74 106.5 9.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.907 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 681' ' ' GLU . . . . . 0.46 ' HG2' ' CB ' ' A' ' 695' ' ' ALA . 13.0 mt-10 -105.71 138.79 41.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.863 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 682' ' ' VAL . . . . . . . . . . . . . 58.2 t -93.3 105.56 16.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.154 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 683' ' ' HIS . . . . . 0.478 ' N ' ' CD2' ' A' ' 683' ' ' HIS . 2.6 m170 -85.71 121.47 28.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.83 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 684' ' ' GLN . . . . . 0.439 ' HA ' ' CG2' ' A' ' 631' ' ' THR . 17.8 tt0 -88.01 115.1 25.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.865 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -88.7 103.1 15.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.099 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 686' ' ' TYR . . . . . 0.593 ' CD2' ' O ' ' A' ' 689' ' ' GLU . 3.0 m-85 -70.24 168.88 14.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.917 -179.884 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 687' ' ' SER . . . . . . . . . . . . . 28.6 t -66.36 -4.01 7.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.865 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 688' ' ' THR . . . . . . . . . . . . . 11.6 p -129.52 -56.19 1.15 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.171 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 689' ' ' GLU . . . . . 0.593 ' O ' ' CD2' ' A' ' 686' ' ' TYR . 2.5 tp10 -127.89 158.72 37.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.831 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 690' ' ' TYR . . . . . 0.438 ' CD1' ' N ' ' A' ' 690' ' ' TYR . 0.6 OUTLIER -118.15 117.01 27.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.925 -179.866 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 691' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -132.9 155.38 49.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 692' ' ' THR . . . . . . . . . . . . . 4.5 m -72.65 141.01 48.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.129 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 693' ' ' ILE . . . . . . . . . . . . . 32.3 pt -123.81 -30.62 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.105 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -131.44 162.96 28.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.096 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 695' ' ' ALA . . . . . 0.46 ' CB ' ' HG2' ' A' ' 681' ' ' GLU . . . -161.48 123.54 2.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.083 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 696' ' ' CYS . . . . . . . . . . . . . 24.5 p -130.48 171.12 13.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.845 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 697' ' ' GLN . . . . . . . . . . . . . 29.2 mm-40 -125.06 120.28 31.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.922 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 698' ' ' LEU . . . . . . . . . . . . . 4.5 mt -91.74 130.01 37.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.944 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 699' ' ' LYS . . . . . . . . . . . . . 12.5 pttt -155.48 123.45 5.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.925 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 700' ' ' PHE . . . . . 0.771 ' CD2' ' CD1' ' A' ' 733' ' ' PHE . 0.3 OUTLIER -104.29 125.47 50.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.859 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 701' ' ' HIS . . . . . . . . . . . . . 54.0 m80 -90.26 -44.72 9.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.835 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 702' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -49.39 -43.92 44.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.862 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 703' ' ' ILE . . . . . 0.472 ' CG2' HG21 ' A' ' 673' ' ' ILE . 8.1 tt -47.42 -22.21 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.122 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 704' ' ' LEU . . . . . . . . . . . . . 32.0 mt -70.6 -37.09 73.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.895 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 705' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -107.61 -52.7 2.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.843 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 706' ' ' LYS . . . . . . . . . . . . . 34.0 mttt -88.49 178.04 6.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.881 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 707' ' ' SER . . . . . . . . . . . . . 58.4 m -156.87 116.85 3.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 708' ' ' GLY . . . . . . . . . . . . . . . 138.12 -161.59 25.58 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.529 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 709' ' ' ARG . . . . . . . . . . . . . 10.1 ptt180 -62.07 84.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.807 0.336 . . . . 0.0 110.842 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 710' ' ' ILE . . . . . 0.556 HD11 ' CE2' ' A' ' 733' ' ' PHE . 13.4 mt -103.54 90.41 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.129 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 711' ' ' PHE . . . . . 0.431 ' C ' ' O ' ' A' ' 710' ' ' ILE . 97.1 m-85 -35.7 138.9 0.15 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 712' ' ' CYS . . . . . . . . . . . . . 3.1 t -164.14 157.56 18.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.897 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 713' ' ' THR . . . . . . . . . . . . . 6.8 p -145.63 170.02 17.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.151 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 714' ' ' ALA . . . . . . . . . . . . . . . -146.19 147.38 31.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.073 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 715' ' ' SER . . . . . . . . . . . . . 51.1 m -85.55 158.1 20.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.845 -179.764 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 716' ' ' LEU . . . . . . . . . . . . . 13.8 mt -119.8 134.91 55.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.936 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 717' ' ' ILE . . . . . 0.455 HD11 ' N ' ' A' ' 717' ' ' ILE . 4.7 mp -126.69 137.63 57.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.11 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 718' ' ' GLY . . . . . . . . . . . . . . . -66.6 156.17 51.29 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.452 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 719' ' ' THR . . . . . . . . . . . . . 18.3 p -89.53 -54.16 4.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.86 0.362 . . . . 0.0 111.152 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 720' ' ' LYS . . . . . . . . . . . . . 4.7 mtmp? -83.74 -70.08 0.59 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.866 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 721' ' ' GLY . . . . . . . . . . . . . . . -51.32 -25.45 12.14 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.54 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 722' ' ' ASP . . . . . . . . . . . . . 7.9 t0 64.67 38.98 6.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.828 0.347 . . . . 0.0 110.884 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 723' ' ' ILE . . . . . . . . . . . . . 15.9 mt -80.87 117.85 69.81 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.612 0.72 . . . . 0.0 111.154 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 724' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -41.79 3.96 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.691 2.261 . . . . 0.0 112.3 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 725' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -85.98 37.88 0.73 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.876 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 726' ' ' PHE . . . . . 0.411 ' CE1' HG23 ' A' ' 620' ' ' VAL . 4.6 t80 -55.56 -35.65 65.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.888 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 727' ' ' GLY . . . . . . . . . . . . . . . 148.5 -175.14 27.92 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.487 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 728' ' ' THR . . . . . . . . . . . . . 5.8 m -132.04 149.45 52.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.773 0.321 . . . . 0.0 111.158 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 729' ' ' VAL . . . . . . . . . . . . . 10.4 p -105.23 156.2 6.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.107 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 11.9 mp0 -127.08 114.66 18.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.865 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 731' ' ' TYR . . . . . . . . . . . . . 20.5 p90 -145.52 170.41 16.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.911 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 732' ' ' TRP . . . . . . . . . . . . . 32.3 p-90 -149.6 127.22 11.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.935 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 733' ' ' PHE . . . . . 0.771 ' CD1' ' CD2' ' A' ' 700' ' ' PHE . 36.2 p90 -112.09 146.03 38.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.866 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 734' ' ' ARG . . . . . 0.424 ' HD2' ' C ' ' A' ' 734' ' ' ARG . 0.4 OUTLIER -147.05 123.52 11.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.869 -179.908 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 735' ' ' LEU . . . . . . . . . . . . . 24.8 tp -120.15 105.93 11.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 736' ' ' ARG . . . . . 0.43 ' O ' ' C ' ' A' ' 737' ' ' VAL . 34.1 ttm180 -144.15 138.53 28.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.91 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 737' ' ' VAL . . . . . 0.43 ' C ' ' O ' ' A' ' 736' ' ' ARG . 1.9 p -35.55 149.24 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.106 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 738' ' ' SER . . . . . . . . . . . . . 28.3 t -109.05 123.55 49.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.888 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 739' ' ' GLY . . . . . . . . . . . . . . . -163.88 106.86 0.28 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.46 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 740' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 115.45 4.1 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.673 2.249 . . . . 0.0 112.316 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 64.5 p -81.61 -51.64 8.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 5.7 m -58.62 117.96 5.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.865 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 743' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.507 -179.991 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 588' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 N-CA-C 112.453 -0.259 . . . . 0.0 112.453 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 3.5 m 61.39 42.54 11.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.902 0.382 . . . . 0.0 110.897 -179.713 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 590' ' ' SER . . . . . . . . . . . . . 6.4 m -133.72 150.31 51.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.833 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 591' ' ' GLY . . . . . . . . . . . . . . . -75.86 -170.96 30.3 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.545 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 57.8 p -148.38 126.1 11.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.876 0.37 . . . . 0.0 110.831 -179.716 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 49.4 m -40.63 137.21 1.19 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.891 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 594' ' ' GLY . . . . . . . . . . . . . . . 154.73 -99.47 0.19 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.447 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 595' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -159.12 116.8 2.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.758 0.314 . . . . 0.0 110.884 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 596' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -139.57 121.46 15.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 597' ' ' THR . . . . . . . . . . . . . 20.4 p -56.19 101.7 0.06 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.167 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 598' ' ' ILE . . . . . . . . . . . . . 23.8 mt -38.46 119.64 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.107 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 599' ' ' HIS . . . . . . . . . . . . . 17.5 m170 -47.05 127.86 10.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 600' ' ' LEU . . . . . . . . . . . . . 20.7 mt -119.14 118.1 30.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.894 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 601' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -72.36 -11.61 60.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 602' ' ' ARG . . . . . . . . . . . . . 2.9 mpt_? -86.54 101.51 13.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.863 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 603' ' ' GLY . . . . . . . . . . . . . . . 169.35 -160.11 33.26 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.486 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 604' ' ' GLU . . . . . . . . . . . . . 4.3 pm0 -62.4 158.0 18.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.86 0.362 . . . . 0.0 110.887 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 605' ' ' ASN . . . . . . . . . . . . . 9.6 m-20 -117.17 171.49 7.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.9 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 606' ' ' LEU . . . . . . . . . . . . . 12.9 tp -141.2 108.43 5.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.94 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 607' ' ' PHE . . . . . 0.744 ' CD2' ' CE1' ' A' ' 637' ' ' PHE . 13.2 t80 -90.94 104.16 16.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.934 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 608' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -112.75 135.18 53.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.837 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 609' ' ' ILE . . . . . . . . . . . . . 68.2 mt -123.3 137.39 56.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.127 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 610' ' ' HIS . . . . . . . . . . . . . 19.3 t60 -128.15 131.36 48.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.909 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 23.4 mm -99.73 137.19 27.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.175 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 612' ' ' ASN . . . . . . . . . . . . . 10.6 m120 -93.5 -64.09 1.13 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 613' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.71 179.19 5.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 614' ' ' VAL . . . . . . . . . . . . . 95.1 t -130.49 113.67 26.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.15 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 615' ' ' THR . . . . . . . . . . . . . 39.3 m -87.18 127.11 35.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.172 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 616' ' ' PHE . . . . . 0.569 ' CD1' HG13 ' A' ' 620' ' ' VAL . 9.0 m-85 -105.33 158.72 16.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.845 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 6.3 p -96.35 164.67 12.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.863 -179.787 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 618' ' ' SER . . . . . . . . . . . . . 9.5 t -49.96 -62.36 1.61 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.865 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 619' ' ' GLU . . . . . 0.482 ' HG2' ' N ' ' A' ' 620' ' ' VAL . 24.3 pm0 -47.87 -31.26 4.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.92 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 620' ' ' VAL . . . . . 0.569 HG13 ' CD1' ' A' ' 616' ' ' PHE . 8.5 t -78.69 -31.39 15.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.157 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 621' ' ' LEU . . . . . . . . . . . . . 83.8 mt -70.79 -59.26 2.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.923 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 622' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -55.61 -40.45 72.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.88 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -44.75 -37.68 3.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.112 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 624' ' ' SER . . . . . 0.44 ' CB ' ' HG3' ' A' ' 629' ' ' PRO . 27.9 p -67.64 -56.22 10.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.927 -179.799 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 625' ' ' GLY . . . . . . . . . . . . . . . 116.04 -153.99 17.15 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.453 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 626' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -86.41 43.55 1.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.907 0.384 . . . . 0.0 110.881 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 10.6 ptpp? -144.49 177.31 8.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.917 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -106.4 99.45 24.32 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.603 0.716 . . . . 0.0 110.878 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 629' ' ' PRO . . . . . 0.44 ' HG3' ' CB ' ' A' ' 624' ' ' SER . 53.8 Cg_endo -69.75 111.25 2.76 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.731 2.288 . . . . 0.0 112.321 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 630' ' ' VAL . . . . . 0.464 HG12 ' CG1' ' A' ' 647' ' ' VAL . 9.0 t -91.4 145.6 7.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.157 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 631' ' ' THR . . . . . 0.405 HG21 ' CB ' ' A' ' 684' ' ' GLN . 1.1 p -150.24 163.38 38.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.183 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 632' ' ' PHE . . . . . 0.427 ' CD1' ' O ' ' A' ' 632' ' ' PHE . 21.5 p90 -142.67 136.54 29.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 633' ' ' CYS . . . . . . . . . . . . . 84.5 m -89.41 137.31 32.43 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 634' ' ' THR . . . . . . . . . . . . . 29.8 p -134.4 123.83 24.7 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.149 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 635' ' ' TYR . . . . . . . . . . . . . 3.8 p90 -164.05 -179.68 6.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.929 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 636' ' ' ALA . . . . . . . . . . . . . . . -147.13 155.7 42.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.074 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 637' ' ' PHE . . . . . 0.744 ' CE1' ' CD2' ' A' ' 607' ' ' PHE . 9.4 t80 -122.35 132.16 54.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.897 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 638' ' ' TYR . . . . . . . . . . . . . 5.0 t80 70.75 29.1 3.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.911 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 639' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 58.87 35.6 24.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.829 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 640' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -93.4 -179.28 5.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -55.52 140.27 41.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 642' ' ' LEU . . . . . 0.465 HD11 ' N ' ' A' ' 643' ' ' GLN . 0.3 OUTLIER -67.7 117.07 9.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.933 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 643' ' ' GLN . . . . . 0.465 ' N ' HD11 ' A' ' 642' ' ' LEU . 6.8 tp-100 -92.77 124.49 36.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.902 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 644' ' ' THR . . . . . . . . . . . . . 50.2 m -91.81 134.31 34.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.159 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 645' ' ' THR . . . . . . . . . . . . . 9.8 p -85.41 155.77 59.67 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.576 0.703 . . . . 0.0 111.165 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 646' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 133.32 25.42 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.701 2.267 . . . . 0.0 112.368 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 647' ' ' VAL . . . . . 0.464 ' CG1' HG12 ' A' ' 630' ' ' VAL . 39.7 t -69.37 129.76 33.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.113 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 84.8 t -134.14 133.16 55.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.175 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 649' ' ' ARG . . . . . 0.416 ' HD3' ' N ' ' A' ' 649' ' ' ARG . 2.0 mpp_? -86.34 136.31 33.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 650' ' ' GLY . . . . . . . . . . . . . . . 129.62 162.38 10.83 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.521 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 651' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -70.78 -56.74 5.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.858 0.361 . . . . 0.0 110.932 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 652' ' ' HIS . . . . . 0.413 ' CD2' ' N ' ' A' ' 652' ' ' HIS . 2.0 m-70 -107.44 73.47 0.38 Allowed Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.585 0.707 . . . . 0.0 110.821 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 653' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 149.2 66.26 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.691 2.261 . . . . 0.0 112.319 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -113.12 71.47 0.74 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 655' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -42.65 -52.92 4.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 2.9 m120 57.21 39.97 28.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.85 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 657' ' ' PHE . . . . . . . . . . . . . 28.7 t80 -102.24 140.77 36.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.86 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 6.8 m -132.97 137.68 46.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.176 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 54.3 p -132.34 141.1 48.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.798 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 53.2 mt-30 -105.5 152.06 23.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.923 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 661' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -141.52 111.21 6.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 662' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -73.34 101.59 3.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.918 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 663' ' ' VAL . . . . . . . . . . . . . 18.6 m -131.28 115.67 30.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.154 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 664' ' ' HIS . . . . . 0.417 ' O ' ' CG1' ' A' ' 665' ' ' VAL . 4.1 t-80 -93.95 112.15 23.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.822 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 665' ' ' VAL . . . . . 0.417 ' CG1' ' O ' ' A' ' 664' ' ' HIS . 0.6 OUTLIER -167.31 169.56 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.132 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 666' ' ' ASN . . . . . . . . . . . . . 7.2 m-80 -127.28 -67.87 0.82 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 667' ' ' ASP . . . . . . . . . . . . . 50.4 m-20 -81.8 -60.23 2.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.812 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 10.8 mp -41.21 -28.83 0.11 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 669' ' ' PHE . . . . . 0.516 ' CE2' HD13 ' A' ' 735' ' ' LEU . 1.0 OUTLIER -61.11 -69.98 0.21 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.95 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 670' ' ' LEU . . . . . . . . . . . . . 43.8 mt -61.17 -42.91 99.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.924 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 671' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -54.88 -39.15 68.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.836 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 672' ' ' TYR . . . . . 0.642 ' CD1' ' C ' ' A' ' 672' ' ' TYR . 0.0 OUTLIER -71.89 -17.2 62.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.886 -179.857 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 673' ' ' ILE . . . . . 0.482 ' CG2' HG23 ' A' ' 703' ' ' ILE . 67.9 mt -89.2 -33.56 6.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.159 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 674' ' ' GLN . . . . . . . . . . . . . 17.2 pt20 -88.75 -36.22 16.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 675' ' ' LYS . . . . . . . . . . . . . 14.0 mmmt -75.09 -72.61 0.29 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 676' ' ' ASN . . . . . 0.475 ' OD1' ' CD2' ' A' ' 672' ' ' TYR . 3.8 p30 -94.59 153.28 17.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 82.4 p -117.77 163.55 16.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.167 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 678' ' ' ILE . . . . . . . . . . . . . 4.6 mp -89.8 139.92 16.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.173 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 2.8 m -102.13 106.63 17.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.172 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 680' ' ' LEU . . . . . 0.449 ' CD2' ' O ' ' A' ' 680' ' ' LEU . 5.8 tt -120.84 100.62 7.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.943 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 681' ' ' GLU . . . . . 0.47 ' HG2' ' CB ' ' A' ' 695' ' ' ALA . 59.6 mt-10 -98.34 130.39 45.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 682' ' ' VAL . . . . . . . . . . . . . 68.7 t -95.31 102.02 13.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.121 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 683' ' ' HIS . . . . . 0.483 ' N ' ' CD2' ' A' ' 683' ' ' HIS . 0.7 OUTLIER -93.69 132.65 37.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.846 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 684' ' ' GLN . . . . . 0.405 ' CB ' HG21 ' A' ' 631' ' ' THR . 26.9 tt0 -92.34 119.97 32.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -87.23 131.81 34.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.143 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 686' ' ' TYR . . . . . 0.46 ' CD2' ' O ' ' A' ' 689' ' ' GLU . 0.6 OUTLIER -99.59 168.56 9.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.95 -179.813 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 687' ' ' SER . . . . . . . . . . . . . 17.2 m -60.95 -9.29 4.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 688' ' ' THR . . . . . . . . . . . . . 20.3 p -113.64 -72.88 0.68 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.212 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 689' ' ' GLU . . . . . 0.46 ' O ' ' CD2' ' A' ' 686' ' ' TYR . 4.2 pt-20 -123.07 -175.12 3.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 690' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -141.33 133.82 28.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.864 -179.826 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 691' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -145.13 155.5 43.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.877 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 692' ' ' THR . . . . . . . . . . . . . 62.4 m -68.89 130.89 44.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.166 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 693' ' ' ILE . . . . . . . . . . . . . 7.4 pt -122.55 -22.04 3.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.139 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -132.28 152.45 51.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.114 179.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 695' ' ' ALA . . . . . 0.47 ' CB ' ' HG2' ' A' ' 681' ' ' GLU . . . -150.99 127.74 10.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.127 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 696' ' ' CYS . . . . . . . . . . . . . 31.3 p -146.57 161.35 40.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 697' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -111.25 117.74 34.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.939 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 698' ' ' LEU . . . . . 0.441 HD11 ' CD1' ' A' ' 680' ' ' LEU . 99.0 mt -83.12 122.2 28.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.939 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 699' ' ' LYS . . . . . . . . . . . . . 6.2 pttt -147.08 124.23 11.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 700' ' ' PHE . . . . . 0.577 ' HB3' ' CZ ' ' A' ' 733' ' ' PHE . 0.5 OUTLIER -100.5 123.88 45.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.887 179.956 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 701' ' ' HIS . . . . . . . . . . . . . 42.2 m80 -90.49 -42.47 10.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.863 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 702' ' ' GLU . . . . . . . . . . . . . 7.4 mp0 -47.87 -36.68 12.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.896 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 703' ' ' ILE . . . . . 0.482 HG23 ' CG2' ' A' ' 673' ' ' ILE . 1.0 OUTLIER -47.51 -30.32 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.09 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 704' ' ' LEU . . . . . . . . . . . . . 9.9 mt -74.31 -39.48 62.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.947 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 705' ' ' GLU . . . . . . . . . . . . . 73.2 mm-40 -76.37 -70.73 0.43 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.856 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 706' ' ' LYS . . . . . . . . . . . . . 11.8 mtmt -96.24 178.12 5.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.903 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 707' ' ' SER . . . . . . . . . . . . . 25.2 p -148.16 106.61 3.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.851 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 708' ' ' GLY . . . . . . . . . . . . . . . 144.62 -138.98 8.19 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.496 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 709' ' ' ARG . . . . . . . . . . . . . 8.1 ttm180 -62.82 94.31 0.06 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.794 0.331 . . . . 0.0 110.846 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 710' ' ' ILE . . . . . . . . . . . . . 7.7 mt -135.81 126.72 43.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.127 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 711' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -112.67 154.02 26.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.878 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 712' ' ' CYS . . . . . . . . . . . . . 1.8 t -160.37 178.14 9.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.891 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 713' ' ' THR . . . . . 0.419 ' HB ' ' CG2' ' A' ' 728' ' ' THR . 28.7 p -135.55 155.63 50.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.112 -179.857 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 714' ' ' ALA . . . . . 0.419 ' HB1' ' CG1' ' A' ' 729' ' ' VAL . . . -122.16 168.82 11.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.097 179.846 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 715' ' ' SER . . . . . . . . . . . . . 41.0 t -104.76 133.02 50.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.852 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 716' ' ' LEU . . . . . . . . . . . . . 12.2 mt -103.74 150.54 23.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.932 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 717' ' ' ILE . . . . . . . . . . . . . 4.6 mp -137.2 144.76 31.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.138 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 718' ' ' GLY . . . . . . . . . . . . . . . -82.19 162.62 42.46 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.455 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 719' ' ' THR . . . . . . . . . . . . . 47.0 p -98.64 -57.23 2.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.895 0.379 . . . . 0.0 111.145 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 720' ' ' LYS . . . . . . . . . . . . . 7.5 mptt -81.16 -48.47 12.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.917 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 721' ' ' GLY . . . . . . . . . . . . . . . -74.62 -16.46 80.16 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.438 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 722' ' ' ASP . . . . . . . . . . . . . 38.1 m-20 54.58 39.08 30.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.792 0.329 . . . . 0.0 110.847 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 723' ' ' ILE . . . . . . . . . . . . . 75.3 mt -84.25 110.47 26.66 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.599 0.714 . . . . 0.0 111.099 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 724' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -27.28 26.49 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.709 2.272 . . . . 0.0 112.341 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 725' ' ' ASN . . . . . . . . . . . . . 47.6 t-20 -106.49 43.56 1.14 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.912 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 726' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -56.08 -36.58 68.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 727' ' ' GLY . . . . . . . . . . . . . . . 157.17 170.11 21.73 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.493 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 728' ' ' THR . . . . . 0.419 ' CG2' ' HB ' ' A' ' 713' ' ' THR . 7.5 m -110.97 147.1 35.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.843 0.354 . . . . 0.0 111.145 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 729' ' ' VAL . . . . . 0.419 ' CG1' ' HB1' ' A' ' 714' ' ' ALA . 11.0 p -112.22 135.8 50.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.161 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -110.08 125.39 52.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 731' ' ' TYR . . . . . 0.4 ' CD1' ' HE2' ' A' ' 700' ' ' PHE . 3.5 p90 -143.98 177.83 8.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.969 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 732' ' ' TRP . . . . . 0.565 ' CZ2' ' HB2' ' A' ' 734' ' ' ARG . 7.6 t90 -149.8 134.88 17.99 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.953 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 733' ' ' PHE . . . . . 0.577 ' CZ ' ' HB3' ' A' ' 700' ' ' PHE . 12.8 p90 -129.36 149.54 51.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.926 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 734' ' ' ARG . . . . . 0.565 ' HB2' ' CZ2' ' A' ' 732' ' ' TRP . 34.6 ttt180 -141.1 158.44 43.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.865 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 735' ' ' LEU . . . . . 0.516 HD13 ' CE2' ' A' ' 669' ' ' PHE . 23.5 tp -141.04 105.02 4.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.919 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 736' ' ' ARG . . . . . . . . . . . . . 5.4 tpm_? -152.31 136.85 16.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.863 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 737' ' ' VAL . . . . . . . . . . . . . 9.0 p -38.49 153.68 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.123 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 738' ' ' SER . . . . . . . . . . . . . 22.2 t -111.53 145.85 38.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.827 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 739' ' ' GLY . . . . . . . . . . . . . . . -81.15 129.18 8.87 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.507 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 740' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 110.99 2.68 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.655 2.237 . . . . 0.0 112.353 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 1.9 m -78.99 -53.59 6.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 20.1 p -113.79 177.87 4.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.807 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 743' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.508 -179.971 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 588' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 42.4 t -161.56 142.07 10.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.876 0.37 . . . . 0.0 110.855 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 590' ' ' SER . . . . . . . . . . . . . 22.3 t -105.68 -58.69 1.87 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.897 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 591' ' ' GLY . . . . . . . . . . . . . . . 141.91 -101.58 0.28 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.465 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 32.3 t -144.91 152.74 40.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.82 0.343 . . . . 0.0 110.872 -179.694 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 24.9 p -154.63 177.33 11.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.841 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 594' ' ' GLY . . . . . . . . . . . . . . . 154.09 -70.39 0.29 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.489 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 595' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -139.0 110.18 6.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.771 0.319 . . . . 0.0 110.87 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 596' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -106.49 106.08 16.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.861 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 597' ' ' THR . . . . . . . . . . . . . 12.1 p -66.29 113.13 4.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.122 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 598' ' ' ILE . . . . . . . . . . . . . 62.6 mt -109.86 53.42 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.136 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 599' ' ' HIS . . . . . . . . . . . . . 6.3 p-80 -134.43 47.25 2.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.822 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 600' ' ' LEU . . . . . . . . . . . . . 10.5 mt -139.9 133.93 30.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.883 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 601' ' ' GLU . . . . . . . . . . . . . 57.7 mt-10 -61.44 168.6 2.68 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.887 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 602' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.85 166.6 11.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.876 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 603' ' ' GLY . . . . . . . . . . . . . . . 120.94 -133.58 9.75 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.527 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 604' ' ' GLU . . . . . . . . . . . . . 2.6 pm0 -88.39 139.75 30.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.797 0.332 . . . . 0.0 110.926 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 605' ' ' ASN . . . . . . . . . . . . . 34.9 m120 -116.05 165.78 12.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.919 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 606' ' ' LEU . . . . . . . . . . . . . 9.3 tp -140.12 140.59 36.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.898 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 607' ' ' PHE . . . . . . . . . . . . . 31.9 t80 -139.4 124.72 19.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 608' ' ' GLU . . . . . . . . . . . . . 18.5 pt-20 -128.96 147.06 50.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.931 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 609' ' ' ILE . . . . . . . . . . . . . 39.4 mt -123.27 129.44 74.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.174 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 610' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -125.89 118.3 25.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.863 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 32.4 mm -86.56 121.94 38.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.124 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 612' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -72.68 -67.84 0.53 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.918 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 613' ' ' LYS . . . . . . . . . . . . . 2.4 ptpt -166.4 179.08 5.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.883 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 614' ' ' VAL . . . . . . . . . . . . . 70.7 t -127.16 110.85 23.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.101 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 615' ' ' THR . . . . . . . . . . . . . 89.7 m -87.36 145.06 26.48 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.137 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 616' ' ' PHE . . . . . 0.512 ' HB3' ' CG2' ' A' ' 620' ' ' VAL . 32.7 m-85 -127.67 167.78 15.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.899 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 617' ' ' SER . . . . . 0.472 ' O ' ' N ' ' A' ' 619' ' ' GLU . 27.1 t -109.01 146.57 33.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.846 -179.773 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 618' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 617' ' ' SER . 22.4 t -35.3 -32.98 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.841 -179.795 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 619' ' ' GLU . . . . . 0.472 ' N ' ' O ' ' A' ' 617' ' ' SER . 4.0 tp10 -46.72 -68.93 0.15 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.831 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 620' ' ' VAL . . . . . 0.512 ' CG2' ' HB3' ' A' ' 616' ' ' PHE . 34.0 m -65.81 -38.59 82.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.166 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 621' ' ' LEU . . . . . . . . . . . . . 29.3 mt -48.78 -50.27 34.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.921 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 622' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -76.37 -46.35 27.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -48.06 -43.1 30.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.088 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 73.9 m -63.8 -53.1 56.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 625' ' ' GLY . . . . . . . . . . . . . . . 105.47 -155.01 17.06 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.447 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 626' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -83.35 45.59 1.05 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.835 0.35 . . . . 0.0 110.876 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 10.0 ptmt -143.74 143.57 31.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -97.05 104.69 19.92 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-O 121.699 0.761 . . . . 0.0 110.881 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 629' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.8 116.72 4.69 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.66 2.24 . . . . 0.0 112.363 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 630' ' ' VAL . . . . . 0.465 HG11 ' CG1' ' A' ' 647' ' ' VAL . 4.7 t -80.36 123.56 37.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.164 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 631' ' ' THR . . . . . . . . . . . . . 38.9 p -133.49 165.43 24.89 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.119 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 632' ' ' PHE . . . . . 0.643 ' CE2' ' NE2' ' A' ' 683' ' ' HIS . 18.5 p90 -147.63 140.6 24.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.855 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 633' ' ' CYS . . . . . . . . . . . . . 73.3 m -93.14 129.51 39.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.852 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 634' ' ' THR . . . . . . . . . . . . . 10.9 p -135.66 122.19 20.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.133 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 635' ' ' TYR . . . . . . . . . . . . . 32.1 p90 -155.97 162.78 40.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 636' ' ' ALA . . . . . 0.44 ' CB ' HD22 ' A' ' 642' ' ' LEU . . . -114.46 128.54 56.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.127 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 637' ' ' PHE . . . . . 0.655 ' O ' ' CD1' ' A' ' 640' ' ' PHE . 54.5 t80 -105.44 158.9 16.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 638' ' ' TYR . . . . . 0.614 ' HB3' ' CD2' ' A' ' 640' ' ' PHE . 7.3 t80 45.39 25.02 0.19 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 -179.821 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 639' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 51.01 54.97 10.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.924 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 640' ' ' PHE . . . . . 0.655 ' CD1' ' O ' ' A' ' 637' ' ' PHE . 0.0 OUTLIER -137.75 -171.61 3.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.853 -179.835 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 641' ' ' GLU . . . . . 0.458 ' C ' ' O ' ' A' ' 640' ' ' PHE . 16.3 pt-20 -33.24 123.7 0.4 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.915 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 642' ' ' LEU . . . . . 0.552 ' CD1' ' C ' ' A' ' 642' ' ' LEU . 0.7 OUTLIER -62.45 117.31 5.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.885 -179.92 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 643' ' ' GLN . . . . . 0.473 ' N ' HD13 ' A' ' 642' ' ' LEU . 8.5 mm-40 -78.72 125.15 28.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.905 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 644' ' ' THR . . . . . . . . . . . . . 60.1 m -106.05 134.18 49.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.137 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 645' ' ' THR . . . . . . . . . . . . . 73.3 p -95.55 152.55 39.29 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.55 0.691 . . . . 0.0 111.119 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 646' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 144.26 53.65 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.652 2.234 . . . . 0.0 112.387 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 647' ' ' VAL . . . . . 0.465 ' CG1' HG11 ' A' ' 630' ' ' VAL . 58.3 t -68.34 126.18 27.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.126 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 92.6 t -136.21 111.92 11.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.15 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 649' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.95 146.4 27.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.848 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 650' ' ' GLY . . . . . . . . . . . . . . . 133.8 162.66 10.11 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.47 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 651' ' ' LEU . . . . . 0.471 ' N ' ' CD2' ' A' ' 651' ' ' LEU . 1.5 mm? -81.71 -52.2 7.4 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.868 0.366 . . . . 0.0 110.861 -179.857 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 652' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 -127.46 57.08 22.12 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.615 0.722 . . . . 0.0 110.895 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 653' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 -170.19 0.37 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.705 2.27 . . . . 0.0 112.361 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 81.5 mt-10 -132.78 77.26 1.73 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.908 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 655' ' ' TYR . . . . . . . . . . . . . 90.2 m-85 -38.85 -57.24 1.25 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.926 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 7.2 m-20 55.73 40.76 30.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.903 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 657' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -94.42 103.57 15.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 6.3 m -117.45 107.41 14.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.168 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 58.2 p -109.28 148.82 30.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.852 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -118.74 121.47 40.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.86 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 661' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -130.49 122.84 28.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.962 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 662' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -72.41 102.16 3.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.927 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 663' ' ' VAL . . . . . . . . . . . . . 35.0 m -115.23 115.58 49.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.12 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 664' ' ' HIS . . . . . 0.542 ' O ' ' CD2' ' A' ' 664' ' ' HIS . 50.1 p-80 -90.87 99.41 12.45 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 665' ' ' VAL . . . . . 0.506 HG13 ' CZ ' ' A' ' 638' ' ' TYR . 4.0 m -156.49 149.8 10.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.125 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 666' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -134.96 -62.97 0.71 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 667' ' ' ASP . . . . . . . . . . . . . 40.5 t0 -83.89 -60.09 2.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.862 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 16.6 mt -41.39 -41.88 2.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.932 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 669' ' ' PHE . . . . . 0.551 ' CE1' HD12 ' A' ' 703' ' ' ILE . 3.7 t80 -49.95 -70.72 0.08 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 670' ' ' LEU . . . . . . . . . . . . . 71.3 mt -49.64 -53.15 25.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.911 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 671' ' ' GLN . . . . . 0.421 ' O ' ' CG ' ' A' ' 675' ' ' LYS . 23.8 mt-30 -45.97 -38.22 7.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 672' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -73.64 -47.98 35.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.952 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 673' ' ' ILE . . . . . . . . . . . . . 29.5 mm -44.32 -45.96 2.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.142 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 674' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -83.81 -54.54 4.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.873 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 675' ' ' LYS . . . . . 0.421 ' CG ' ' O ' ' A' ' 671' ' ' GLN . 79.7 mttt -46.78 -58.83 3.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.897 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 676' ' ' ASN . . . . . . . . . . . . . 7.7 m-80 -119.7 159.07 25.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 11.6 p -119.69 165.8 14.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.142 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 678' ' ' ILE . . . . . . . . . . . . . 15.9 mt -90.02 147.35 5.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.119 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 51.5 m -121.04 101.42 7.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.112 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 680' ' ' LEU . . . . . 0.469 ' CB ' HD13 ' A' ' 698' ' ' LEU . 6.5 tt -109.7 101.21 10.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.923 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 681' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -96.69 132.45 42.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 682' ' ' VAL . . . . . . . . . . . . . 61.8 t -102.91 97.18 5.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.135 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 683' ' ' HIS . . . . . 0.643 ' NE2' ' CE2' ' A' ' 632' ' ' PHE . 5.4 p-80 -106.27 158.31 16.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.84 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 684' ' ' GLN . . . . . 0.526 ' HG3' ' CE1' ' A' ' 686' ' ' TYR . 13.6 pt20 -109.35 147.13 33.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -98.65 104.53 16.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.088 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 686' ' ' TYR . . . . . 0.526 ' CE1' ' HG3' ' A' ' 684' ' ' GLN . 21.1 m-85 -78.76 167.57 21.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.938 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 687' ' ' SER . . . . . . . . . . . . . 7.3 t -40.4 -61.76 0.86 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.821 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 688' ' ' THR . . . . . . . . . . . . . 8.8 t -134.81 33.6 3.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.159 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 689' ' ' GLU . . . . . 0.519 ' C ' ' CD1' ' A' ' 690' ' ' TYR . 5.7 mp0 -140.92 161.59 37.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.892 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 690' ' ' TYR . . . . . 0.519 ' CD1' ' C ' ' A' ' 689' ' ' GLU . 56.9 m-85 -154.23 118.68 4.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.93 -179.861 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 691' ' ' GLU . . . . . 0.47 ' HG3' ' N ' ' A' ' 692' ' ' THR . 33.3 tp10 -149.63 155.58 40.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.857 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 692' ' ' THR . . . . . 0.47 ' N ' ' HG3' ' A' ' 691' ' ' GLU . 25.8 m -85.8 119.77 26.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.128 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 693' ' ' ILE . . . . . . . . . . . . . 2.6 pp -108.14 -24.05 4.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.122 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -130.98 152.47 50.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.08 179.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 695' ' ' ALA . . . . . . . . . . . . . . . -164.43 133.63 3.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.12 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 696' ' ' CYS . . . . . . . . . . . . . 28.1 p -149.75 162.12 40.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.851 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 697' ' ' GLN . . . . . . . . . . . . . 7.0 mm-40 -112.84 111.43 22.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.921 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 698' ' ' LEU . . . . . 0.469 HD13 ' CB ' ' A' ' 680' ' ' LEU . 61.6 mt -82.71 135.08 35.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.874 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 699' ' ' LYS . . . . . . . . . . . . . 7.3 ptpt -154.73 128.83 8.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.945 179.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 700' ' ' PHE . . . . . 0.645 ' CD1' ' CE1' ' A' ' 733' ' ' PHE . 4.9 m-85 -100.78 124.91 47.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.899 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 701' ' ' HIS . . . . . . . . . . . . . 33.2 m-70 -91.17 -57.3 2.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.832 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 702' ' ' GLU . . . . . 0.474 ' O ' ' N ' ' A' ' 706' ' ' LYS . 50.2 mm-40 -43.33 -44.87 5.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 703' ' ' ILE . . . . . 0.551 HD12 ' CE1' ' A' ' 669' ' ' PHE . 18.2 tt -47.27 -38.03 4.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.114 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 704' ' ' LEU . . . . . . . . . . . . . 17.2 mt -64.81 -36.89 85.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.886 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 705' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -95.47 -64.93 1.01 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.924 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 706' ' ' LYS . . . . . 0.474 ' N ' ' O ' ' A' ' 702' ' ' GLU . 15.6 mttm -82.55 179.64 7.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 707' ' ' SER . . . . . . . . . . . . . 1.1 t -147.95 130.1 15.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.856 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 708' ' ' GLY . . . . . . . . . . . . . . . 117.67 -154.53 16.61 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.494 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 709' ' ' ARG . . . . . 0.418 ' C ' HG13 ' A' ' 710' ' ' ILE . 5.7 ptp180 -61.15 122.08 14.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.796 0.331 . . . . 0.0 110.88 -179.87 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 710' ' ' ILE . . . . . 0.418 HG13 ' C ' ' A' ' 709' ' ' ARG . 15.6 mt -141.25 116.49 6.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.155 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 711' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 -77.06 125.18 28.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 712' ' ' CYS . . . . . . . . . . . . . 1.7 m -150.76 160.34 43.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.891 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 713' ' ' THR . . . . . . . . . . . . . 32.1 p -142.2 164.53 29.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.152 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 714' ' ' ALA . . . . . . . . . . . . . . . -136.8 151.97 49.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.101 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 715' ' ' SER . . . . . . . . . . . . . 4.9 t -89.86 152.64 21.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.851 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 716' ' ' LEU . . . . . . . . . . . . . 11.1 mt -118.46 144.49 45.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.877 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 717' ' ' ILE . . . . . . . . . . . . . 5.2 mp -132.72 139.04 50.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.108 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 718' ' ' GLY . . . . . . . . . . . . . . . -83.39 132.13 10.87 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.501 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 719' ' ' THR . . . . . . . . . . . . . 55.9 p -79.28 -49.01 13.13 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.849 0.357 . . . . 0.0 111.15 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 720' ' ' LYS . . . . . . . . . . . . . 25.6 mmtt -77.42 -43.82 31.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.901 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 721' ' ' GLY . . . . . . . . . . . . . . . -78.63 -20.3 71.64 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.451 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 722' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 56.94 42.55 26.1 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.804 0.335 . . . . 0.0 110.847 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 723' ' ' ILE . . . . . . . . . . . . . 31.3 mt -106.59 116.3 59.22 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.58 0.705 . . . . 0.0 111.128 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 724' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.76 -38.08 8.28 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.671 2.247 . . . . 0.0 112.331 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 725' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -85.14 39.42 0.77 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.858 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 726' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -57.4 -48.78 78.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.883 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 727' ' ' GLY . . . . . . . . . . . . . . . 155.88 173.4 24.45 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.486 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 728' ' ' THR . . . . . . . . . . . . . 7.5 m -114.82 152.85 31.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.803 0.335 . . . . 0.0 111.154 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 729' ' ' VAL . . . . . 0.417 HG22 ' N ' ' A' ' 730' ' ' GLU . 7.6 p -108.83 141.39 24.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.114 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 730' ' ' GLU . . . . . 0.417 ' N ' HG22 ' A' ' 729' ' ' VAL . 15.5 mt-10 -112.09 107.24 16.1 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 731' ' ' TYR . . . . . . . . . . . . . 5.3 p90 -125.08 177.41 6.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.954 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 732' ' ' TRP . . . . . 0.575 ' CZ2' ' HB2' ' A' ' 734' ' ' ARG . 24.6 t90 -156.39 128.78 7.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.937 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 733' ' ' PHE . . . . . 0.645 ' CE1' ' CD1' ' A' ' 700' ' ' PHE . 30.3 p90 -128.67 153.28 47.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.869 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 734' ' ' ARG . . . . . 0.575 ' HB2' ' CZ2' ' A' ' 732' ' ' TRP . 0.0 OUTLIER -145.52 121.19 10.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.855 -179.874 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 735' ' ' LEU . . . . . . . . . . . . . 41.8 tp -118.7 112.64 20.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.907 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 736' ' ' ARG . . . . . . . . . . . . . 39.1 mtp180 -154.97 152.13 29.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 737' ' ' VAL . . . . . . . . . . . . . 9.0 p -49.15 137.7 4.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.139 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 738' ' ' SER . . . . . . . . . . . . . 14.4 t -101.29 136.17 41.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.857 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 739' ' ' GLY . . . . . . . . . . . . . . . -50.75 145.25 10.66 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.472 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 740' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 148.31 64.84 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.65 2.234 . . . . 0.0 112.395 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 41.1 t -161.81 151.89 16.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.877 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 60.4 p -167.88 105.15 0.5 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 743' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.501 -179.944 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 588' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 1.1 t -83.0 138.59 33.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.867 0.365 . . . . 0.0 110.85 -179.74 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 590' ' ' SER . . . . . . . . . . . . . 3.7 t -69.62 -50.13 47.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.874 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 591' ' ' GLY . . . . . . . . . . . . . . . -139.9 116.54 1.21 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.478 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 98.7 p -75.14 135.99 41.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.833 0.349 . . . . 0.0 110.835 -179.7 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 3.2 m -65.35 -52.93 50.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.834 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 594' ' ' GLY . . . . . 0.407 ' O ' ' CG ' ' A' ' 595' ' ' ASP . . . 137.94 92.12 0.27 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.482 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 595' ' ' ASP . . . . . 0.407 ' CG ' ' O ' ' A' ' 594' ' ' GLY . 40.1 m-20 -161.11 158.14 27.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.775 0.322 . . . . 0.0 110.897 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 596' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -87.5 79.88 8.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.878 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 597' ' ' THR . . . . . . . . . . . . . 33.0 p -127.67 108.03 10.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.154 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 598' ' ' ILE . . . . . . . . . . . . . 10.0 mm -107.77 65.4 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.108 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 599' ' ' HIS . . . . . 0.408 ' O ' ' CG ' ' A' ' 599' ' ' HIS . 0.1 OUTLIER -122.3 21.79 10.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.817 179.893 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 600' ' ' LEU . . . . . . . . . . . . . 5.9 mp -102.38 179.39 4.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 601' ' ' GLU . . . . . 0.445 ' O ' ' C ' ' A' ' 602' ' ' ARG . 12.7 pt-20 -75.07 153.95 38.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 602' ' ' ARG . . . . . 0.445 ' C ' ' O ' ' A' ' 601' ' ' GLU . 0.4 OUTLIER -34.81 112.11 0.14 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.85 -179.897 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 603' ' ' GLY . . . . . . . . . . . . . . . -38.58 -62.74 1.09 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.49 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 604' ' ' GLU . . . . . . . . . . . . . 24.0 pm0 -41.03 149.04 0.1 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.867 0.365 . . . . 0.0 110.907 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 605' ' ' ASN . . . . . . . . . . . . . 19.4 m-80 -132.4 168.28 18.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.899 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 606' ' ' LEU . . . . . 0.404 HD23 ' CD ' ' A' ' 608' ' ' GLU . 2.9 tt -138.83 128.79 25.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.943 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 607' ' ' PHE . . . . . . . . . . . . . 12.3 t80 -112.57 115.37 28.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 608' ' ' GLU . . . . . 0.405 ' N ' ' OE1' ' A' ' 608' ' ' GLU . 20.1 mp0 -103.89 149.39 25.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.894 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 609' ' ' ILE . . . . . . . . . . . . . 87.7 mt -148.78 114.02 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.129 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 610' ' ' HIS . . . . . 0.578 ' CD2' ' C ' ' A' ' 610' ' ' HIS . 0.4 OUTLIER -120.17 143.02 48.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.814 179.89 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 17.0 mm -107.12 126.57 63.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.108 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 612' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -75.79 -67.05 0.71 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.903 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 613' ' ' LYS . . . . . . . . . . . . . 17.4 pttt -170.61 178.84 3.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.89 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 614' ' ' VAL . . . . . . . . . . . . . 88.0 t -126.46 112.2 28.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.147 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 615' ' ' THR . . . . . . . . . . . . . 25.9 m -87.5 140.18 29.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.177 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 616' ' ' PHE . . . . . 0.513 ' CD1' HG12 ' A' ' 620' ' ' VAL . 18.3 m-85 -110.64 157.99 19.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.942 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 1.3 t -112.98 172.82 6.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 618' ' ' SER . . . . . . . . . . . . . 23.4 p -49.18 -57.29 6.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.855 -179.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 619' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -45.29 -36.19 3.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.899 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 620' ' ' VAL . . . . . 0.513 HG12 ' CD1' ' A' ' 616' ' ' PHE . 5.6 t -77.71 -41.67 28.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.13 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 621' ' ' LEU . . . . . . . . . . . . . 93.0 mt -61.97 -46.61 88.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 622' ' ' GLN . . . . . . . . . . . . . 60.8 mt-30 -56.64 -40.34 75.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.953 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -50.24 -29.62 9.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.058 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 2.7 t -134.19 -164.7 1.54 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.849 -179.771 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 625' ' ' GLY . . . . . . . . . . . . . . . -117.22 -140.94 6.79 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.523 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 626' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -101.81 34.62 2.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.901 0.381 . . . . 0.0 110.871 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 627' ' ' LYS . . . . . 0.457 ' O ' ' C ' ' A' ' 628' ' ' GLU . 9.1 pttp -100.57 107.95 19.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 628' ' ' GLU . . . . . 0.457 ' C ' ' O ' ' A' ' 627' ' ' LYS . 51.0 mt-10 -33.55 96.65 0.1 Allowed Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.64 0.733 . . . . 0.0 110.908 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 629' ' ' PRO . . . . . 0.43 ' N ' ' O ' ' A' ' 627' ' ' LYS . 54.0 Cg_endo -69.73 113.52 3.4 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.701 2.267 . . . . 0.0 112.355 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 630' ' ' VAL . . . . . 0.461 HG12 ' CG2' ' A' ' 647' ' ' VAL . 10.7 t -80.07 116.02 23.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.146 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 631' ' ' THR . . . . . . . . . . . . . 33.8 p -144.38 175.07 10.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.14 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 632' ' ' PHE . . . . . . . . . . . . . 27.7 p90 -167.54 152.0 6.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.868 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 633' ' ' CYS . . . . . . . . . . . . . 63.4 m -95.09 152.49 18.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 634' ' ' THR . . . . . . . . . . . . . 2.5 p -150.08 128.89 12.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.16 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 635' ' ' TYR . . . . . . . . . . . . . 15.2 p90 -168.83 165.72 11.66 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.911 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 636' ' ' ALA . . . . . . . . . . . . . . . -130.05 153.73 48.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.137 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 637' ' ' PHE . . . . . 0.464 ' CD1' ' HB2' ' A' ' 638' ' ' TYR . 39.4 t80 -127.42 134.68 49.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.836 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 638' ' ' TYR . . . . . 0.554 ' HB3' ' CD2' ' A' ' 640' ' ' PHE . 4.2 t80 63.45 28.87 15.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.922 -179.867 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 639' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 59.01 34.58 23.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.888 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 640' ' ' PHE . . . . . 0.554 ' CD2' ' HB3' ' A' ' 638' ' ' TYR . 10.2 m-85 -94.37 174.67 7.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -48.76 129.99 17.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.868 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 642' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.95 110.6 0.95 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.9 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 643' ' ' GLN . . . . . . . . . . . . . 2.9 tp60 -79.53 125.15 29.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 644' ' ' THR . . . . . . . . . . . . . 50.0 m -100.04 130.17 46.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.116 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 645' ' ' THR . . . . . . . . . . . . . 57.7 p -89.23 152.8 48.33 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.584 0.706 . . . . 0.0 111.102 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 646' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 115.79 4.25 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.692 2.262 . . . . 0.0 112.387 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 647' ' ' VAL . . . . . 0.461 ' CG2' HG12 ' A' ' 630' ' ' VAL . 7.4 p -71.05 141.64 16.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.138 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 648' ' ' VAL . . . . . 0.448 HG12 ' N ' ' A' ' 649' ' ' ARG . 57.8 t -138.02 140.78 39.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.103 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 649' ' ' ARG . . . . . 0.448 ' N ' HG12 ' A' ' 648' ' ' VAL . 40.7 mtm180 -85.55 124.77 32.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.847 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 650' ' ' GLY . . . . . . . . . . . . . . . 147.27 159.18 8.2 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.481 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 651' ' ' LEU . . . . . 0.407 ' N ' HD21 ' A' ' 651' ' ' LEU . 4.1 mm? -64.36 -59.44 4.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.888 0.375 . . . . 0.0 110.916 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 652' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -113.33 80.99 4.79 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.615 0.721 . . . . 0.0 110.875 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 653' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 161.91 44.11 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.682 2.255 . . . . 0.0 112.354 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -125.66 75.02 1.45 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.896 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 655' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -45.35 -62.39 1.29 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.91 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 20.2 m-80 61.86 35.68 16.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.893 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 657' ' ' PHE . . . . . . . . . . . . . 11.5 t80 -95.1 146.22 24.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 13.5 m -121.39 144.76 48.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.155 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 17.0 m -117.83 149.31 41.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.825 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -153.05 128.89 10.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.921 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 661' ' ' TYR . . . . . . . . . . . . . 75.2 m-85 -154.34 135.65 14.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.955 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 662' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -78.91 109.96 13.67 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.939 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 663' ' ' VAL . . . . . . . . . . . . . 25.6 m -128.36 119.96 51.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.149 179.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 664' ' ' HIS . . . . . . . . . . . . . 10.0 t-80 -98.68 98.33 9.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 665' ' ' VAL . . . . . . . . . . . . . 2.5 p -175.11 137.67 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.14 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 666' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -132.55 -69.35 0.58 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 667' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -46.06 -42.71 13.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 72.6 mt -84.85 -14.87 46.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.927 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 669' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -77.55 -25.32 50.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.916 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 670' ' ' LEU . . . . . . . . . . . . . 24.8 mt -84.75 -67.94 0.76 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.901 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 671' ' ' GLN . . . . . . . . . . . . . 20.5 pt20 -45.27 -25.91 0.44 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.925 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 672' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -71.13 -41.24 70.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 673' ' ' ILE . . . . . 0.463 ' CG2' HD23 ' A' ' 704' ' ' LEU . 97.1 mt -68.12 -27.62 37.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.139 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 674' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 -86.02 -54.24 4.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 675' ' ' LYS . . . . . . . . . . . . . 26.8 mtpp -58.32 -70.3 0.15 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 676' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -104.11 170.27 8.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.927 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 10.3 p -139.88 172.13 13.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.176 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 678' ' ' ILE . . . . . 0.473 ' O ' ' N ' ' A' ' 698' ' ' LEU . 5.2 mp -89.31 142.93 12.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.156 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 22.0 m -116.3 101.2 8.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.154 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 680' ' ' LEU . . . . . . . . . . . . . 4.9 tt -109.62 116.31 31.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 681' ' ' GLU . . . . . 0.433 ' HB2' ' CE1' ' A' ' 683' ' ' HIS . 9.3 mt-10 -110.99 158.8 18.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 682' ' ' VAL . . . . . . . . . . . . . 64.1 t -122.09 98.24 5.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.17 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 683' ' ' HIS . . . . . 0.433 ' CE1' ' HB2' ' A' ' 681' ' ' GLU . 2.9 m-70 -93.35 149.63 21.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.84 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 684' ' ' GLN . . . . . . . . . . . . . 15.5 mt-30 -90.03 159.56 16.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -123.67 102.49 7.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.146 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 686' ' ' TYR . . . . . 0.433 ' O ' ' C ' ' A' ' 687' ' ' SER . 1.9 m-85 -101.23 168.33 9.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.973 -179.874 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 687' ' ' SER . . . . . 0.501 ' O ' ' CG2' ' A' ' 688' ' ' THR . 3.9 m -35.29 100.25 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 688' ' ' THR . . . . . 0.501 ' CG2' ' O ' ' A' ' 687' ' ' SER . 8.1 t 44.6 48.78 8.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.135 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 689' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -139.76 159.42 42.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.919 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 690' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -147.44 117.54 7.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.957 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 691' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -149.25 150.99 33.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 692' ' ' THR . . . . . . . . . . . . . 27.6 m -92.14 140.27 29.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.159 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 693' ' ' ILE . . . . . 0.463 HG13 ' N ' ' A' ' 694' ' ' ALA . 6.5 pt -129.53 -32.05 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.066 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 694' ' ' ALA . . . . . 0.463 ' N ' HG13 ' A' ' 693' ' ' ILE . . . -124.81 155.02 40.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.104 179.823 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 695' ' ' ALA . . . . . 0.432 ' CB ' ' HG2' ' A' ' 681' ' ' GLU . . . -161.14 124.95 3.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.067 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 696' ' ' CYS . . . . . . . . . . . . . 11.8 p -143.05 165.57 27.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.836 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 697' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -114.05 118.52 34.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 698' ' ' LEU . . . . . 0.473 ' N ' ' O ' ' A' ' 678' ' ' ILE . 21.2 mt -80.15 116.91 20.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 699' ' ' LYS . . . . . . . . . . . . . 8.0 ptpt -138.99 132.28 29.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.868 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 700' ' ' PHE . . . . . 0.524 ' HB3' ' CZ ' ' A' ' 733' ' ' PHE . 2.5 m-85 -106.81 124.88 50.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.869 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 701' ' ' HIS . . . . . . . . . . . . . 28.4 m-70 -88.42 -66.53 0.91 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.858 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 702' ' ' GLU . . . . . 0.435 ' O ' ' N ' ' A' ' 706' ' ' LYS . 5.0 mp0 -48.71 -32.66 8.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.85 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 703' ' ' ILE . . . . . 0.432 ' HB ' ' CE2' ' A' ' 733' ' ' PHE . 0.1 OUTLIER -47.65 -37.33 5.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.146 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 704' ' ' LEU . . . . . 0.463 HD23 ' CG2' ' A' ' 673' ' ' ILE . 10.7 mt -69.85 -51.46 33.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 179.854 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 705' ' ' GLU . . . . . 0.464 ' HG3' ' N ' ' A' ' 706' ' ' LYS . 4.0 tp10 -73.1 -62.99 1.27 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.895 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 706' ' ' LYS . . . . . 0.465 ' HG3' ' CD1' ' A' ' 710' ' ' ILE . 9.3 ptmt -105.39 161.56 14.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.877 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 707' ' ' SER . . . . . . . . . . . . . 3.2 m -141.94 151.61 42.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 708' ' ' GLY . . . . . . . . . . . . . . . 116.84 -108.51 1.76 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.502 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 709' ' ' ARG . . . . . . . . . . . . . 1.8 ptt180 -104.06 92.03 4.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.849 0.356 . . . . 0.0 110.878 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 710' ' ' ILE . . . . . 0.465 ' CD1' ' HG3' ' A' ' 706' ' ' LYS . 11.9 mt -124.24 121.4 61.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.117 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 711' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -80.35 127.66 32.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 712' ' ' CYS . . . . . . . . . . . . . 3.5 m -149.45 169.72 20.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 713' ' ' THR . . . . . . . . . . . . . 21.9 p -150.35 166.41 30.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.173 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 714' ' ' ALA . . . . . . . . . . . . . . . -132.03 143.52 50.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.121 179.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 715' ' ' SER . . . . . . . . . . . . . 89.1 p -91.11 148.83 22.1 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.851 -179.762 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 716' ' ' LEU . . . . . . . . . . . . . 48.4 mt -110.52 143.88 40.2 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.902 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 717' ' ' ILE . . . . . 0.43 ' N ' HD12 ' A' ' 717' ' ' ILE . 4.9 mp -134.75 118.32 25.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.123 179.822 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 718' ' ' GLY . . . . . . . . . . . . . . . -57.05 145.95 36.8 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.44 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 719' ' ' THR . . . . . . . . . . . . . 14.1 p -71.57 -73.64 0.18 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.821 0.343 . . . . 0.0 111.11 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 720' ' ' LYS . . . . . . . . . . . . . 8.3 pttt -77.81 -47.49 18.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.903 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 721' ' ' GLY . . . . . . . . . . . . . . . -60.11 -35.81 88.67 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.491 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 722' ' ' ASP . . . . . . . . . . . . . 7.9 t0 65.67 50.4 1.61 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.841 0.353 . . . . 0.0 110.888 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 723' ' ' ILE . . . . . 0.412 HG23 ' N ' ' A' ' 726' ' ' PHE . 91.5 mt -99.63 107.2 44.55 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.624 0.726 . . . . 0.0 111.146 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 724' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' ' 723' ' ' ILE . 53.5 Cg_endo -69.82 -27.28 26.39 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.663 2.242 . . . . 0.0 112.293 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 725' ' ' ASN . . . . . . . . . . . . . 55.6 m-20 -101.18 25.64 7.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.856 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 726' ' ' PHE . . . . . 0.477 ' CD1' HG22 ' A' ' 620' ' ' VAL . 20.8 t80 -51.44 -35.89 41.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.904 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 727' ' ' GLY . . . . . . . . . . . . . . . 155.24 167.87 17.54 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.496 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 728' ' ' THR . . . . . . . . . . . . . 1.6 m -121.19 147.12 46.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.814 0.34 . . . . 0.0 111.171 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 729' ' ' VAL . . . . . . . . . . . . . 13.9 p -108.2 142.3 21.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.147 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -109.13 136.62 48.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 731' ' ' TYR . . . . . . . . . . . . . 5.3 p90 -164.73 169.09 17.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 732' ' ' TRP . . . . . . . . . . . . . 32.9 p-90 -147.24 128.0 14.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.917 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 733' ' ' PHE . . . . . 0.524 ' CZ ' ' HB3' ' A' ' 700' ' ' PHE . 23.3 p90 -109.78 157.84 18.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.893 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 734' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.21 124.78 5.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.868 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 735' ' ' LEU . . . . . . . . . . . . . 34.5 tp -119.55 113.92 21.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.95 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 736' ' ' ARG . . . . . . . . . . . . . 19.2 mtm180 -143.42 163.94 31.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.91 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 737' ' ' VAL . . . . . . . . . . . . . 11.9 p -61.52 144.4 13.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.144 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 738' ' ' SER . . . . . . . . . . . . . 24.5 t -134.03 152.56 51.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.829 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 739' ' ' GLY . . . . . . . . . . . . . . . -176.81 166.24 36.89 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.458 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 740' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 174.12 9.96 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.644 2.229 . . . . 0.0 112.385 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 82.9 p -166.74 156.44 11.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.837 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 43.9 p -144.37 149.76 36.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.87 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 743' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.474 -179.996 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 604' ' ' GLU . . . . . 0.603 ' HB3' HD21 ' A' ' 662' ' ' LEU . 21.0 mm-40 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.809 0.338 . . . . 0.0 110.871 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 605' ' ' ASN . . . . . . . . . . . . . 88.7 m-20 -120.5 131.63 54.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.92 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 606' ' ' LEU . . . . . . . . . . . . . 6.0 tp -110.45 119.16 38.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.946 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 607' ' ' PHE . . . . . 0.514 ' HE1' HD11 ' A' ' 609' ' ' ILE . 12.4 t80 -99.5 108.27 20.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.875 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 608' ' ' GLU . . . . . 0.402 ' HG2' ' CB ' ' A' ' 660' ' ' GLN . 3.5 mt-10 -109.88 147.72 32.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 609' ' ' ILE . . . . . 0.514 HD11 ' HE1' ' A' ' 607' ' ' PHE . 69.5 mt -139.31 109.11 3.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.113 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 610' ' ' HIS . . . . . 0.433 ' HB3' ' CE2' ' A' ' 732' ' ' TRP . 0.3 OUTLIER -108.19 118.7 37.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 179.883 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 12.6 mm -97.52 114.91 35.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.115 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 612' ' ' ASN . . . . . 0.412 ' CG ' ' HD3' ' A' ' 613' ' ' LYS . 33.4 t-20 -63.26 -67.72 0.4 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.882 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 613' ' ' LYS . . . . . 0.412 ' HD3' ' CG ' ' A' ' 612' ' ' ASN . 0.0 OUTLIER -170.17 178.65 3.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.898 179.93 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 614' ' ' VAL . . . . . 0.448 HG23 ' HE2' ' A' ' 655' ' ' TYR . 75.6 t -124.46 118.11 52.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.106 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 615' ' ' THR . . . . . 0.436 HG22 ' N ' ' A' ' 616' ' ' PHE . 7.4 m -91.15 159.2 16.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.15 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 616' ' ' PHE . . . . . 0.48 ' CG ' HG11 ' A' ' 620' ' ' VAL . 21.7 m-85 -126.56 166.4 17.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.883 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 1.1 t -100.91 157.94 16.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.873 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 618' ' ' SER . . . . . 0.509 ' HA ' HD12 ' A' ' 621' ' ' LEU . 94.4 p -43.05 -28.66 0.29 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.9 -179.826 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 619' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -72.02 -50.97 24.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.886 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 620' ' ' VAL . . . . . 0.48 HG11 ' CG ' ' A' ' 616' ' ' PHE . 4.7 t -67.81 -36.26 75.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.127 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 621' ' ' LEU . . . . . 0.509 HD12 ' HA ' ' A' ' 618' ' ' SER . 88.7 mt -56.23 -47.03 79.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.851 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 622' ' ' GLN . . . . . . . . . . . . . 55.7 mm-40 -79.69 -48.54 13.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.881 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -47.85 -30.65 4.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.087 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 2.7 t -42.44 -71.41 0.08 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 625' ' ' GLY . . . . . . . . . . . . . . . 137.09 30.0 0.28 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.463 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 626' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 53.41 30.23 10.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.951 0.405 . . . . 0.0 110.874 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 29.4 mtmm -142.11 125.32 16.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 628' ' ' GLU . . . . . 0.405 ' HA ' ' HD2' ' A' ' 629' ' ' PRO . 13.7 mt-10 -37.93 99.8 0.19 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.613 0.72 . . . . 0.0 110.879 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 629' ' ' PRO . . . . . 0.599 ' HD2' HD22 ' A' ' 651' ' ' LEU . 53.8 Cg_endo -69.73 131.7 21.83 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.74 2.293 . . . . 0.0 112.37 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 630' ' ' VAL . . . . . . . . . . . . . 2.4 t -109.37 120.54 60.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.161 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 631' ' ' THR . . . . . . . . . . . . . 9.7 p -139.14 167.67 21.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.172 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 632' ' ' PHE . . . . . 0.641 ' HE1' ' HB2' ' A' ' 685' ' ' ALA . 45.3 p90 -153.05 145.16 23.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.886 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 633' ' ' CYS . . . . . 0.69 ' SG ' HG21 ' A' ' 645' ' ' THR . 0.5 OUTLIER -109.46 163.65 13.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.88 -179.921 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 634' ' ' THR . . . . . . . . . . . . . 43.6 p -149.03 153.79 38.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.14 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 635' ' ' TYR . . . . . 0.414 ' C ' ' CD1' ' A' ' 635' ' ' TYR . 5.3 p90 -166.77 165.99 16.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.931 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 636' ' ' ALA . . . . . 0.784 ' HB2' HD12 ' A' ' 642' ' ' LEU . . . -143.75 133.96 24.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.109 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 637' ' ' PHE . . . . . 0.571 ' CD2' ' HB2' ' A' ' 638' ' ' TYR . 63.3 t80 -110.33 149.17 30.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.862 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 638' ' ' TYR . . . . . 0.571 ' HB2' ' CD2' ' A' ' 637' ' ' PHE . 3.3 t80 46.97 33.74 2.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 639' ' ' ASP . . . . . . . . . . . . . 7.5 t0 53.1 40.72 31.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.875 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 640' ' ' PHE . . . . . 0.445 ' CD2' ' HB3' ' A' ' 638' ' ' TYR . 5.5 m-85 -95.25 -174.98 3.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.866 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -61.34 127.18 30.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.862 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 642' ' ' LEU . . . . . 0.784 HD12 ' HB2' ' A' ' 636' ' ' ALA . 3.4 tp -65.54 141.88 58.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.931 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 643' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -114.5 132.69 56.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 644' ' ' THR . . . . . . . . . . . . . 59.9 m -95.11 118.13 31.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.11 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 645' ' ' THR . . . . . 0.69 HG21 ' SG ' ' A' ' 633' ' ' CYS . 46.8 p -58.0 153.27 35.07 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.562 0.696 . . . . 0.0 111.169 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 646' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 121.62 8.3 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.713 2.275 . . . . 0.0 112.324 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 647' ' ' VAL . . . . . . . . . . . . . 26.4 t -69.04 134.38 30.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.119 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 24.2 t -148.65 141.41 18.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.114 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 649' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -90.68 147.39 23.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.837 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 650' ' ' GLY . . . . . . . . . . . . . . . 135.52 -176.74 19.93 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.462 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 651' ' ' LEU . . . . . 0.599 HD22 ' HD2' ' A' ' 629' ' ' PRO . 4.2 mm? -94.81 -47.42 6.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.879 0.371 . . . . 0.0 110.964 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 652' ' ' HIS . . . . . 0.444 ' CE1' ' HB3' ' A' ' 651' ' ' LEU . 0.2 OUTLIER -129.45 70.05 81.62 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.574 0.702 . . . . 0.0 110.848 179.846 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 653' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 165.42 30.97 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.672 2.248 . . . . 0.0 112.373 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -117.09 80.14 1.44 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 655' ' ' TYR . . . . . 0.448 ' HE2' HG23 ' A' ' 614' ' ' VAL . 66.8 m-85 -40.51 -37.82 0.76 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.88 -179.84 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 44.64 38.49 2.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.874 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 657' ' ' PHE . . . . . . . . . . . . . 56.5 t80 -96.2 130.23 43.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 13.6 m -126.78 107.47 10.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.139 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 1.3 t -106.56 137.18 45.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 660' ' ' GLN . . . . . 0.402 ' CB ' ' HG2' ' A' ' 608' ' ' GLU . 3.8 pt20 -147.13 145.24 29.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.895 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 661' ' ' TYR . . . . . 0.528 ' CE1' ' CD2' ' A' ' 637' ' ' PHE . 0.6 OUTLIER -149.09 128.36 12.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.932 -179.897 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 662' ' ' LEU . . . . . 0.603 HD21 ' HB3' ' A' ' 604' ' ' GLU . 2.2 tm? -72.86 99.29 2.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.909 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 663' ' ' VAL . . . . . . . . . . . . . 10.2 m -115.76 131.92 66.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.116 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 664' ' ' HIS . . . . . 0.522 ' CG ' ' O ' ' A' ' 664' ' ' HIS . 5.0 p80 -100.72 107.1 18.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.853 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 665' ' ' VAL . . . . . 0.625 HG13 ' HD2' ' A' ' 669' ' ' PHE . 7.6 p -174.58 136.42 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.158 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 666' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -124.43 -68.76 0.84 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.915 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 667' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -56.74 -57.03 14.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.882 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 22.1 mt -62.75 -17.47 61.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 669' ' ' PHE . . . . . 0.625 ' HD2' HG13 ' A' ' 665' ' ' VAL . 1.7 t80 -70.96 -63.19 1.15 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 670' ' ' LEU . . . . . . . . . . . . . 86.2 mt -54.02 -50.48 66.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.908 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 671' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -51.65 -42.23 61.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.916 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 672' ' ' TYR . . . . . 0.463 ' C ' ' CD1' ' A' ' 672' ' ' TYR . 1.7 t80 -60.31 -47.88 84.14 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.899 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 673' ' ' ILE . . . . . 0.41 HD12 HG21 ' A' ' 703' ' ' ILE . 7.5 mm -48.92 -33.03 5.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.147 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 674' ' ' GLN . . . . . 0.527 ' HG2' HD21 ' A' ' 704' ' ' LEU . 20.9 mm100 -90.47 -62.8 1.38 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.923 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 675' ' ' LYS . . . . . . . . . . . . . 39.5 mtpt -38.34 -48.67 1.36 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.917 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 676' ' ' ASN . . . . . . . . . . . . . 15.3 p-10 -147.95 145.82 28.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.848 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 77.0 p -111.79 175.48 5.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.128 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 678' ' ' ILE . . . . . 0.431 ' O ' ' N ' ' A' ' 698' ' ' LEU . 4.8 mp -87.86 133.66 29.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.134 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 63.1 m -109.04 107.4 17.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.155 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 680' ' ' LEU . . . . . 0.702 HD23 ' O ' ' A' ' 680' ' ' LEU . 7.4 tt -114.31 101.68 9.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.902 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 681' ' ' GLU . . . . . 0.473 ' HG2' ' CB ' ' A' ' 695' ' ' ALA . 7.9 mt-10 -95.97 147.56 23.56 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 682' ' ' VAL . . . . . . . . . . . . . 77.0 t -109.18 106.1 20.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.139 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 683' ' ' HIS . . . . . 0.638 ' NE2' ' CE2' ' A' ' 632' ' ' PHE . 0.3 OUTLIER -104.89 147.3 27.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.86 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 684' ' ' GLN . . . . . 0.453 ' HB3' ' CE1' ' A' ' 686' ' ' TYR . 5.3 tt0 -86.75 123.83 32.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.903 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 685' ' ' ALA . . . . . 0.641 ' HB2' ' HE1' ' A' ' 632' ' ' PHE . . . -95.8 104.93 16.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.115 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 686' ' ' TYR . . . . . 0.453 ' CE1' ' HB3' ' A' ' 684' ' ' GLN . 6.2 m-85 -89.67 164.41 14.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.928 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 687' ' ' SER . . . . . . . . . . . . . 94.3 p -77.74 5.91 8.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.896 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 688' ' ' THR . . . . . . . . . . . . . 2.4 p -131.59 -53.9 1.01 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.135 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 689' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -130.54 178.33 6.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 690' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -141.72 124.89 16.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 691' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -141.71 155.12 45.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.886 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 692' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -90.03 143.25 26.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.125 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 693' ' ' ILE . . . . . 0.568 ' H ' HD13 ' A' ' 693' ' ' ILE . 0.3 OUTLIER -132.86 -1.2 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.163 179.911 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -153.25 151.54 30.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.095 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 695' ' ' ALA . . . . . 0.473 ' CB ' ' HG2' ' A' ' 681' ' ' GLU . . . -160.37 125.86 3.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.08 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 696' ' ' CYS . . . . . 0.41 ' SG ' HD23 ' A' ' 716' ' ' LEU . 8.1 p -132.12 171.46 13.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.913 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 697' ' ' GLN . . . . . . . . . . . . . 11.4 mm100 -112.36 111.46 22.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.935 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 698' ' ' LEU . . . . . 0.431 ' N ' ' O ' ' A' ' 678' ' ' ILE . 9.7 mt -85.23 113.24 21.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.891 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 699' ' ' LYS . . . . . . . . . . . . . 7.3 ptpp? -146.2 144.38 29.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 700' ' ' PHE . . . . . 0.471 ' CD1' ' CD1' ' A' ' 733' ' ' PHE . 3.7 m-85 -111.08 124.89 53.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 701' ' ' HIS . . . . . . . . . . . . . 6.5 m80 -88.99 -51.09 5.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.831 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 702' ' ' GLU . . . . . 0.738 ' CB ' HG21 ' A' ' 710' ' ' ILE . 1.4 mp0 -50.27 -43.12 53.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.898 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 703' ' ' ILE . . . . . 0.41 HG21 HD12 ' A' ' 673' ' ' ILE . 9.9 tt -48.13 -27.06 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.116 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 704' ' ' LEU . . . . . 0.527 HD21 ' HG2' ' A' ' 674' ' ' GLN . 12.8 mt -65.32 -36.07 82.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 705' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -107.26 -59.08 1.87 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.884 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 706' ' ' LYS . . . . . . . . . . . . . 13.0 mttt -87.54 179.47 6.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.903 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 707' ' ' SER . . . . . . . . . . . . . 5.1 m -159.48 115.8 2.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 708' ' ' GLY . . . . . . . . . . . . . . . 143.88 -149.11 21.11 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.526 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 709' ' ' ARG . . . . . . . . . . . . . 26.3 ttt180 -70.71 84.79 0.64 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.814 0.34 . . . . 0.0 110.877 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 710' ' ' ILE . . . . . 0.738 HG21 ' CB ' ' A' ' 702' ' ' GLU . 12.6 mt -107.49 96.65 4.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.149 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 711' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -52.16 133.3 33.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.938 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 712' ' ' CYS . . . . . . . . . . . . . 2.2 t -159.39 166.98 29.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 713' ' ' THR . . . . . . . . . . . . . 16.6 p -145.2 166.81 24.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.168 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 714' ' ' ALA . . . . . 0.471 ' HB3' ' CG1' ' A' ' 729' ' ' VAL . . . -137.98 145.74 42.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.094 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 715' ' ' SER . . . . . . . . . . . . . 77.9 p -93.87 154.59 17.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.88 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 716' ' ' LEU . . . . . 0.41 HD23 ' SG ' ' A' ' 696' ' ' CYS . 17.1 mt -119.85 135.15 54.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 717' ' ' ILE . . . . . . . . . . . . . 3.8 mp -122.45 140.85 45.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.165 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 718' ' ' GLY . . . . . . . . . . . . . . . -75.94 134.88 16.81 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.471 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 719' ' ' THR . . . . . . . . . . . . . 77.7 p -68.88 -58.56 3.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.807 0.337 . . . . 0.0 111.122 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 720' ' ' LYS . . . . . 0.416 ' O ' ' CG ' ' A' ' 722' ' ' ASP . 2.2 mtmp? -88.89 -65.72 0.99 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.94 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 721' ' ' GLY . . . . . . . . . . . . . . . -45.93 -23.69 1.13 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.507 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 722' ' ' ASP . . . . . 0.416 ' CG ' ' O ' ' A' ' 720' ' ' LYS . 18.1 m-20 58.22 47.31 14.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.79 0.329 . . . . 0.0 110.87 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 723' ' ' ILE . . . . . 0.405 ' HA ' ' HD2' ' A' ' 724' ' ' PRO . 56.9 mt -98.0 106.83 37.1 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.65 0.738 . . . . 0.0 111.086 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 724' ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' A' ' 723' ' ' ILE . 54.1 Cg_endo -69.78 -16.23 37.36 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.709 2.273 . . . . 0.0 112.34 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 725' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -112.67 44.31 1.5 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.861 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 726' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -62.11 -52.58 63.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.869 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 727' ' ' GLY . . . . . . . . . . . . . . . 167.33 167.78 28.52 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.46 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 728' ' ' THR . . . . . . . . . . . . . 3.6 m -114.64 146.4 40.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.852 0.358 . . . . 0.0 111.155 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 729' ' ' VAL . . . . . 0.471 ' CG1' ' HB3' ' A' ' 714' ' ' ALA . 14.5 p -106.43 137.37 37.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.154 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -107.16 108.19 19.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 731' ' ' TYR . . . . . 0.422 ' C ' ' CD1' ' A' ' 731' ' ' TYR . 7.3 p90 -144.08 170.15 16.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.95 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 732' ' ' TRP . . . . . 0.433 ' CE2' ' HB3' ' A' ' 610' ' ' HIS . 64.5 p-90 -152.38 139.55 19.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.893 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 733' ' ' PHE . . . . . 0.471 ' CD1' ' CD1' ' A' ' 700' ' ' PHE . 10.3 p90 -113.38 161.99 16.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.909 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 734' ' ' ARG . . . . . 0.407 ' C ' ' HD3' ' A' ' 734' ' ' ARG . 0.0 OUTLIER -155.39 136.06 13.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 -179.916 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 735' ' ' LEU . . . . . . . . . . . . . 35.2 tp -138.59 105.25 5.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.938 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 736' ' ' ARG . . . . . . . . . . . . . 40.7 ttt85 -145.8 166.15 26.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 737' ' ' VAL . . . . . 0.581 ' O ' HG13 ' A' ' 737' ' ' VAL . 7.1 p -65.06 108.28 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.151 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 738' ' ' SER . . . . . . . . . . . . . 3.2 t . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.82 -179.803 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 604' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.872 0.368 . . . . 0.0 110.886 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 605' ' ' ASN . . . . . . . . . . . . . 62.7 m-20 -126.71 155.72 42.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 606' ' ' LEU . . . . . 0.729 HD11 ' OE1' ' A' ' 660' ' ' GLN . 7.9 tp -128.96 107.67 9.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.922 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 607' ' ' PHE . . . . . 0.484 ' CD2' ' CZ ' ' A' ' 637' ' ' PHE . 18.4 t80 -87.87 105.94 17.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.865 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 608' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -96.61 118.01 32.19 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.903 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 609' ' ' ILE . . . . . 0.424 HD11 ' CE1' ' A' ' 637' ' ' PHE . 63.1 mt -112.29 109.72 29.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.127 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 610' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -120.29 129.89 54.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 25.7 mm -89.74 127.56 42.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.151 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 612' ' ' ASN . . . . . . . . . . . . . 53.2 m-20 -78.88 -66.06 0.91 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.926 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 613' ' ' LYS . . . . . . . . . . . . . 5.8 ptmt -161.06 178.9 8.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.913 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 614' ' ' VAL . . . . . 0.491 HG23 ' CE1' ' A' ' 655' ' ' TYR . 68.8 t -133.11 123.58 48.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.156 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 615' ' ' THR . . . . . 0.44 HG22 ' N ' ' A' ' 616' ' ' PHE . 25.1 m -97.98 157.25 16.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.073 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 616' ' ' PHE . . . . . 0.51 ' CD1' HG11 ' A' ' 620' ' ' VAL . 63.7 m-85 -133.03 161.3 34.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 617' ' ' SER . . . . . 0.429 ' O ' ' C ' ' A' ' 618' ' ' SER . 1.1 t -108.14 153.92 22.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.856 -179.808 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 618' ' ' SER . . . . . 0.612 ' HA ' HD12 ' A' ' 621' ' ' LEU . 28.9 m -34.39 -62.24 0.35 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.833 -179.811 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 619' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -38.81 -44.89 1.08 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.834 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 620' ' ' VAL . . . . . 0.51 HG11 ' CD1' ' A' ' 616' ' ' PHE . 7.1 t -76.69 -42.77 34.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.141 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 621' ' ' LEU . . . . . 0.612 HD12 ' HA ' ' A' ' 618' ' ' SER . 36.2 mt -54.31 -50.15 68.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.922 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 622' ' ' GLN . . . . . . . . . . . . . 48.2 mm-40 -70.19 -42.52 72.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.902 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -44.01 -45.67 7.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.101 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 71.4 m -57.19 -58.4 8.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.846 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 625' ' ' GLY . . . . . . . . . . . . . . . 104.93 -145.17 15.88 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.467 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 626' ' ' ASP . . . . . . . . . . . . . 39.3 t0 -91.08 41.55 1.07 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.885 0.374 . . . . 0.0 110.883 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 46.4 pttt -145.28 135.07 23.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.863 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 90.6 mt-10 -63.05 119.92 56.58 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.631 0.729 . . . . 0.0 110.826 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 629' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 126.08 12.88 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.655 2.236 . . . . 0.0 112.355 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 630' ' ' VAL . . . . . 0.519 HG12 HG21 ' A' ' 647' ' ' VAL . 23.6 t -117.39 111.64 35.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.101 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 631' ' ' THR . . . . . 0.886 HG22 ' HA ' ' A' ' 684' ' ' GLN . 53.0 p -142.16 164.44 30.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.151 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 632' ' ' PHE . . . . . . . . . . . . . 17.4 p90 -133.36 167.6 20.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.868 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 633' ' ' CYS . . . . . 0.45 ' HB3' HD11 ' A' ' 680' ' ' LEU . 77.8 m -115.46 130.23 56.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.905 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 634' ' ' THR . . . . . . . . . . . . . 11.4 p -123.12 136.82 54.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.102 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 635' ' ' TYR . . . . . 0.77 ' CD2' HD12 ' A' ' 680' ' ' LEU . 6.5 p90 -169.57 147.82 3.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 636' ' ' ALA . . . . . . . . . . . . . . . -105.36 160.15 15.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.077 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 637' ' ' PHE . . . . . 0.484 ' CZ ' ' CD2' ' A' ' 607' ' ' PHE . 4.2 t80 -105.8 156.45 18.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.842 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 638' ' ' TYR . . . . . 0.59 ' O ' ' CD2' ' A' ' 640' ' ' PHE . 3.3 t80 -34.4 100.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.952 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 639' ' ' ASP . . . . . 0.403 ' OD2' ' CE1' ' A' ' 638' ' ' TYR . 2.5 m-20 60.28 54.77 3.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.858 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 640' ' ' PHE . . . . . 0.62 ' HZ ' HG12 ' A' ' 663' ' ' VAL . 80.7 m-85 -144.53 149.65 36.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.856 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.6 149.57 48.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 642' ' ' LEU . . . . . . . . . . . . . 2.5 tp -59.17 136.59 58.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.909 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 643' ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 -116.76 125.76 52.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 644' ' ' THR . . . . . . . . . . . . . 61.0 m -85.25 134.57 34.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.155 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 645' ' ' THR . . . . . . . . . . . . . 37.3 p -91.93 153.57 43.5 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.586 0.708 . . . . 0.0 111.145 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 646' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 108.7 2.15 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.651 2.234 . . . . 0.0 112.333 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 647' ' ' VAL . . . . . 0.633 HG23 ' O ' ' A' ' 631' ' ' THR . 10.9 p -68.81 150.66 10.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.165 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 98.7 t -142.16 142.41 27.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.119 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 649' ' ' ARG . . . . . . . . . . . . . 60.2 mtt180 -84.98 129.3 34.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 650' ' ' GLY . . . . . . . . . . . . . . . 138.9 162.08 9.0 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.465 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 651' ' ' LEU . . . . . 0.417 ' C ' ' HD3' ' A' ' 653' ' ' PRO . 4.2 mm? -68.06 -67.1 0.49 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.842 0.353 . . . . 0.0 110.918 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 652' ' ' HIS . . . . . . . . . . . . . 7.8 m80 -113.46 64.97 1.08 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.598 0.714 . . . . 0.0 110.824 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 653' ' ' PRO . . . . . 0.417 ' HD3' ' C ' ' A' ' 651' ' ' LEU . 53.8 Cg_endo -69.76 178.06 4.95 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.691 2.261 . . . . 0.0 112.317 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -120.58 108.91 14.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.901 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 655' ' ' TYR . . . . . 0.491 ' CE1' HG23 ' A' ' 614' ' ' VAL . 47.3 m-85 -75.57 -48.49 22.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.952 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 41.95 38.61 1.08 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.889 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 657' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -90.34 135.85 33.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 21.6 m -109.62 136.66 48.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.169 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 90.4 p -150.89 114.21 4.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.871 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 660' ' ' GLN . . . . . 0.729 ' OE1' HD11 ' A' ' 606' ' ' LEU . 3.2 pp0? -137.6 164.74 28.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.907 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 661' ' ' TYR . . . . . . . . . . . . . 92.3 m-85 -154.96 150.97 27.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.91 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 662' ' ' LEU . . . . . 0.401 ' HA ' HD12 ' A' ' 606' ' ' LEU . 0.3 OUTLIER -73.11 107.62 5.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.94 179.951 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 663' ' ' VAL . . . . . 0.62 HG12 ' HZ ' ' A' ' 640' ' ' PHE . 16.2 m -125.24 116.09 45.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.126 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 664' ' ' HIS . . . . . 0.695 ' O ' HG13 ' A' ' 665' ' ' VAL . 6.2 t-80 -103.02 104.74 14.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.877 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 665' ' ' VAL . . . . . 0.787 HG23 ' HD2' ' A' ' 669' ' ' PHE . 0.2 OUTLIER -165.88 144.13 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.151 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 666' ' ' ASN . . . . . . . . . . . . . 10.6 t30 -113.39 -67.4 1.0 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.845 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 667' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -75.57 -56.0 5.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.833 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -50.77 -28.76 9.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.876 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 669' ' ' PHE . . . . . 0.787 ' HD2' HG23 ' A' ' 665' ' ' VAL . 3.6 t80 -59.85 -66.83 0.45 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 670' ' ' LEU . . . . . 0.501 HD22 ' HA ' ' A' ' 704' ' ' LEU . 51.1 mt -61.63 -47.08 87.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.919 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 671' ' ' GLN . . . . . . . . . . . . . 63.2 mt-30 -47.95 -48.91 31.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.921 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 672' ' ' TYR . . . . . 0.41 ' CD1' ' C ' ' A' ' 672' ' ' TYR . 0.5 OUTLIER -58.82 -29.62 67.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 -179.87 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 673' ' ' ILE . . . . . 0.621 HD13 HG21 ' A' ' 703' ' ' ILE . 63.5 mt -77.1 -56.5 7.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.118 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 674' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -61.69 -34.61 76.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 675' ' ' LYS . . . . . . . . . . . . . 28.7 mtpp -78.11 -67.01 0.77 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.854 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 676' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -109.17 164.31 12.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.894 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 25.1 p -129.79 172.31 11.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.125 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 678' ' ' ILE . . . . . . . . . . . . . 5.2 mp -91.17 139.65 17.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.139 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 22.6 m -111.26 94.29 4.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.183 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 680' ' ' LEU . . . . . 0.905 HD13 HD11 ' A' ' 698' ' ' LEU . 6.7 tt -102.9 106.19 16.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 681' ' ' GLU . . . . . 0.562 ' CD ' ' HB1' ' A' ' 695' ' ' ALA . 2.1 mm-40 -98.19 148.01 24.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 682' ' ' VAL . . . . . . . . . . . . . 87.1 t -115.01 104.76 17.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.128 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 683' ' ' HIS . . . . . 0.603 ' N ' ' CD2' ' A' ' 683' ' ' HIS . 0.2 OUTLIER -94.85 149.81 20.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 179.926 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 684' ' ' GLN . . . . . 0.886 ' HA ' HG22 ' A' ' 631' ' ' THR . 4.6 tt0 -90.27 129.56 36.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.895 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -87.8 103.91 16.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.109 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 686' ' ' TYR . . . . . 0.448 ' CZ ' ' HB3' ' A' ' 684' ' ' GLN . 30.6 m-85 -91.92 167.35 12.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 687' ' ' SER . . . . . . . . . . . . . 2.7 m -53.93 -58.41 7.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.891 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 688' ' ' THR . . . . . . . . . . . . . 77.3 p -130.22 29.53 4.88 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.123 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 689' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -141.84 160.12 40.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.917 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 690' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -151.03 116.26 5.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.952 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 691' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -149.48 155.17 39.95 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.871 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 692' ' ' THR . . . . . . . . . . . . . 36.6 m -90.41 114.48 26.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.157 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 693' ' ' ILE . . . . . . . . . . . . . 14.6 pt -94.12 -28.11 4.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.118 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -134.75 155.02 51.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.106 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 695' ' ' ALA . . . . . 0.562 ' HB1' ' CD ' ' A' ' 681' ' ' GLU . . . -157.28 126.55 5.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.129 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 696' ' ' CYS . . . . . 0.493 ' N ' ' OE1' ' A' ' 681' ' ' GLU . 31.3 p -139.79 -177.38 4.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.853 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 697' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -136.06 125.66 25.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.929 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 698' ' ' LEU . . . . . 0.905 HD11 HD13 ' A' ' 680' ' ' LEU . 46.7 mt -84.18 128.87 34.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 699' ' ' LYS . . . . . . . . . . . . . 8.9 ptpt -148.08 138.07 22.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 700' ' ' PHE . . . . . 0.479 ' CD1' ' N ' ' A' ' 700' ' ' PHE . 0.2 OUTLIER -110.2 125.35 52.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.849 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 701' ' ' HIS . . . . . . . . . . . . . 36.0 m-70 -90.57 -57.74 2.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.853 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 702' ' ' GLU . . . . . 0.484 ' HB2' HG21 ' A' ' 710' ' ' ILE . 45.2 mt-10 -50.81 -35.02 30.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.903 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 703' ' ' ILE . . . . . 0.621 HG21 HD13 ' A' ' 673' ' ' ILE . 10.1 tt -47.32 -19.09 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.155 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 704' ' ' LEU . . . . . 0.621 HD22 HG23 ' A' ' 703' ' ' ILE . 2.5 mm? -79.13 -47.92 15.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 705' ' ' GLU . . . . . 0.478 ' HG3' ' N ' ' A' ' 706' ' ' LYS . 22.6 pt-20 -80.07 -47.0 15.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 706' ' ' LYS . . . . . 0.478 ' N ' ' HG3' ' A' ' 705' ' ' GLU . 6.6 ptpt -119.63 153.94 34.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 707' ' ' SER . . . . . . . . . . . . . 67.7 m -134.09 94.68 3.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.851 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 708' ' ' GLY . . . . . . . . . . . . . . . 160.28 -136.74 4.67 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.491 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 709' ' ' ARG . . . . . 0.414 ' C ' HG13 ' A' ' 710' ' ' ILE . 16.9 mtm180 -55.88 91.03 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.796 0.331 . . . . 0.0 110.884 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 710' ' ' ILE . . . . . 0.484 HG21 ' HB2' ' A' ' 702' ' ' GLU . 7.6 mt -137.58 139.51 43.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.118 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 711' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 -105.04 149.76 25.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.908 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 712' ' ' CYS . . . . . . . . . . . . . 16.7 m -159.49 169.66 23.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.87 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 713' ' ' THR . . . . . . . . . . . . . 12.6 p -148.63 163.91 35.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.148 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 714' ' ' ALA . . . . . 0.562 ' HB3' ' CG1' ' A' ' 729' ' ' VAL . . . -141.52 141.19 33.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.08 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 715' ' ' SER . . . . . . . . . . . . . 23.5 p -91.72 148.79 21.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 716' ' ' LEU . . . . . . . . . . . . . 21.1 mt -110.42 141.05 44.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.925 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 717' ' ' ILE . . . . . . . . . . . . . 5.1 mp -124.21 145.57 31.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.166 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 718' ' ' GLY . . . . . . . . . . . . . . . -83.51 129.1 8.91 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.515 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 719' ' ' THR . . . . . . . . . . . . . 46.7 p -59.24 -61.85 2.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.863 0.363 . . . . 0.0 111.111 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 720' ' ' LYS . . . . . . . . . . . . . 28.5 mttm -86.6 -56.5 3.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.919 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 721' ' ' GLY . . . . . . . . . . . . . . . -48.98 -19.59 1.53 Allowed Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.491 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 722' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 53.67 37.32 25.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.86 0.362 . . . . 0.0 110.919 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 723' ' ' ILE . . . . . . . . . . . . . 44.3 mt -93.16 113.68 60.64 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.633 0.73 . . . . 0.0 111.117 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 724' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -29.88 23.26 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.742 2.295 . . . . 0.0 112.317 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 725' ' ' ASN . . . . . . . . . . . . . 20.7 m-20 -99.59 38.29 1.46 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.894 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 726' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -46.74 -49.8 19.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.893 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 727' ' ' GLY . . . . . . . . . . . . . . . 176.37 -144.95 7.23 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.511 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 728' ' ' THR . . . . . . . . . . . . . 48.4 m -160.91 151.72 18.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.832 0.348 . . . . 0.0 111.147 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 729' ' ' VAL . . . . . 0.562 ' CG1' ' HB3' ' A' ' 714' ' ' ALA . 12.3 p -119.2 125.33 74.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.148 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -103.62 121.72 43.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.883 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 731' ' ' TYR . . . . . . . . . . . . . 51.1 p90 -157.03 164.65 37.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.881 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 732' ' ' TRP . . . . . . . . . . . . . 42.0 p-90 -126.3 158.15 36.54 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.958 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 733' ' ' PHE . . . . . 0.455 ' N ' ' CD1' ' A' ' 733' ' ' PHE . 1.1 p90 -146.97 127.55 14.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.897 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 734' ' ' ARG . . . . . . . . . . . . . 20.5 ttp180 -136.19 112.86 10.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.913 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 735' ' ' LEU . . . . . . . . . . . . . 12.8 tp -101.43 111.41 23.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.947 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 736' ' ' ARG . . . . . . . . . . . . . 50.2 mtt180 -145.04 161.15 40.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.837 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 737' ' ' VAL . . . . . . . . . . . . . 14.6 p -52.43 145.68 2.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.151 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 738' ' ' SER . . . . . . . . . . . . . 35.9 t . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.912 -179.837 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 604' ' ' GLU . . . . . 0.749 ' HG2' HD11 ' A' ' 662' ' ' LEU . 4.8 mt-10 . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.867 0.365 . . . . 0.0 110.854 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 605' ' ' ASN . . . . . 0.47 ' O ' HG23 ' A' ' 663' ' ' VAL . 9.7 m120 -129.34 128.51 43.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.851 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 606' ' ' LEU . . . . . . . . . . . . . 18.2 tp -110.84 115.36 29.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.931 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 607' ' ' PHE . . . . . 0.499 ' HD1' HD13 ' A' ' 735' ' ' LEU . 10.3 t80 -106.13 103.69 13.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 608' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -107.35 126.41 52.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 609' ' ' ILE . . . . . . . . . . . . . 20.8 mt -116.21 120.04 63.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.124 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 610' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -121.82 131.04 53.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.842 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 30.9 mm -101.98 111.39 31.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.101 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 612' ' ' ASN . . . . . . . . . . . . . 15.3 t-20 -66.09 -67.14 0.47 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.949 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 613' ' ' LYS . . . . . . . . . . . . . 21.1 pttt -170.23 170.95 7.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.893 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 614' ' ' VAL . . . . . . . . . . . . . 14.6 t -113.6 134.65 55.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.138 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 615' ' ' THR . . . . . . . . . . . . . 8.6 m -102.3 125.52 49.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.177 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 616' ' ' PHE . . . . . 0.517 ' CD2' HG21 ' A' ' 620' ' ' VAL . 3.8 m-30 -99.03 139.43 34.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 617' ' ' SER . . . . . 0.431 ' O ' HG22 ' A' ' 620' ' ' VAL . 1.2 t -90.36 153.46 20.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.869 -179.801 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 618' ' ' SER . . . . . . . . . . . . . 36.8 p -38.15 -38.93 0.37 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.863 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 619' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -41.64 -66.86 0.3 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.886 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 620' ' ' VAL . . . . . 0.517 HG21 ' CD2' ' A' ' 616' ' ' PHE . 22.0 m -64.13 -38.92 83.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.15 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 621' ' ' LEU . . . . . 0.41 ' CD2' ' CD2' ' A' ' 651' ' ' LEU . 18.5 mt -49.3 -46.52 46.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.941 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 622' ' ' GLN . . . . . . . . . . . . . 70.3 mt-30 -73.03 -63.94 1.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.919 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -43.32 -37.44 2.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.127 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 1.2 t -78.74 -62.68 1.62 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.868 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 625' ' ' GLY . . . . . . . . . . . . . . . 110.02 -155.33 16.15 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.501 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 626' ' ' ASP . . . . . 0.41 ' CG ' ' O ' ' A' ' 626' ' ' ASP . 20.6 t0 -86.81 44.72 1.19 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.93 0.395 . . . . 0.0 110.882 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 15.1 ptmt -119.17 161.83 19.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -113.58 89.11 14.67 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.61 0.719 . . . . 0.0 110.938 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 629' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 124.6 11.27 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.647 2.231 . . . . 0.0 112.341 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 630' ' ' VAL . . . . . 0.699 HG22 ' CB ' ' A' ' 649' ' ' ARG . 4.5 t -90.26 124.07 42.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.14 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 631' ' ' THR . . . . . 0.424 HG22 ' HG3' ' A' ' 684' ' ' GLN . 11.0 p -136.41 160.18 39.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.173 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 632' ' ' PHE . . . . . . . . . . . . . 49.1 p90 -140.04 142.04 36.23 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 633' ' ' CYS . . . . . . . . . . . . . 88.6 m -93.92 148.68 21.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 634' ' ' THR . . . . . . . . . . . . . 12.9 p -147.53 131.22 16.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.144 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 635' ' ' TYR . . . . . 0.633 ' CD1' HD12 ' A' ' 680' ' ' LEU . 16.7 p90 -170.46 173.46 5.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.961 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 636' ' ' ALA . . . . . . . . . . . . . . . -134.07 155.88 49.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.12 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 637' ' ' PHE . . . . . 0.498 ' CZ ' ' HB2' ' A' ' 638' ' ' TYR . 3.4 t80 -120.14 150.24 40.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.885 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 638' ' ' TYR . . . . . 0.498 ' HB2' ' CZ ' ' A' ' 637' ' ' PHE . 12.9 t80 36.49 38.37 0.07 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 639' ' ' ASP . . . . . . . . . . . . . 55.4 m-20 54.0 47.14 24.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.87 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 640' ' ' PHE . . . . . 0.428 ' CD2' ' HB3' ' A' ' 638' ' ' TYR . 11.1 m-85 -104.67 179.82 4.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -49.92 128.02 17.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.863 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 642' ' ' LEU . . . . . 0.533 HD13 ' C ' ' A' ' 642' ' ' LEU . 1.2 tm? -54.14 112.42 0.97 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.924 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 643' ' ' GLN . . . . . 0.488 ' N ' HD13 ' A' ' 642' ' ' LEU . 12.0 mm100 -85.5 117.34 24.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 644' ' ' THR . . . . . . . . . . . . . 53.2 m -102.46 133.32 47.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.153 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 645' ' ' THR . . . . . . . . . . . . . 18.9 p -91.68 154.77 44.02 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.598 0.713 . . . . 0.0 111.116 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 646' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 141.42 45.51 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.715 2.277 . . . . 0.0 112.328 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 647' ' ' VAL . . . . . . . . . . . . . 43.5 t -68.84 131.27 33.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.145 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 648' ' ' VAL . . . . . 0.526 ' C ' HG13 ' A' ' 630' ' ' VAL . 21.5 t -140.31 132.58 32.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.147 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 649' ' ' ARG . . . . . 0.699 ' CB ' HG22 ' A' ' 630' ' ' VAL . 8.7 ptm180 -89.31 143.51 26.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 650' ' ' GLY . . . . . . . . . . . . . . . 125.56 155.0 8.88 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.498 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 651' ' ' LEU . . . . . 0.452 ' C ' ' HD3' ' A' ' 653' ' ' PRO . 6.3 mp -71.22 -46.46 61.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.846 0.355 . . . . 0.0 110.889 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 652' ' ' HIS . . . . . . . . . . . . . 15.1 m-70 -110.15 67.55 0.48 Allowed Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.567 0.698 . . . . 0.0 110.862 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 653' ' ' PRO . . . . . 0.452 ' HD3' ' C ' ' A' ' 651' ' ' LEU . 53.5 Cg_endo -69.7 124.03 10.7 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.722 2.281 . . . . 0.0 112.333 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -87.22 83.92 7.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.898 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 655' ' ' TYR . . . . . . . . . . . . . 86.1 m-85 -57.9 -53.95 52.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.958 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 14.2 m120 46.89 43.49 13.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.853 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 657' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -99.95 108.08 20.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.859 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 19.4 m -90.38 142.83 27.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.15 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 8.0 t -131.47 145.68 51.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -131.31 130.92 43.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.865 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 661' ' ' TYR . . . . . . . . . . . . . 31.3 m-85 -151.37 122.0 7.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 662' ' ' LEU . . . . . 0.749 HD11 ' HG2' ' A' ' 604' ' ' GLU . 1.1 tm? -74.75 116.13 15.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.916 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 663' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 605' ' ' ASN . 1.2 m -123.89 117.42 50.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.151 179.818 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 664' ' ' HIS . . . . . . . . . . . . . 11.0 p-80 -94.84 103.6 15.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.884 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 665' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -142.38 166.05 16.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.16 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 666' ' ' ASN . . . . . 0.44 ' O ' ' C ' ' A' ' 667' ' ' ASP . 2.0 m-80 -109.97 -174.97 2.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 667' ' ' ASP . . . . . 0.44 ' C ' ' O ' ' A' ' 666' ' ' ASN . 1.3 m-20 -34.02 -40.28 0.08 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.852 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 668' ' ' LEU . . . . . 0.43 ' O ' ' N ' ' A' ' 671' ' ' GLN . 4.6 mm? -36.59 -52.85 0.88 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 669' ' ' PHE . . . . . 0.487 ' HE1' HD11 ' A' ' 673' ' ' ILE . 10.7 t80 -36.14 -48.2 0.6 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.858 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 670' ' ' LEU . . . . . . . . . . . . . 44.8 mt -59.02 -45.87 89.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 671' ' ' GLN . . . . . 0.43 ' N ' ' O ' ' A' ' 668' ' ' LEU . 15.4 mt-30 -58.4 -40.24 81.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.879 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 672' ' ' TYR . . . . . 0.459 ' CD1' ' C ' ' A' ' 672' ' ' TYR . 0.3 OUTLIER -55.82 -44.55 77.99 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.911 -179.824 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 673' ' ' ILE . . . . . 0.676 HD13 HG21 ' A' ' 703' ' ' ILE . 85.6 mt -56.66 -29.12 28.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.134 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 674' ' ' GLN . . . . . 0.615 ' HG2' HD21 ' A' ' 704' ' ' LEU . 5.4 mm-40 -77.22 -61.39 2.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.945 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 675' ' ' LYS . . . . . . . . . . . . . 17.3 mtpp -63.12 -58.44 7.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.911 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 676' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -103.53 158.68 16.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.858 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 20.2 p -139.37 171.63 13.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.118 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 678' ' ' ILE . . . . . 0.427 ' O ' ' N ' ' A' ' 698' ' ' LEU . 15.4 mt -87.46 124.66 40.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.178 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 28.5 m -101.93 101.22 11.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.126 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 680' ' ' LEU . . . . . 0.843 HD23 ' O ' ' A' ' 680' ' ' LEU . 3.2 tt -113.83 105.28 13.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 681' ' ' GLU . . . . . . . . . . . . . 28.0 mp0 -94.24 145.2 24.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.869 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 682' ' ' VAL . . . . . . . . . . . . . 71.3 t -98.35 98.79 7.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.129 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 683' ' ' HIS . . . . . 0.429 ' CD2' ' N ' ' A' ' 683' ' ' HIS . 4.2 m170 -87.74 124.26 33.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 684' ' ' GLN . . . . . 0.508 ' OE1' HD13 ' A' ' 693' ' ' ILE . 43.7 tt0 -91.03 148.31 22.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.945 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -123.13 128.18 49.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.11 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 686' ' ' TYR . . . . . 0.433 ' CD2' ' O ' ' A' ' 689' ' ' GLU . 0.6 OUTLIER -94.65 168.44 10.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 -179.833 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 687' ' ' SER . . . . . . . . . . . . . 89.0 p -59.41 -10.73 3.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.858 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 688' ' ' THR . . . . . . . . . . . . . 24.6 p -114.31 -74.23 0.63 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.193 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 689' ' ' GLU . . . . . 0.433 ' O ' ' CD2' ' A' ' 686' ' ' TYR . 3.9 pt-20 -119.74 -178.93 3.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.918 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 690' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -135.22 139.61 44.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.928 -179.854 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 691' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -149.69 155.22 39.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 692' ' ' THR . . . . . . . . . . . . . 19.2 m -67.11 134.37 51.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.157 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 693' ' ' ILE . . . . . 0.508 HD13 ' OE1' ' A' ' 684' ' ' GLN . 5.9 pt -126.33 -25.48 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.133 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -139.01 155.03 48.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.124 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 695' ' ' ALA . . . . . . . . . . . . . . . -152.63 125.71 8.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.095 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 696' ' ' CYS . . . . . . . . . . . . . 14.6 p -144.65 171.24 14.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 697' ' ' GLN . . . . . 0.503 ' N ' ' CD ' ' A' ' 697' ' ' GLN . 0.0 OUTLIER -128.18 128.26 44.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 -179.88 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 698' ' ' LEU . . . . . 0.578 HD11 HD13 ' A' ' 680' ' ' LEU . 35.8 mt -90.74 119.25 30.81 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.9 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 699' ' ' LYS . . . . . . . . . . . . . 9.3 ptpt -134.76 133.07 39.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.943 179.792 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 700' ' ' PHE . . . . . 0.785 ' CD1' ' CD1' ' A' ' 733' ' ' PHE . 2.9 m-85 -99.17 125.92 44.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 701' ' ' HIS . . . . . . . . . . . . . 6.9 m80 -88.32 -52.76 5.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.827 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 702' ' ' GLU . . . . . 0.532 ' HB2' HG21 ' A' ' 710' ' ' ILE . 2.8 mp0 -50.4 -38.75 44.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 703' ' ' ILE . . . . . 0.688 HD12 ' CE2' ' A' ' 733' ' ' PHE . 8.5 tt -47.95 -18.92 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.146 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 704' ' ' LEU . . . . . 0.615 HD21 ' HG2' ' A' ' 674' ' ' GLN . 13.7 mt -71.09 -42.08 69.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 705' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -104.45 -48.25 3.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 706' ' ' LYS . . . . . . . . . . . . . 58.3 mttp -83.49 173.57 11.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 707' ' ' SER . . . . . . . . . . . . . 20.2 m -157.89 108.14 2.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.868 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 708' ' ' GLY . . . . . . . . . . . . . . . 140.96 -149.9 21.36 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.521 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 709' ' ' ARG . . . . . . . . . . . . . 21.2 mtp180 -63.74 98.05 0.18 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.778 0.323 . . . . 0.0 110.85 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 710' ' ' ILE . . . . . 0.532 HG21 ' HB2' ' A' ' 702' ' ' GLU . 30.6 mt -124.63 111.5 28.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.108 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 711' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -75.43 134.06 40.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 712' ' ' CYS . . . . . . . . . . . . . 86.5 m -150.38 178.51 8.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.875 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 713' ' ' THR . . . . . . . . . . . . . 34.1 p -150.72 169.31 21.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.128 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 714' ' ' ALA . . . . . . . . . . . . . . . -141.65 155.5 45.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.114 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 715' ' ' SER . . . . . . . . . . . . . 78.0 p -92.43 152.4 19.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 716' ' ' LEU . . . . . 0.558 ' C ' HD12 ' A' ' 717' ' ' ILE . 14.0 mt -116.24 143.85 44.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.956 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 717' ' ' ILE . . . . . 0.558 HD12 ' C ' ' A' ' 716' ' ' LEU . 4.5 mp -134.83 143.57 37.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.1 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 718' ' ' GLY . . . . . . . . . . . . . . . -82.41 147.74 25.9 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.493 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 719' ' ' THR . . . . . . . . . . . . . 44.3 p -78.92 -47.31 16.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.8 0.334 . . . . 0.0 111.106 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 720' ' ' LYS . . . . . . . . . . . . . 19.8 mttm -93.86 -55.76 3.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.902 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 721' ' ' GLY . . . . . . . . . . . . . . . -64.6 -7.84 29.73 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.491 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 722' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 40.38 41.11 0.97 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.778 0.323 . . . . 0.0 110.847 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 723' ' ' ILE . . . . . . . . . . . . . 81.6 mt -87.63 113.11 52.81 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.609 0.718 . . . . 0.0 111.158 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 724' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 -45.29 1.64 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.703 2.269 . . . . 0.0 112.294 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 725' ' ' ASN . . . . . . . . . . . . . 43.2 m-20 -83.64 43.11 0.88 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.846 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 726' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -62.19 -44.52 96.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.868 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 727' ' ' GLY . . . . . . . . . . . . . . . 159.63 176.27 31.51 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.483 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 728' ' ' THR . . . . . . . . . . . . . 2.4 m -122.99 145.56 48.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.842 0.353 . . . . 0.0 111.135 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 729' ' ' VAL . . . . . . . . . . . . . 11.6 p -104.25 147.39 10.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.132 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -113.74 133.03 55.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.929 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 731' ' ' TYR . . . . . 0.482 ' CE2' HD22 ' A' ' 698' ' ' LEU . 31.1 p90 -164.88 174.16 10.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.935 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 732' ' ' TRP . . . . . . . . . . . . . 69.6 p-90 -151.29 121.52 7.26 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.909 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 733' ' ' PHE . . . . . 0.785 ' CD1' ' CD1' ' A' ' 700' ' ' PHE . 25.7 p90 -102.49 145.07 30.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.857 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 734' ' ' ARG . . . . . . . . . . . . . 7.3 tmm_? -137.38 115.25 11.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.884 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 735' ' ' LEU . . . . . 0.499 HD13 ' HD1' ' A' ' 607' ' ' PHE . 46.4 tp -117.14 106.96 13.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.943 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 736' ' ' ARG . . . . . 0.47 ' HD2' ' N ' ' A' ' 737' ' ' VAL . 2.2 tmm_? -149.38 146.33 27.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 737' ' ' VAL . . . . . 0.47 ' N ' ' HD2' ' A' ' 736' ' ' ARG . 11.8 p -52.15 133.05 14.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.117 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 738' ' ' SER . . . . . . . . . . . . . 2.6 p . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.814 -179.849 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 604' ' ' GLU . . . . . 0.78 ' HB2' HD11 ' A' ' 662' ' ' LEU . 0.6 OUTLIER . . . . . 0 N--CA 1.458 -0.068 0 CA-C-O 120.853 0.358 . . . . 0.0 110.882 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 605' ' ' ASN . . . . . . . . . . . . . 26.0 m120 -117.78 148.45 42.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.901 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 606' ' ' LEU . . . . . 0.442 HD12 ' O ' ' A' ' 661' ' ' TYR . 26.4 tp -118.16 126.03 51.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 607' ' ' PHE . . . . . 0.447 ' CD2' ' HB2' ' A' ' 735' ' ' LEU . 0.5 OUTLIER -122.87 119.76 31.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.839 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 608' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -129.68 127.69 41.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.913 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 609' ' ' ILE . . . . . . . . . . . . . 57.1 mt -117.01 122.29 69.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.147 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 610' ' ' HIS . . . . . 0.576 ' HB2' HG23 ' A' ' 658' ' ' THR . 1.1 t60 -114.63 147.63 39.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 179.846 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 611' ' ' ILE . . . . . 0.429 ' N ' ' ND1' ' A' ' 610' ' ' HIS . 12.4 mm -114.29 105.2 18.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.126 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 612' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 -59.84 -67.64 0.36 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 613' ' ' LYS . . . . . . . . . . . . . 36.0 pttt -166.51 170.99 12.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 614' ' ' VAL . . . . . . . . . . . . . 9.4 p -119.69 127.36 75.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.144 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 615' ' ' THR . . . . . . . . . . . . . 89.7 m -105.2 143.83 32.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.163 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 616' ' ' PHE . . . . . 0.743 ' CD1' HG11 ' A' ' 620' ' ' VAL . 87.6 m-85 -117.06 165.35 13.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.842 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -101.28 165.27 11.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.874 -179.84 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 618' ' ' SER . . . . . 0.489 ' HA ' HD12 ' A' ' 621' ' ' LEU . 52.1 m -44.51 -62.96 1.0 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.865 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 619' ' ' GLU . . . . . 0.744 ' OE1' HD13 ' A' ' 723' ' ' ILE . 1.6 pp20? -38.3 -52.63 1.51 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.911 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 620' ' ' VAL . . . . . 0.743 HG11 ' CD1' ' A' ' 616' ' ' PHE . 4.1 t -58.86 -51.16 75.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.112 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 621' ' ' LEU . . . . . 0.489 HD12 ' HA ' ' A' ' 618' ' ' SER . 24.5 mt -54.22 -67.42 0.26 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 622' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -52.62 -41.51 63.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.891 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 623' ' ' ALA . . . . . 0.434 ' HB2' ' O ' ' A' ' 619' ' ' GLU . . . -50.54 -23.44 2.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.139 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 25.1 p -93.73 -39.46 10.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 625' ' ' GLY . . . . . . . . . . . . . . . 111.48 -149.47 18.0 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.483 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 626' ' ' ASP . . . . . . . . . . . . . 49.6 m-20 -91.88 44.97 1.19 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.841 0.353 . . . . 0.0 110.867 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 9.3 ptpp? -142.11 -176.44 4.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.922 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 628' ' ' GLU . . . . . 0.407 ' O ' ' CG ' ' A' ' 628' ' ' GLU . 4.6 pt-20 -128.6 104.12 19.37 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.624 0.726 . . . . 0.0 110.9 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 629' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 142.63 48.61 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.683 2.255 . . . . 0.0 112.398 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 630' ' ' VAL . . . . . 0.78 HG13 ' O ' ' A' ' 648' ' ' VAL . 21.4 t -94.86 130.23 43.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.081 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 631' ' ' THR . . . . . . . . . . . . . 1.2 p -150.05 162.07 41.12 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.079 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 632' ' ' PHE . . . . . 0.635 ' CZ ' ' NE2' ' A' ' 683' ' ' HIS . 2.2 p90 -146.34 158.27 43.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 633' ' ' CYS . . . . . 0.42 ' SG ' HD21 ' A' ' 680' ' ' LEU . 1.8 m -90.58 155.46 18.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 634' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -149.42 123.97 9.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.096 -179.832 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 635' ' ' TYR . . . . . 0.562 ' CD1' HD12 ' A' ' 680' ' ' LEU . 48.3 p90 -168.85 154.96 6.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.943 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 636' ' ' ALA . . . . . . . . . . . . . . . -102.81 154.93 18.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.069 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 637' ' ' PHE . . . . . 0.488 ' O ' ' C ' ' A' ' 638' ' ' TYR . 11.2 t80 -105.99 156.97 17.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 638' ' ' TYR . . . . . 0.601 ' O ' ' CD2' ' A' ' 640' ' ' PHE . 67.3 t80 -30.76 102.71 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.911 -179.809 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 639' ' ' ASP . . . . . . . . . . . . . 34.8 t70 54.95 54.96 8.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.844 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 640' ' ' PHE . . . . . 0.601 ' CD2' ' O ' ' A' ' 638' ' ' TYR . 60.7 m-85 -143.24 148.56 36.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.881 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -64.32 147.75 51.83 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.915 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 642' ' ' LEU . . . . . 0.414 HD13 ' N ' ' A' ' 643' ' ' GLN . 0.6 OUTLIER -50.79 111.39 0.54 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.926 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 643' ' ' GLN . . . . . 0.414 ' N ' HD13 ' A' ' 642' ' ' LEU . 3.5 tp60 -84.98 118.17 24.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.938 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 644' ' ' THR . . . . . . . . . . . . . 3.3 m -94.32 117.66 30.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.125 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 645' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -71.85 159.78 84.49 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.552 0.691 . . . . 0.0 111.157 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 646' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 126.1 12.92 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.655 2.237 . . . . 0.0 112.349 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 647' ' ' VAL . . . . . . . . . . . . . 39.0 t -73.41 133.44 31.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.081 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 648' ' ' VAL . . . . . 0.78 ' O ' HG13 ' A' ' 630' ' ' VAL . 48.1 t -137.31 156.13 32.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.152 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 649' ' ' ARG . . . . . 0.469 ' N ' HG12 ' A' ' 648' ' ' VAL . 20.2 mtt180 -96.72 123.99 40.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 650' ' ' GLY . . . . . . . . . . . . . . . 147.05 -169.51 28.09 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.473 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 651' ' ' LEU . . . . . 0.425 HD22 HD23 ' A' ' 621' ' ' LEU . 8.5 mt -115.2 -46.47 2.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.856 0.36 . . . . 0.0 110.973 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 652' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -118.13 57.29 2.68 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.593 0.711 . . . . 0.0 110.882 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 653' ' ' PRO . . . . . 0.41 ' HD3' ' C ' ' A' ' 651' ' ' LEU . 54.2 Cg_endo -69.74 178.72 4.28 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.66 2.24 . . . . 0.0 112.353 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 654' ' ' GLU . . . . . 0.428 ' O ' ' C ' ' A' ' 655' ' ' TYR . 35.0 mt-10 -128.73 72.08 1.44 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 655' ' ' TYR . . . . . 0.428 ' C ' ' O ' ' A' ' 654' ' ' GLU . 85.0 m-85 -35.65 -46.81 0.44 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.927 -179.847 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 10.6 m-20 56.78 44.03 24.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.886 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 657' ' ' PHE . . . . . . . . . . . . . 16.6 t80 -97.7 109.42 22.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 658' ' ' THR . . . . . 0.576 HG23 ' HB2' ' A' ' 610' ' ' HIS . 1.8 m -124.01 94.89 4.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.168 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 1.9 m -97.22 152.6 18.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.845 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 82.0 mt-30 -135.9 131.08 34.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 661' ' ' TYR . . . . . 0.442 ' O ' HD12 ' A' ' 606' ' ' LEU . 53.4 m-85 -146.73 133.35 19.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.964 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 662' ' ' LEU . . . . . 0.78 HD11 ' HB2' ' A' ' 604' ' ' GLU . 0.6 OUTLIER -80.58 110.97 16.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.93 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 663' ' ' VAL . . . . . . . . . . . . . 8.0 m -107.83 119.43 57.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.099 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 664' ' ' HIS . . . . . . . . . . . . . 1.8 p-80 -86.02 108.65 18.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.893 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 665' ' ' VAL . . . . . 0.743 HG22 ' H ' ' A' ' 666' ' ' ASN . 1.3 p -156.4 -177.58 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.122 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 666' ' ' ASN . . . . . 0.743 ' H ' HG22 ' A' ' 665' ' ' VAL . 0.7 OUTLIER -129.09 -174.81 3.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 667' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -44.02 -33.41 1.42 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.915 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -43.39 -36.43 1.93 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 669' ' ' PHE . . . . . 0.515 ' HB2' HG11 ' A' ' 665' ' ' VAL . 3.2 t80 -50.58 -44.92 56.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.85 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 670' ' ' LEU . . . . . 0.624 HD22 ' O ' ' A' ' 703' ' ' ILE . 80.9 mt -49.88 -46.42 51.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.932 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 671' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -53.68 -50.45 65.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.906 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 672' ' ' TYR . . . . . 0.408 ' CD1' ' C ' ' A' ' 672' ' ' TYR . 0.5 OUTLIER -45.79 -22.73 0.2 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.881 -179.801 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 673' ' ' ILE . . . . . 0.458 HG21 ' CG2' ' A' ' 703' ' ' ILE . 4.0 mm -75.38 -46.52 37.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.133 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 674' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -76.17 -42.27 47.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 675' ' ' LYS . . . . . . . . . . . . . 41.8 mmtt -63.37 -56.46 16.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 676' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -125.27 156.49 38.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.908 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 7.7 p -124.49 164.38 19.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.14 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 678' ' ' ILE . . . . . 0.477 ' O ' ' N ' ' A' ' 698' ' ' LEU . 4.8 mp -90.69 138.18 20.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.179 179.856 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 5.4 m -101.33 118.06 36.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.132 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 680' ' ' LEU . . . . . 0.72 HD13 HD11 ' A' ' 698' ' ' LEU . 7.7 tt -121.0 103.74 9.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 681' ' ' GLU . . . . . 0.463 ' OE1' ' N ' ' A' ' 681' ' ' GLU . 3.2 mp0 -102.37 142.64 33.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.837 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 682' ' ' VAL . . . . . . . . . . . . . 61.8 t -115.11 98.64 7.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.125 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 683' ' ' HIS . . . . . 0.635 ' NE2' ' CZ ' ' A' ' 632' ' ' PHE . 3.5 p-80 -97.83 153.48 18.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.828 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 684' ' ' GLN . . . . . . . . . . . . . 48.7 tt0 -98.97 125.01 44.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.959 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 685' ' ' ALA . . . . . 0.595 ' HB1' ' CE2' ' A' ' 690' ' ' TYR . . . -94.46 113.67 25.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.117 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 686' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 -93.52 168.16 11.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 687' ' ' SER . . . . . . . . . . . . . 18.5 m -85.46 6.26 27.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.859 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 688' ' ' THR . . . . . . . . . . . . . 78.5 p -132.0 -47.4 0.93 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.132 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 689' ' ' GLU . . . . . 0.498 ' C ' ' CD1' ' A' ' 690' ' ' TYR . 2.1 pt-20 -133.26 -177.46 4.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 690' ' ' TYR . . . . . 0.595 ' CE2' ' HB1' ' A' ' 685' ' ' ALA . 26.0 m-85 -147.23 120.35 8.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.893 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 691' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -146.19 145.49 30.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.884 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 692' ' ' THR . . . . . 0.465 HG23 ' HB3' ' A' ' 683' ' ' HIS . 1.0 OUTLIER -68.24 158.2 33.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.135 -179.926 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 693' ' ' ILE . . . . . 0.481 HG13 ' N ' ' A' ' 694' ' ' ALA . 34.0 pt -133.77 -33.7 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.113 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 694' ' ' ALA . . . . . 0.481 ' N ' HG13 ' A' ' 693' ' ' ILE . . . -139.82 152.84 46.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.103 179.841 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 695' ' ' ALA . . . . . . . . . . . . . . . -151.65 121.79 7.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.142 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 696' ' ' CYS . . . . . . . . . . . . . 15.1 p -136.11 176.07 9.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.929 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 697' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -127.66 119.53 26.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 698' ' ' LEU . . . . . 0.72 HD11 HD13 ' A' ' 680' ' ' LEU . 12.1 mt -73.46 121.53 20.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 699' ' ' LYS . . . . . . . . . . . . . 10.4 ptpt -143.77 125.23 14.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 700' ' ' PHE . . . . . 0.546 ' CD2' ' CE1' ' A' ' 733' ' ' PHE . 1.4 m-85 -108.63 125.08 51.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.864 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 701' ' ' HIS . . . . . . . . . . . . . 53.1 m-70 -89.15 -46.8 8.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.85 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 702' ' ' GLU . . . . . 0.502 ' HB2' HG21 ' A' ' 710' ' ' ILE . 9.2 mt-10 -53.43 -26.66 20.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.893 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 703' ' ' ILE . . . . . 0.624 ' O ' HD22 ' A' ' 670' ' ' LEU . 5.8 tt -71.97 2.08 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.1 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 704' ' ' LEU . . . . . . . . . . . . . 59.4 mt -100.03 -19.7 16.4 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.92 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 705' ' ' GLU . . . . . 0.458 ' OE1' ' C ' ' A' ' 705' ' ' GLU . 0.0 OUTLIER -116.93 -33.44 4.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.848 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 706' ' ' LYS . . . . . 0.411 ' HG2' ' HG3' ' A' ' 705' ' ' GLU . 9.0 ptpp? -122.96 159.89 27.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 707' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -139.44 128.68 23.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 708' ' ' GLY . . . . . 0.457 ' O ' ' N ' ' A' ' 710' ' ' ILE . . . 125.94 -144.38 15.07 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.494 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 709' ' ' ARG . . . . . . . . . . . . . 51.6 mtt180 -55.96 84.62 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.819 0.343 . . . . 0.0 110.853 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 710' ' ' ILE . . . . . 0.502 HG21 ' HB2' ' A' ' 702' ' ' GLU . 20.2 mt -124.0 125.98 71.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.103 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 711' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -95.89 144.37 26.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.91 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 712' ' ' CYS . . . . . . . . . . . . . 7.1 t -162.54 169.43 20.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 713' ' ' THR . . . . . . . . . . . . . 19.3 p -142.88 167.59 21.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.117 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 714' ' ' ALA . . . . . 0.645 ' HB2' ' OH ' ' A' ' 731' ' ' TYR . . . -131.96 146.86 52.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.081 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 715' ' ' SER . . . . . . . . . . . . . 29.5 p -89.44 149.58 22.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.84 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 716' ' ' LEU . . . . . . . . . . . . . 24.4 mt -116.82 133.55 55.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.913 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 717' ' ' ILE . . . . . . . . . . . . . 3.7 mp -121.16 118.35 55.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.112 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 718' ' ' GLY . . . . . 0.507 ' CA ' ' CD2' ' A' ' 726' ' ' PHE . . . -51.47 168.63 0.51 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.521 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 719' ' ' THR . . . . . . . . . . . . . 75.5 p -112.87 -30.09 7.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.881 0.372 . . . . 0.0 111.159 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 720' ' ' LYS . . . . . . . . . . . . . 10.5 mttm -72.06 -65.31 0.79 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.878 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 721' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 722' ' ' ASP . . . -108.21 31.11 8.18 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.439 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 722' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 721' ' ' GLY . 27.3 t70 37.52 48.85 0.94 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.77 0.319 . . . . 0.0 110.83 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 723' ' ' ILE . . . . . 0.744 HD13 ' OE1' ' A' ' 619' ' ' GLU . 93.7 mt -69.45 113.38 16.52 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.606 0.717 . . . . 0.0 111.138 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 724' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -36.62 10.53 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.719 2.279 . . . . 0.0 112.343 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 725' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -91.72 36.96 0.96 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.848 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 726' ' ' PHE . . . . . 0.507 ' CD2' ' CA ' ' A' ' 718' ' ' GLY . 7.4 t80 -55.24 -35.14 64.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.855 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 727' ' ' GLY . . . . . . . . . . . . . . . 151.64 -167.91 31.0 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.533 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 728' ' ' THR . . . . . . . . . . . . . 3.2 m -143.3 144.74 32.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.805 0.336 . . . . 0.0 111.126 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 729' ' ' VAL . . . . . 0.45 HG13 ' CE2' ' A' ' 731' ' ' TYR . 12.0 p -107.64 140.55 25.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.174 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 12.4 mp0 -109.49 126.23 53.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.859 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 731' ' ' TYR . . . . . 0.645 ' OH ' ' HB2' ' A' ' 714' ' ' ALA . 1.3 p90 -159.94 164.17 33.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.947 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 732' ' ' TRP . . . . . 0.425 ' CZ3' ' HG2' ' A' ' 734' ' ' ARG . 18.1 p-90 -139.09 141.92 38.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.889 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 733' ' ' PHE . . . . . 0.546 ' CE1' ' CD2' ' A' ' 700' ' ' PHE . 30.4 p90 -124.64 157.37 35.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 734' ' ' ARG . . . . . 0.425 ' HG2' ' CZ3' ' A' ' 732' ' ' TRP . 8.1 ptm180 -154.56 121.32 5.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.866 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 735' ' ' LEU . . . . . 0.447 ' HB2' ' CD2' ' A' ' 607' ' ' PHE . 5.7 tp -130.53 107.33 9.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.94 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 736' ' ' ARG . . . . . 0.431 ' O ' ' C ' ' A' ' 737' ' ' VAL . 10.8 ttt180 -155.88 146.14 21.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.897 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 737' ' ' VAL . . . . . 0.431 ' C ' ' O ' ' A' ' 736' ' ' ARG . 7.1 p -35.44 133.47 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.153 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 738' ' ' SER . . . . . . . . . . . . . 40.6 t . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.834 -179.861 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 604' ' ' GLU . . . . . 0.826 ' O ' HG23 ' A' ' 737' ' ' VAL . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.823 0.344 . . . . 0.0 110.907 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 605' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -121.5 154.07 37.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 606' ' ' LEU . . . . . 0.4 HD23 HH22 ' A' ' 734' ' ' ARG . 37.6 tp -131.58 124.79 30.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 607' ' ' PHE . . . . . 0.691 ' HD2' HD13 ' A' ' 735' ' ' LEU . 8.4 t80 -123.97 122.74 38.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 608' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -135.01 154.24 51.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.877 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 609' ' ' ILE . . . . . . . . . . . . . 40.8 mt -136.95 129.3 44.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.143 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 610' ' ' HIS . . . . . 0.464 ' ND1' ' C ' ' A' ' 610' ' ' HIS . 0.0 OUTLIER -125.62 127.45 46.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.857 179.896 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 611' ' ' ILE . . . . . 0.41 ' N ' ' ND1' ' A' ' 610' ' ' HIS . 46.4 mm -94.5 105.52 17.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.093 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 612' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 -59.7 -67.48 0.38 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 613' ' ' LYS . . . . . . . . . . . . . 2.8 ptpt -160.09 178.7 9.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 614' ' ' VAL . . . . . 0.479 HG22 HG23 ' A' ' 729' ' ' VAL . 72.0 t -130.76 114.29 27.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.166 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 615' ' ' THR . . . . . . . . . . . . . 37.9 m -87.99 150.21 23.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.132 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 616' ' ' PHE . . . . . 0.514 ' HB3' ' CG2' ' A' ' 620' ' ' VAL . 62.0 m-85 -128.35 162.92 25.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.919 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 617' ' ' SER . . . . . 0.489 ' O ' ' N ' ' A' ' 619' ' ' GLU . 8.0 t -107.84 150.22 27.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 -179.825 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 618' ' ' SER . . . . . . . . . . . . . 15.2 m -38.69 -26.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.853 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 619' ' ' GLU . . . . . 0.489 ' N ' ' O ' ' A' ' 617' ' ' SER . 6.9 mp0 -48.53 -58.42 4.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.903 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 620' ' ' VAL . . . . . 0.514 ' CG2' ' HB3' ' A' ' 616' ' ' PHE . 31.2 m -77.85 -35.77 21.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.145 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 621' ' ' LEU . . . . . . . . . . . . . 24.4 mt -56.28 -64.42 0.87 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.921 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 622' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -49.17 -57.96 5.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.931 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -44.74 -43.58 8.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.102 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 4.0 m -68.98 -50.93 44.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.828 -179.75 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 625' ' ' GLY . . . . . . . . . . . . . . . 95.85 -138.19 13.81 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.482 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 626' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -92.36 46.21 1.24 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.821 0.343 . . . . 0.0 110.836 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 43.6 mttm -122.45 160.43 25.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.87 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -109.67 91.48 10.53 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.694 0.759 . . . . 0.0 110.874 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 629' ' ' PRO . . . . . 0.586 ' HD2' HD22 ' A' ' 651' ' ' LEU . 53.7 Cg_endo -69.77 115.79 4.26 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.688 2.258 . . . . 0.0 112.338 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 630' ' ' VAL . . . . . 0.415 ' CG1' ' CG1' ' A' ' 647' ' ' VAL . 17.6 t -89.88 128.79 41.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.08 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 631' ' ' THR . . . . . 0.562 HG22 ' HG2' ' A' ' 684' ' ' GLN . 57.9 p -140.44 150.87 44.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.137 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 632' ' ' PHE . . . . . 0.602 ' CZ ' ' NE2' ' A' ' 683' ' ' HIS . 9.5 p90 -139.04 143.83 38.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 633' ' ' CYS . . . . . . . . . . . . . 85.7 m -98.15 143.24 28.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.837 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 634' ' ' THR . . . . . . . . . . . . . 13.3 p -145.49 130.29 18.14 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.123 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 635' ' ' TYR . . . . . 0.487 ' CD2' HD12 ' A' ' 680' ' ' LEU . 43.1 p90 -166.11 175.85 8.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.915 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 636' ' ' ALA . . . . . . . . . . . . . . . -128.57 144.83 51.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.066 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 637' ' ' PHE . . . . . . . . . . . . . 65.3 t80 -107.02 136.33 47.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.88 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 638' ' ' TYR . . . . . 0.42 ' OH ' HG23 ' A' ' 665' ' ' VAL . 2.8 t80 52.18 25.13 3.11 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.932 -179.84 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 639' ' ' ASP . . . . . . . . . . . . . 7.4 t0 68.27 46.81 1.05 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.861 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 640' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -108.49 176.01 5.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -50.98 126.88 17.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.877 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 642' ' ' LEU . . . . . . . . . . . . . 10.0 tp -47.05 154.32 0.36 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 643' ' ' GLN . . . . . . . . . . . . . 17.2 mm-40 -122.53 110.11 15.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.926 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 644' ' ' THR . . . . . . . . . . . . . 55.9 m -82.69 121.28 26.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.118 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 645' ' ' THR . . . . . . . . . . . . . 20.5 p -83.92 154.43 64.34 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.53 0.681 . . . . 0.0 111.175 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 646' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 120.98 7.68 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.726 2.284 . . . . 0.0 112.331 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 647' ' ' VAL . . . . . 0.415 ' CG1' ' CG1' ' A' ' 630' ' ' VAL . 59.0 t -68.88 126.83 29.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.111 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 86.7 t -131.54 140.0 49.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.149 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 649' ' ' ARG . . . . . . . . . . . . . 13.9 mtm-85 -84.93 150.77 24.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.916 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 650' ' ' GLY . . . . . . . . . . . . . . . 114.78 156.06 11.24 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.473 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 651' ' ' LEU . . . . . 0.586 HD22 ' HD2' ' A' ' 629' ' ' PRO . 4.4 mm? -64.31 -54.97 24.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.848 0.356 . . . . 0.0 110.928 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 652' ' ' HIS . . . . . . . . . . . . . 15.3 m-70 -108.3 72.54 0.42 Allowed Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.535 0.683 . . . . 0.0 110.83 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 653' ' ' PRO . . . . . 0.405 ' HD3' ' C ' ' A' ' 651' ' ' LEU . 53.6 Cg_endo -69.73 163.19 39.19 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.679 2.252 . . . . 0.0 112.332 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -118.57 80.15 1.49 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 655' ' ' TYR . . . . . . . . . . . . . 43.1 m-85 -51.5 -53.69 34.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.893 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 5.2 m120 58.14 40.13 25.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.903 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 657' ' ' PHE . . . . . . . . . . . . . 39.9 t80 -92.64 109.0 20.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 88.3 m -119.31 119.38 33.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.146 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 56.6 m -138.94 140.26 38.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.845 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 660' ' ' GLN . . . . . 0.514 ' NE2' ' O ' ' A' ' 660' ' ' GLN . 2.9 pp0? -136.36 149.82 48.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.905 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 661' ' ' TYR . . . . . . . . . . . . . 78.6 m-85 -149.44 138.31 21.13 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.937 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 662' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.54 105.64 4.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.926 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 663' ' ' VAL . . . . . 0.532 HG23 ' O ' ' A' ' 663' ' ' VAL . 24.2 m -105.97 120.95 57.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.067 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 664' ' ' HIS . . . . . 0.406 ' O ' ' CG ' ' A' ' 664' ' ' HIS . 45.9 p-80 -89.76 98.53 11.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.867 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 665' ' ' VAL . . . . . 0.558 HG22 ' N ' ' A' ' 666' ' ' ASN . 11.4 p -138.34 164.01 27.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.157 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 666' ' ' ASN . . . . . 0.558 ' N ' HG22 ' A' ' 665' ' ' VAL . 11.5 m120 -109.46 -175.01 2.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.921 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 667' ' ' ASP . . . . . 0.453 ' O ' ' C ' ' A' ' 668' ' ' LEU . 0.9 OUTLIER -40.17 -45.28 1.99 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.877 179.873 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 668' ' ' LEU . . . . . 0.453 ' C ' ' O ' ' A' ' 667' ' ' ASP . 11.1 mt -33.94 -39.69 0.07 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.914 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 669' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -45.82 -54.88 7.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 670' ' ' LEU . . . . . 0.464 HD22 ' HA ' ' A' ' 704' ' ' LEU . 37.1 mt -50.27 -43.04 53.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 671' ' ' GLN . . . . . . . . . . . . . 8.3 mm100 -54.49 -48.39 71.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 672' ' ' TYR . . . . . 0.484 ' C ' ' CD1' ' A' ' 672' ' ' TYR . 0.7 OUTLIER -47.9 -40.36 21.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.922 -179.859 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 673' ' ' ILE . . . . . 0.435 HD13 HG21 ' A' ' 703' ' ' ILE . 16.1 mt -63.23 -38.57 82.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.11 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 674' ' ' GLN . . . . . . . . . . . . . 8.2 mm-40 -78.95 -61.55 1.98 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.924 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 675' ' ' LYS . . . . . . . . . . . . . 45.4 mtpt -53.94 -57.47 10.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 676' ' ' ASN . . . . . . . . . . . . . 18.8 m-20 -111.01 173.07 6.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.925 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 37.6 p -139.65 164.7 29.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.115 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 678' ' ' ILE . . . . . . . . . . . . . 5.3 mp -87.5 139.36 17.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.145 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 20.4 m -109.57 125.57 52.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.152 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 680' ' ' LEU . . . . . 0.712 HD23 ' O ' ' A' ' 680' ' ' LEU . 7.2 tt -134.78 102.09 5.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.902 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 681' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -98.96 128.91 45.22 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 682' ' ' VAL . . . . . . . . . . . . . 76.9 t -99.86 99.14 7.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.117 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 683' ' ' HIS . . . . . 0.602 ' NE2' ' CZ ' ' A' ' 632' ' ' PHE . 9.8 p-80 -93.11 162.49 14.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 684' ' ' GLN . . . . . 0.562 ' HG2' HG22 ' A' ' 631' ' ' THR . 41.3 mt-30 -111.75 160.05 17.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -107.58 102.82 12.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.106 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 686' ' ' TYR . . . . . 0.523 ' CE2' ' HB2' ' A' ' 684' ' ' GLN . 0.1 OUTLIER -129.18 131.19 47.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.94 -179.822 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 687' ' ' SER . . . . . 0.607 ' O ' HG22 ' A' ' 688' ' ' THR . 1.8 m 45.48 53.24 8.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.901 -179.816 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 688' ' ' THR . . . . . 0.607 HG22 ' O ' ' A' ' 687' ' ' SER . 14.8 t 46.05 26.13 0.39 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.106 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 689' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -113.69 147.83 37.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.877 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 690' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -128.67 116.98 20.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.932 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 691' ' ' GLU . . . . . 0.431 ' O ' HG23 ' A' ' 693' ' ' ILE . 41.8 tt0 -147.21 105.0 3.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.895 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 692' ' ' THR . . . . . 0.429 ' C ' ' O ' ' A' ' 691' ' ' GLU . 96.5 m -33.8 135.74 0.13 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.11 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 693' ' ' ILE . . . . . 0.486 HD12 ' N ' ' A' ' 694' ' ' ALA . 2.6 pp -128.76 -28.9 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.165 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 694' ' ' ALA . . . . . 0.486 ' N ' HD12 ' A' ' 693' ' ' ILE . . . -130.92 132.03 44.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.16 179.771 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 695' ' ' ALA . . . . . . . . . . . . . . . -135.46 144.18 46.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.108 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 696' ' ' CYS . . . . . . . . . . . . . 30.6 p -151.45 160.8 43.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 697' ' ' GLN . . . . . 0.4 ' N ' ' CD ' ' A' ' 697' ' ' GLN . 7.1 mp0 -109.05 122.16 46.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 -179.838 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 698' ' ' LEU . . . . . 0.572 HD22 ' CE2' ' A' ' 731' ' ' TYR . 29.8 mt -93.58 123.63 37.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 699' ' ' LYS . . . . . . . . . . . . . 8.6 ptpt -150.21 132.98 15.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.891 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 700' ' ' PHE . . . . . 0.641 ' CD1' ' CE1' ' A' ' 733' ' ' PHE . 5.6 m-85 -109.81 125.6 52.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.884 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 701' ' ' HIS . . . . . . . . . . . . . 35.0 m-70 -88.84 -67.83 0.81 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.856 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 702' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 706' ' ' LYS . 81.4 mm-40 -45.74 -30.9 1.77 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 703' ' ' ILE . . . . . 0.435 HG21 HD13 ' A' ' 673' ' ' ILE . 0.0 OUTLIER -47.86 -39.61 7.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.079 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 704' ' ' LEU . . . . . 0.464 ' HA ' HD22 ' A' ' 670' ' ' LEU . 21.0 mt -60.71 -43.52 97.73 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.939 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 705' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -89.38 -65.05 1.05 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.884 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 706' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 702' ' ' GLU . 19.4 mttm -82.77 175.12 10.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.936 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 707' ' ' SER . . . . . . . . . . . . . 89.5 p -169.96 105.03 0.32 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.89 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 708' ' ' GLY . . . . . . . . . . . . . . . 160.28 80.81 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.465 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 709' ' ' ARG . . . . . . . . . . . . . 49.1 mtt85 44.45 54.81 6.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.781 0.324 . . . . 0.0 110.848 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 710' ' ' ILE . . . . . . . . . . . . . 16.6 mt -72.18 82.89 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.116 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 711' ' ' PHE . . . . . . . . . . . . . 79.3 m-85 -37.24 131.49 0.83 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.913 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 712' ' ' CYS . . . . . . . . . . . . . 65.6 m -154.71 178.39 10.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.829 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 713' ' ' THR . . . . . . . . . . . . . 38.2 p -150.64 163.22 39.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.126 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 714' ' ' ALA . . . . . . . . . . . . . . . -135.26 160.75 37.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.123 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 715' ' ' SER . . . . . . . . . . . . . 28.9 t -100.23 139.24 36.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.845 -179.762 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 716' ' ' LEU . . . . . . . . . . . . . 13.7 mt -111.37 138.87 47.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.933 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 717' ' ' ILE . . . . . . . . . . . . . 4.4 mp -127.77 144.75 36.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.133 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 718' ' ' GLY . . . . . . . . . . . . . . . -90.77 160.72 27.78 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.452 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 719' ' ' THR . . . . . . . . . . . . . 24.6 p -106.3 -41.31 5.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.853 0.358 . . . . 0.0 111.123 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 720' ' ' LYS . . . . . . . . . . . . . 7.2 mmpt? -55.92 -47.18 77.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 721' ' ' GLY . . . . . 0.444 ' O ' ' C ' ' A' ' 722' ' ' ASP . . . -124.17 30.98 4.62 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.493 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 722' ' ' ASP . . . . . 0.445 ' CG ' ' O ' ' A' ' 722' ' ' ASP . 18.0 t70 34.39 41.8 0.06 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.814 0.34 . . . . 0.0 110.837 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 723' ' ' ILE . . . . . . . . . . . . . 76.4 mt -67.87 111.67 8.34 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.593 0.711 . . . . 0.0 111.119 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 724' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -50.86 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.643 2.229 . . . . 0.0 112.333 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 725' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -86.14 50.42 1.98 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.891 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 726' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -59.0 -42.5 90.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 727' ' ' GLY . . . . . . . . . . . . . . . 155.79 175.94 27.37 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.485 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 728' ' ' THR . . . . . . . . . . . . . 6.3 m -117.85 145.9 44.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.763 0.316 . . . . 0.0 111.169 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 729' ' ' VAL . . . . . 0.479 HG23 HG22 ' A' ' 614' ' ' VAL . 7.1 p -108.77 140.45 27.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.119 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -108.67 117.75 35.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.918 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 731' ' ' TYR . . . . . 0.572 ' CE2' HD22 ' A' ' 698' ' ' LEU . 0.5 OUTLIER -160.8 159.16 29.62 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.931 -179.817 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 732' ' ' TRP . . . . . . . . . . . . . 69.6 p-90 -131.95 175.05 9.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.917 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 733' ' ' PHE . . . . . 0.641 ' CE1' ' CD1' ' A' ' 700' ' ' PHE . 15.2 p90 -152.37 151.0 30.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.828 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 734' ' ' ARG . . . . . 0.4 HH22 HD23 ' A' ' 606' ' ' LEU . 16.0 ttp180 -146.58 139.03 25.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.84 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 735' ' ' LEU . . . . . 0.691 HD13 ' HD2' ' A' ' 607' ' ' PHE . 43.6 tp -139.97 105.12 5.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.942 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 736' ' ' ARG . . . . . . . . . . . . . 9.6 mmm180 -149.05 166.7 27.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.856 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 737' ' ' VAL . . . . . 0.826 HG23 ' O ' ' A' ' 604' ' ' GLU . 7.1 p -71.26 113.58 7.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.128 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 738' ' ' SER . . . . . . . . . . . . . 15.9 t . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 -179.849 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 604' ' ' GLU . . . . . 0.564 ' HG2' HD11 ' A' ' 662' ' ' LEU . 2.3 tp10 . . . . . 0 C--O 1.23 0.049 0 CA-C-O 120.86 0.362 . . . . 0.0 110.893 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 605' ' ' ASN . . . . . 0.497 ' ND2' ' O ' ' A' ' 663' ' ' VAL . 1.3 p-10 -113.68 146.75 39.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 606' ' ' LEU . . . . . 0.4 ' HB2' ' CB ' ' A' ' 738' ' ' SER . 12.0 tp -136.56 142.89 43.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 607' ' ' PHE . . . . . . . . . . . . . 11.2 t80 -138.51 144.52 40.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 608' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -156.68 142.47 17.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.866 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 609' ' ' ILE . . . . . . . . . . . . . 5.3 mp -120.94 123.11 69.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.122 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 610' ' ' HIS . . . . . 0.527 ' HB3' ' CE2' ' A' ' 732' ' ' TRP . 33.3 t-80 -99.65 140.48 33.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.829 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 50.9 mm -118.35 97.62 5.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.131 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 612' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -60.26 -67.72 0.36 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.92 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 613' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -159.85 176.89 11.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.898 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 614' ' ' VAL . . . . . 0.406 HG22 HG23 ' A' ' 729' ' ' VAL . 66.4 t -129.04 123.71 59.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.105 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 615' ' ' THR . . . . . . . . . . . . . 44.3 m -94.5 146.59 23.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.088 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 616' ' ' PHE . . . . . 0.501 ' HB3' ' CG2' ' A' ' 620' ' ' VAL . 33.2 m-85 -123.73 161.96 24.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 617' ' ' SER . . . . . 0.453 ' O ' HG22 ' A' ' 620' ' ' VAL . 2.9 t -100.42 153.44 19.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.875 -179.799 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 618' ' ' SER . . . . . . . . . . . . . 48.0 t -49.52 -21.27 0.91 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.897 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 619' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -58.2 -51.43 69.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.894 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 620' ' ' VAL . . . . . 0.501 ' CG2' ' HB3' ' A' ' 616' ' ' PHE . 30.1 m -77.72 -21.25 13.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.139 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 621' ' ' LEU . . . . . . . . . . . . . 21.0 mt -66.97 -61.88 1.71 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.947 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 622' ' ' GLN . . . . . . . . . . . . . 72.5 mt-30 -57.27 -52.76 64.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.916 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -44.64 -47.48 10.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.074 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 13.2 t -62.5 -46.98 85.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.852 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 625' ' ' GLY . . . . . . . . . . . . . . . 103.51 -155.84 17.85 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.484 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 626' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -83.64 45.73 1.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.918 0.39 . . . . 0.0 110.863 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 9.9 ptpt -132.61 169.04 17.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.93 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 628' ' ' GLU . . . . . 0.409 ' HA ' ' HD2' ' A' ' 629' ' ' PRO . 18.3 mp0 -115.61 92.76 34.62 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.648 0.737 . . . . 0.0 110.917 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 629' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' ' 628' ' ' GLU . 53.6 Cg_endo -69.8 110.95 2.69 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.689 2.259 . . . . 0.0 112.342 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 630' ' ' VAL . . . . . 0.416 ' CG1' ' CG1' ' A' ' 647' ' ' VAL . 14.6 t -79.91 134.74 26.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.117 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 631' ' ' THR . . . . . . . . . . . . . 71.8 p -153.34 160.88 42.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.087 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 632' ' ' PHE . . . . . 0.458 ' CE2' ' NE2' ' A' ' 683' ' ' HIS . 41.3 p90 -146.46 161.04 41.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.912 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 633' ' ' CYS . . . . . 0.433 ' SG ' HG22 ' A' ' 682' ' ' VAL . 99.0 m -94.65 157.22 16.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 634' ' ' THR . . . . . . . . . . . . . 12.8 p -154.2 138.26 16.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.151 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 635' ' ' TYR . . . . . 0.713 ' CD1' HD12 ' A' ' 680' ' ' LEU . 44.2 p90 -174.37 159.72 3.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.881 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 636' ' ' ALA . . . . . . . . . . . . . . . -112.42 161.48 16.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.079 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 637' ' ' PHE . . . . . 0.443 ' O ' ' C ' ' A' ' 638' ' ' TYR . 3.4 t80 -106.93 154.06 21.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 638' ' ' TYR . . . . . 0.547 ' O ' ' CD2' ' A' ' 640' ' ' PHE . 2.2 t80 -34.43 99.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.935 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 639' ' ' ASP . . . . . . . . . . . . . 3.3 t70 63.33 54.69 1.96 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.862 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 640' ' ' PHE . . . . . 0.547 ' CD2' ' O ' ' A' ' 638' ' ' TYR . 87.4 m-85 -147.68 143.07 27.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -48.59 168.38 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.886 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 642' ' ' LEU . . . . . 0.473 HD13 ' C ' ' A' ' 642' ' ' LEU . 2.8 tm? -79.4 113.55 17.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 643' ' ' GLN . . . . . . . . . . . . . 13.6 mm-40 -79.35 138.34 37.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.927 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 644' ' ' THR . . . . . . . . . . . . . 60.3 m -118.72 128.77 54.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.128 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 645' ' ' THR . . . . . 0.532 HG22 ' CD1' ' A' ' 657' ' ' PHE . 10.8 p -87.92 155.91 52.55 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.571 0.701 . . . . 0.0 111.131 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 646' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 123.57 10.22 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.683 2.255 . . . . 0.0 112.308 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 647' ' ' VAL . . . . . 0.416 ' CG1' ' CG1' ' A' ' 630' ' ' VAL . 25.0 t -68.73 134.69 29.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.14 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 42.0 t -136.82 142.44 37.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.092 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 649' ' ' ARG . . . . . . . . . . . . . 31.5 mtt85 -84.85 141.46 30.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.875 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 650' ' ' GLY . . . . . . . . . . . . . . . 123.21 158.36 10.16 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.508 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 651' ' ' LEU . . . . . 0.449 HD13 ' HA ' ' A' ' 651' ' ' LEU . 3.7 mm? -70.68 -47.81 57.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.859 0.361 . . . . 0.0 110.903 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 652' ' ' HIS . . . . . . . . . . . . . 3.7 m80 -115.97 67.93 3.2 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.585 0.707 . . . . 0.0 110.873 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 653' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 161.95 43.93 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.727 2.285 . . . . 0.0 112.352 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -120.02 105.37 10.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.916 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 655' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 -85.86 -58.99 2.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.927 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 15.1 m-80 63.92 29.57 14.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.862 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 657' ' ' PHE . . . . . 0.532 ' CD1' HG22 ' A' ' 645' ' ' THR . 0.6 OUTLIER -101.39 139.68 36.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 12.7 t -135.21 147.22 49.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.119 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 29.9 t -105.15 136.97 43.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -126.41 132.67 51.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.866 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 661' ' ' TYR . . . . . . . . . . . . . 27.5 m-85 -148.98 133.06 17.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.899 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 662' ' ' LEU . . . . . 0.564 HD11 ' HG2' ' A' ' 604' ' ' GLU . 0.3 OUTLIER -72.53 102.57 3.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.901 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 663' ' ' VAL . . . . . 0.497 ' O ' ' ND2' ' A' ' 605' ' ' ASN . 3.3 m -96.09 140.35 17.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.101 179.839 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 664' ' ' HIS . . . . . 0.557 ' O ' HG13 ' A' ' 665' ' ' VAL . 5.7 p80 -125.73 101.3 6.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.884 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 665' ' ' VAL . . . . . 0.711 HG23 ' HD2' ' A' ' 669' ' ' PHE . 0.0 OUTLIER -162.13 173.18 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.095 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 666' ' ' ASN . . . . . . . . . . . . . 68.4 m-80 -131.44 -70.42 0.59 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 667' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -90.39 -53.13 4.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.817 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 10.9 mp -43.3 -25.42 0.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.901 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 669' ' ' PHE . . . . . 0.711 ' HD2' HG23 ' A' ' 665' ' ' VAL . 0.7 OUTLIER -61.09 -60.5 3.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 670' ' ' LEU . . . . . 0.688 HD22 HD13 ' A' ' 704' ' ' LEU . 85.6 mt -64.4 -51.35 63.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.932 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 671' ' ' GLN . . . . . . . . . . . . . 8.7 mm-40 -49.23 -27.55 3.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 672' ' ' TYR . . . . . 0.494 ' C ' ' CD1' ' A' ' 672' ' ' TYR . 1.7 t80 -73.35 -47.25 43.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.922 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 673' ' ' ILE . . . . . . . . . . . . . 87.5 mt -70.15 -21.74 23.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.134 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 674' ' ' GLN . . . . . . . . . . . . . 8.5 mm-40 -87.61 -55.97 3.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.938 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 675' ' ' LYS . . . . . . . . . . . . . 35.9 mtpt -59.88 -70.1 0.18 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 676' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -103.01 177.76 4.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 677' ' ' THR . . . . . 0.428 ' CG2' ' HB3' ' A' ' 699' ' ' LYS . 20.3 p -135.83 -178.97 5.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.139 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 678' ' ' ILE . . . . . . . . . . . . . 18.9 mt -93.13 145.65 7.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.102 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 679' ' ' THR . . . . . 0.824 HG22 ' OE1' ' A' ' 681' ' ' GLU . 25.4 m -117.73 104.55 11.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.147 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 680' ' ' LEU . . . . . 0.81 HD13 HD11 ' A' ' 698' ' ' LEU . 7.2 tt -111.96 102.19 10.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.93 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 681' ' ' GLU . . . . . 0.824 ' OE1' HG22 ' A' ' 679' ' ' THR . 2.0 mp0 -101.69 134.78 44.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 682' ' ' VAL . . . . . 0.433 HG22 ' SG ' ' A' ' 633' ' ' CYS . 86.7 t -103.93 100.06 9.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.133 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 683' ' ' HIS . . . . . 0.484 ' CD2' ' H ' ' A' ' 683' ' ' HIS . 0.3 OUTLIER -95.83 154.87 17.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.842 179.935 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 684' ' ' GLN . . . . . . . . . . . . . 28.5 tt0 -87.25 159.16 18.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -122.54 102.78 8.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.068 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 686' ' ' TYR . . . . . 0.434 ' O ' ' C ' ' A' ' 687' ' ' SER . 74.7 m-85 -86.32 150.87 24.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.889 -179.845 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 687' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 686' ' ' TYR . 0.3 OUTLIER -34.05 -63.46 0.27 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.866 -179.844 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 688' ' ' THR . . . . . 0.509 HG23 ' OE1' ' A' ' 689' ' ' GLU . 10.2 t -119.99 22.32 11.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.135 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 689' ' ' GLU . . . . . 0.509 ' OE1' HG23 ' A' ' 688' ' ' THR . 7.1 mp0 -141.45 163.4 33.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 690' ' ' TYR . . . . . 0.471 ' CD1' ' C ' ' A' ' 689' ' ' GLU . 42.4 m-85 -154.26 120.18 5.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.906 -179.841 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 691' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -145.72 153.79 41.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.841 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 692' ' ' THR . . . . . 0.45 ' HA ' ' CB ' ' A' ' 683' ' ' HIS . 5.3 m -81.29 151.16 28.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.118 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 693' ' ' ILE . . . . . . . . . . . . . 30.2 pt -130.21 -31.09 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.155 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -135.66 160.66 37.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.089 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 695' ' ' ALA . . . . . . . . . . . . . . . -157.28 123.56 4.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.135 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 696' ' ' CYS . . . . . 0.427 ' HB3' HD23 ' A' ' 716' ' ' LEU . 3.7 p -141.65 158.08 44.27 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.936 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 697' ' ' GLN . . . . . . . . . . . . . 21.0 mp0 -112.66 130.0 56.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 698' ' ' LEU . . . . . 0.81 HD11 HD13 ' A' ' 680' ' ' LEU . 14.0 mt -94.67 135.48 36.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.943 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 699' ' ' LYS . . . . . 0.428 ' HB3' ' CG2' ' A' ' 677' ' ' THR . 2.5 pttt -152.73 125.25 8.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 700' ' ' PHE . . . . . 0.536 ' CD1' ' CD1' ' A' ' 733' ' ' PHE . 3.5 m-85 -94.06 125.3 38.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.915 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 701' ' ' HIS . . . . . . . . . . . . . 48.3 m-70 -89.05 -66.1 0.95 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.891 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 702' ' ' GLU . . . . . 0.594 ' HB2' HG21 ' A' ' 710' ' ' ILE . 23.1 mt-10 -47.91 -31.5 5.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 703' ' ' ILE . . . . . 0.64 ' CG2' HD22 ' A' ' 704' ' ' LEU . 0.0 OUTLIER -47.94 -29.62 2.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.174 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 704' ' ' LEU . . . . . 0.688 HD13 HD22 ' A' ' 670' ' ' LEU . 4.5 mm? -72.71 -44.5 61.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.904 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 705' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -83.73 -64.91 1.08 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.843 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 706' ' ' LYS . . . . . . . . . . . . . 12.9 mttm -82.62 172.68 12.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 707' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -147.42 126.6 12.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.858 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 708' ' ' GLY . . . . . 0.429 ' C ' ' HG2' ' A' ' 734' ' ' ARG . . . 124.43 -147.71 16.6 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.492 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 709' ' ' ARG . . . . . 0.487 ' N ' ' HG2' ' A' ' 734' ' ' ARG . 24.6 ttm180 -66.46 103.88 1.13 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.836 0.35 . . . . 0.0 110.811 -179.831 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 710' ' ' ILE . . . . . 0.594 HG21 ' HB2' ' A' ' 702' ' ' GLU . 53.8 mt -124.79 110.53 25.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.131 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 711' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -66.73 136.06 54.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 712' ' ' CYS . . . . . . . . . . . . . 2.2 m -162.17 165.9 26.32 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 713' ' ' THR . . . . . . . . . . . . . 53.0 p -148.15 164.43 33.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.153 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 714' ' ' ALA . . . . . . . . . . . . . . . -133.57 145.36 50.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.032 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 715' ' ' SER . . . . . . . . . . . . . 78.5 p -89.02 145.84 25.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.894 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 716' ' ' LEU . . . . . 0.427 HD23 ' HB3' ' A' ' 696' ' ' CYS . 16.5 mt -111.6 143.51 42.36 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.874 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 717' ' ' ILE . . . . . . . . . . . . . 5.3 mp -132.78 136.59 55.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.128 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 718' ' ' GLY . . . . . . . . . . . . . . . -67.62 153.57 52.92 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.48 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 719' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -87.06 -34.17 19.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.891 0.377 . . . . 0.0 111.152 -179.851 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 720' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -117.67 -49.81 2.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.938 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 721' ' ' GLY . . . . . . . . . . . . . . . -58.94 -12.82 16.51 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.459 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 722' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 49.22 50.82 17.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.809 0.337 . . . . 0.0 110.878 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 723' ' ' ILE . . . . . 0.426 ' HA ' ' HD2' ' A' ' 724' ' ' PRO . 17.7 mt -106.67 106.65 58.44 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.59 0.709 . . . . 0.0 111.123 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 724' ' ' PRO . . . . . 0.426 ' HD2' ' HA ' ' A' ' 723' ' ' ILE . 54.0 Cg_endo -69.75 -30.52 22.2 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.654 2.236 . . . . 0.0 112.404 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 725' ' ' ASN . . . . . . . . . . . . . 88.8 m-20 -97.61 32.89 2.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 726' ' ' PHE . . . . . . . . . . . . . 14.5 t80 -51.67 -37.47 50.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.921 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 727' ' ' GLY . . . . . . . . . . . . . . . 157.68 171.38 23.58 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.49 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 728' ' ' THR . . . . . . . . . . . . . 3.4 m -117.61 147.71 42.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.818 0.342 . . . . 0.0 111.144 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 729' ' ' VAL . . . . . 0.406 HG23 HG22 ' A' ' 614' ' ' VAL . 10.8 p -110.78 132.93 57.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.128 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -105.11 134.33 48.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 731' ' ' TYR . . . . . . . . . . . . . 13.1 p90 -164.54 164.86 21.64 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.949 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 732' ' ' TRP . . . . . 0.527 ' CE2' ' HB3' ' A' ' 610' ' ' HIS . 57.0 p-90 -144.22 128.91 18.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.926 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 733' ' ' PHE . . . . . 0.536 ' CD1' ' CD1' ' A' ' 700' ' ' PHE . 11.8 p90 -108.03 162.23 14.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.883 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 734' ' ' ARG . . . . . 0.487 ' HG2' ' N ' ' A' ' 709' ' ' ARG . 13.9 mtp-105 -157.53 130.58 7.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.919 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 735' ' ' LEU . . . . . . . . . . . . . 16.4 tp -115.08 105.15 12.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.903 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 736' ' ' ARG . . . . . . . . . . . . . 21.0 ttt180 -137.29 156.64 48.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 737' ' ' VAL . . . . . 0.513 HG22 ' N ' ' A' ' 738' ' ' SER . 15.0 p -55.6 160.12 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.126 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 738' ' ' SER . . . . . 0.513 ' N ' HG22 ' A' ' 737' ' ' VAL . 1.5 t . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 604' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.23 0.035 0 CA-C-O 120.882 0.372 . . . . 0.0 110.853 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 605' ' ' ASN . . . . . . . . . . . . . 44.8 m-80 -167.79 144.05 4.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.895 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 606' ' ' LEU . . . . . 0.486 HD12 ' O ' ' A' ' 661' ' ' TYR . 4.5 tp -124.92 142.49 51.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 607' ' ' PHE . . . . . 0.564 ' CE1' HD11 ' A' ' 609' ' ' ILE . 7.1 t80 -124.86 111.51 15.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 608' ' ' GLU . . . . . 0.415 ' OE1' ' N ' ' A' ' 608' ' ' GLU . 1.9 mp0 -106.14 145.44 31.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.874 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 609' ' ' ILE . . . . . 0.564 HD11 ' CE1' ' A' ' 607' ' ' PHE . 58.8 mt -145.07 105.61 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.129 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 610' ' ' HIS . . . . . 0.403 ' CD2' ' C ' ' A' ' 610' ' ' HIS . 1.3 t60 -120.76 137.44 54.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.855 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 20.2 mm -103.25 119.01 51.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.14 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 612' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -71.43 -68.07 0.47 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.887 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 613' ' ' LYS . . . . . . . . . . . . . 4.9 pttm -164.28 172.47 13.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 614' ' ' VAL . . . . . . . . . . . . . 60.6 t -120.35 114.79 45.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.161 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 615' ' ' THR . . . . . . . . . . . . . 79.4 m -87.09 137.51 32.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.11 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 616' ' ' PHE . . . . . 0.494 ' CD1' HG11 ' A' ' 620' ' ' VAL . 35.7 m-85 -106.89 163.66 12.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.861 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 617' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 618' ' ' SER . 1.0 OUTLIER -108.0 158.44 17.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.836 -179.795 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 618' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 617' ' ' SER . 71.9 p -36.11 -58.99 0.64 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.85 -179.823 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 619' ' ' GLU . . . . . 0.471 ' O ' ' HB2' ' A' ' 623' ' ' ALA . 4.5 tp10 -42.52 -47.57 5.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.886 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 620' ' ' VAL . . . . . 0.494 HG11 ' CD1' ' A' ' 616' ' ' PHE . 4.9 t -72.0 -36.93 59.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.157 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 621' ' ' LEU . . . . . 0.403 HD12 ' HA ' ' A' ' 618' ' ' SER . 41.3 mt -67.12 -65.56 0.67 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 622' ' ' GLN . . . . . . . . . . . . . 59.5 mt-30 -52.07 -41.97 62.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 623' ' ' ALA . . . . . 0.471 ' HB2' ' O ' ' A' ' 619' ' ' GLU . . . -43.74 -45.05 6.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.082 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 38.1 m -87.73 -48.38 7.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.887 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 625' ' ' GLY . . . . . . . . . . . . . . . 98.74 -130.22 10.15 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.508 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 626' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -85.15 36.73 0.64 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.858 0.361 . . . . 0.0 110.86 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 15.2 mmmt -123.79 162.38 23.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.943 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -112.45 116.03 48.88 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.674 0.749 . . . . 0.0 110.879 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 629' ' ' PRO . . . . . 0.423 ' HD2' HD22 ' A' ' 651' ' ' LEU . 53.4 Cg_endo -69.78 126.59 13.47 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.67 2.247 . . . . 0.0 112.32 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 630' ' ' VAL . . . . . 0.504 HG22 ' HA ' ' A' ' 649' ' ' ARG . 6.5 t -106.7 112.11 38.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.12 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 631' ' ' THR . . . . . . . . . . . . . 30.8 p -143.83 160.69 40.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.16 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 632' ' ' PHE . . . . . 0.634 ' CZ ' ' NE2' ' A' ' 683' ' ' HIS . 4.3 p90 -134.39 147.09 50.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.93 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 633' ' ' CYS . . . . . 0.707 ' O ' HG23 ' A' ' 645' ' ' THR . 0.6 OUTLIER -104.83 166.14 10.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.897 -179.899 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 634' ' ' THR . . . . . 0.538 HG22 ' HA ' ' A' ' 644' ' ' THR . 65.7 p -153.68 144.66 22.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.119 -179.846 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 635' ' ' TYR . . . . . 0.767 ' CD2' HD12 ' A' ' 680' ' ' LEU . 50.3 p90 -175.06 139.27 0.47 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.941 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 636' ' ' ALA . . . . . 0.666 ' HB2' HD12 ' A' ' 642' ' ' LEU . . . -107.36 148.17 29.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.147 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 637' ' ' PHE . . . . . 0.56 ' HE2' HG11 ' A' ' 663' ' ' VAL . 36.6 t80 -111.06 143.61 41.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.95 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 638' ' ' TYR . . . . . 0.526 ' HB3' ' CE2' ' A' ' 640' ' ' PHE . 4.9 t80 44.86 39.52 3.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.934 -179.835 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 639' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 54.43 48.63 20.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.909 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 640' ' ' PHE . . . . . 0.526 ' CE2' ' HB3' ' A' ' 638' ' ' TYR . 13.9 m-85 -103.58 176.09 5.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -57.77 117.74 4.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.887 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 642' ' ' LEU . . . . . 0.666 HD12 ' HB2' ' A' ' 636' ' ' ALA . 2.5 tp -61.21 137.12 58.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.926 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 643' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -117.66 123.03 45.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.915 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 644' ' ' THR . . . . . 0.538 ' HA ' HG22 ' A' ' 634' ' ' THR . 59.7 m -77.32 111.94 13.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.175 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 645' ' ' THR . . . . . 0.707 HG23 ' O ' ' A' ' 633' ' ' CYS . 52.5 p -51.75 150.85 6.73 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.602 0.715 . . . . 0.0 111.137 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 646' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 124.0 10.65 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.723 2.282 . . . . 0.0 112.303 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 647' ' ' VAL . . . . . . . . . . . . . 39.7 t -68.92 134.59 29.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.138 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 99.0 t -143.26 134.52 23.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.171 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 649' ' ' ARG . . . . . 0.504 ' HA ' HG22 ' A' ' 630' ' ' VAL . 7.7 ptt-85 -89.79 120.65 31.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.926 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 650' ' ' GLY . . . . . . . . . . . . . . . 159.08 169.41 22.39 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.462 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 651' ' ' LEU . . . . . 0.423 HD22 ' HD2' ' A' ' 629' ' ' PRO . 4.3 mm? -80.61 -61.09 2.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.832 0.348 . . . . 0.0 110.914 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 652' ' ' HIS . . . . . . . . . . . . . 4.6 m80 -114.1 66.65 1.51 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.64 0.733 . . . . 0.0 110.837 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 653' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 169.95 17.72 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.682 2.254 . . . . 0.0 112.34 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 654' ' ' GLU . . . . . 0.409 ' O ' ' C ' ' A' ' 655' ' ' TYR . 5.2 mm-40 -125.35 77.29 1.63 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 655' ' ' TYR . . . . . 0.409 ' C ' ' O ' ' A' ' 654' ' ' GLU . 69.4 m-85 -36.83 -44.65 0.5 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.928 -179.847 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 4.8 m120 55.05 44.99 27.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.919 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 657' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -104.32 104.93 14.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.899 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 5.3 m -108.95 135.33 50.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.164 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 46.5 p -124.28 144.05 50.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.828 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 56.2 mt-30 -143.17 124.54 14.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.908 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 661' ' ' TYR . . . . . 0.486 ' O ' HD12 ' A' ' 606' ' ' LEU . 91.8 m-85 -147.06 123.73 11.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.896 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 662' ' ' LEU . . . . . 0.438 ' HA ' HD22 ' A' ' 662' ' ' LEU . 0.7 OUTLIER -73.22 101.59 3.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.942 179.946 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 663' ' ' VAL . . . . . 0.56 HG11 ' HE2' ' A' ' 637' ' ' PHE . 29.6 m -104.13 116.9 48.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.124 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 664' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -83.32 99.74 10.21 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.831 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 665' ' ' VAL . . . . . 0.562 HG22 ' N ' ' A' ' 666' ' ' ASN . 7.3 p -145.69 166.75 9.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.111 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 666' ' ' ASN . . . . . 0.562 ' N ' HG22 ' A' ' 665' ' ' VAL . 12.8 m-80 -113.49 -174.97 2.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.913 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 667' ' ' ASP . . . . . 0.562 ' OD2' HD12 ' A' ' 670' ' ' LEU . 4.0 t70 -41.47 -44.12 2.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 668' ' ' LEU . . . . . 0.416 ' C ' ' O ' ' A' ' 667' ' ' ASP . 33.4 mt -35.51 -38.28 0.11 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 669' ' ' PHE . . . . . 0.546 ' HB2' HG21 ' A' ' 665' ' ' VAL . 7.0 t80 -50.52 -51.59 46.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.846 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 670' ' ' LEU . . . . . 0.562 HD12 ' OD2' ' A' ' 667' ' ' ASP . 61.7 mt -42.43 -40.94 2.73 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 671' ' ' GLN . . . . . . . . . . . . . 10.9 mm100 -51.83 -52.35 49.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.913 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 672' ' ' TYR . . . . . 0.466 ' C ' ' CD1' ' A' ' 672' ' ' TYR . 1.4 t80 -43.45 -45.25 6.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 -179.855 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 673' ' ' ILE . . . . . 0.501 ' CD1' HD12 ' A' ' 703' ' ' ILE . 8.8 mt -62.75 -37.46 79.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.172 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 674' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -73.28 -61.57 1.78 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.893 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 675' ' ' LYS . . . . . . . . . . . . . 6.1 mtpm? -60.52 -68.79 0.27 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.923 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 676' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -90.35 161.72 15.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.856 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 4.7 p -137.85 162.54 33.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.139 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 678' ' ' ILE . . . . . 0.445 ' O ' ' N ' ' A' ' 698' ' ' LEU . 4.6 mp -91.06 142.62 12.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.122 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 19.9 m -114.13 127.93 56.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.156 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 680' ' ' LEU . . . . . 0.767 HD12 ' CD2' ' A' ' 635' ' ' TYR . 6.8 tt -132.14 100.97 5.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.958 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 681' ' ' GLU . . . . . 0.401 ' HG2' ' HB1' ' A' ' 695' ' ' ALA . 11.9 mt-10 -97.98 150.98 20.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.924 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 682' ' ' VAL . . . . . . . . . . . . . 69.6 t -123.37 116.81 49.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.113 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 683' ' ' HIS . . . . . 0.634 ' NE2' ' CZ ' ' A' ' 632' ' ' PHE . 0.1 OUTLIER -114.49 156.41 24.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.855 179.924 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 684' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -89.42 142.58 27.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -98.17 109.15 21.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.093 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 686' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -99.14 168.02 10.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.886 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 687' ' ' SER . . . . . . . . . . . . . 39.1 t -50.55 -61.02 2.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.846 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 688' ' ' THR . . . . . . . . . . . . . 73.2 p -132.15 32.87 3.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.151 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 689' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -141.44 156.78 45.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 690' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -148.9 119.37 7.39 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.963 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 691' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -149.48 151.92 34.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.923 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 692' ' ' THR . . . . . . . . . . . . . 1.8 m -82.57 145.21 29.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.142 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 693' ' ' ILE . . . . . 0.522 HG22 ' HE2' ' A' ' 720' ' ' LYS . 2.8 pp -126.44 -7.78 5.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.163 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 694' ' ' ALA . . . . . 0.49 ' HA ' HG23 ' A' ' 719' ' ' THR . . . -165.91 149.94 8.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.106 179.824 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 695' ' ' ALA . . . . . 0.401 ' HB1' ' HG2' ' A' ' 681' ' ' GLU . . . -151.87 134.79 15.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.155 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 696' ' ' CYS . . . . . 0.442 ' HB3' HD23 ' A' ' 716' ' ' LEU . 16.7 p -146.44 165.47 29.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.867 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 697' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -117.69 112.09 20.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.926 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 698' ' ' LEU . . . . . 0.445 ' N ' ' O ' ' A' ' 678' ' ' ILE . 21.3 mt -70.05 125.52 26.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.922 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 699' ' ' LYS . . . . . . . . . . . . . 7.6 ptpt -150.14 129.53 12.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.919 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 700' ' ' PHE . . . . . 0.549 ' CD1' ' CE1' ' A' ' 733' ' ' PHE . 2.1 m-85 -108.38 125.26 51.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.861 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 701' ' ' HIS . . . . . . . . . . . . . 37.9 m-70 -89.26 -60.79 1.85 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.836 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 702' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -51.32 -29.14 14.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.904 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 703' ' ' ILE . . . . . 0.715 ' CG2' HD22 ' A' ' 704' ' ' LEU . 0.0 OUTLIER -54.51 -27.7 17.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.121 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 704' ' ' LEU . . . . . 0.715 HD22 ' CG2' ' A' ' 703' ' ' ILE . 4.2 mm? -74.46 -50.52 18.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.913 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 705' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -73.18 -56.53 4.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.936 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 706' ' ' LYS . . . . . . . . . . . . . 14.7 mttp -89.05 147.61 24.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.884 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 707' ' ' SER . . . . . . . . . . . . . 15.0 m -122.13 108.7 13.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.844 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 708' ' ' GLY . . . . . . . . . . . . . . . 137.55 -149.73 20.47 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.512 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 709' ' ' ARG . . . . . 0.454 ' O ' ' CD ' ' A' ' 709' ' ' ARG . 0.9 OUTLIER -60.52 117.13 4.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.805 0.336 . . . . 0.0 110.865 -179.889 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 710' ' ' ILE . . . . . 0.443 ' CD1' ' HA ' ' A' ' 703' ' ' ILE . 41.2 mt -138.69 110.71 5.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.17 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 711' ' ' PHE . . . . . . . . . . . . . 38.3 m-85 -79.23 127.8 32.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.88 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 712' ' ' CYS . . . . . . . . . . . . . 1.8 m -154.91 173.24 16.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.836 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 713' ' ' THR . . . . . . . . . . . . . 37.8 p -146.31 166.72 25.45 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.115 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 714' ' ' ALA . . . . . . . . . . . . . . . -136.21 137.53 40.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.118 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 715' ' ' SER . . . . . . . . . . . . . 63.6 m -78.56 149.49 33.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.812 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 716' ' ' LEU . . . . . 0.442 HD23 ' HB3' ' A' ' 696' ' ' CYS . 10.2 mt -116.69 139.48 50.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.912 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 717' ' ' ILE . . . . . . . . . . . . . 4.5 mp -123.71 122.4 64.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.193 179.793 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 718' ' ' GLY . . . . . . . . . . . . . . . -49.84 170.0 0.18 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.519 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 719' ' ' THR . . . . . 0.49 HG23 ' HA ' ' A' ' 694' ' ' ALA . 34.3 p -111.31 -24.22 10.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.888 0.375 . . . . 0.0 111.182 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 720' ' ' LYS . . . . . 0.522 ' HE2' HG22 ' A' ' 693' ' ' ILE . 0.0 OUTLIER -95.09 -71.81 0.65 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 179.891 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 721' ' ' GLY . . . . . 0.419 ' O ' ' C ' ' A' ' 722' ' ' ASP . . . -82.93 20.67 9.1 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.776 -0.725 . . . . 0.0 112.489 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 722' ' ' ASP . . . . . 0.419 ' C ' ' O ' ' A' ' 721' ' ' GLY . 7.1 m-20 36.18 45.0 0.3 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.798 0.332 . . . . 0.0 110.884 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 723' ' ' ILE . . . . . . . . . . . . . 56.6 mt -69.65 112.82 13.4 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.609 0.718 . . . . 0.0 111.123 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 724' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -46.26 1.3 Allowed 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.687 2.258 . . . . 0.0 112.312 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 725' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 -92.1 48.91 1.46 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.904 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 726' ' ' PHE . . . . . . . . . . . . . 27.6 t80 -67.01 -37.47 84.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.906 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 727' ' ' GLY . . . . . . . . . . . . . . . 159.0 172.92 26.72 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.476 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 728' ' ' THR . . . . . . . . . . . . . 2.7 m -120.01 144.16 47.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.892 0.377 . . . . 0.0 111.136 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 729' ' ' VAL . . . . . . . . . . . . . 13.0 p -102.19 134.58 42.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.096 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -105.52 107.02 17.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.882 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 731' ' ' TYR . . . . . . . . . . . . . 5.0 p90 -127.72 176.1 7.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 732' ' ' TRP . . . . . 0.555 ' CZ2' ' HB2' ' A' ' 734' ' ' ARG . 7.2 t90 -153.36 137.42 16.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.935 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 733' ' ' PHE . . . . . 0.549 ' CE1' ' CD1' ' A' ' 700' ' ' PHE . 19.3 p90 -133.98 152.99 52.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.879 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 734' ' ' ARG . . . . . 0.555 ' HB2' ' CZ2' ' A' ' 732' ' ' TRP . 18.1 ttp180 -145.88 131.16 18.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.854 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 735' ' ' LEU . . . . . . . . . . . . . 12.7 tp -128.52 107.67 9.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 736' ' ' ARG . . . . . 0.405 ' O ' ' C ' ' A' ' 737' ' ' VAL . 16.1 tpp180 -142.06 151.11 42.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.826 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 737' ' ' VAL . . . . . 0.405 ' C ' ' O ' ' A' ' 736' ' ' ARG . 1.5 p -37.68 -40.46 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.129 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 738' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.847 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 604' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.847 0.356 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 605' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -113.95 128.17 56.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 606' ' ' LEU . . . . . . . . . . . . . 45.9 tp -93.24 130.37 38.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 607' ' ' PHE . . . . . 0.79 ' CD1' ' CZ ' ' A' ' 637' ' ' PHE . 19.6 t80 -137.0 139.73 41.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 608' ' ' GLU . . . . . 0.584 ' OE2' ' CH2' ' A' ' 732' ' ' TRP . 3.0 pp20? -154.52 165.58 36.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.894 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 609' ' ' ILE . . . . . 0.664 HD11 ' HE1' ' A' ' 607' ' ' PHE . 5.3 mp -139.15 114.47 8.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.142 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 610' ' ' HIS . . . . . 0.436 ' HB3' ' NE1' ' A' ' 732' ' ' TRP . 8.6 t60 -99.63 116.31 31.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.833 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 49.2 mm -87.54 117.78 32.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.161 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 612' ' ' ASN . . . . . . . . . . . . . 44.3 t-20 -72.19 -62.75 1.32 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.884 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 613' ' ' LYS . . . . . . . . . . . . . 14.5 pttp -170.43 176.41 4.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.863 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 614' ' ' VAL . . . . . 0.663 HG23 ' HE2' ' A' ' 655' ' ' TYR . 88.6 t -115.08 115.47 49.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.143 179.822 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 615' ' ' THR . . . . . . . . . . . . . 95.3 m -87.26 135.72 33.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.162 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 616' ' ' PHE . . . . . 0.501 ' CD1' HG11 ' A' ' 620' ' ' VAL . 33.4 m-85 -112.24 166.71 11.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.893 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -125.78 163.31 23.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.846 -179.808 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 618' ' ' SER . . . . . . . . . . . . . 73.4 m -39.89 -60.62 0.98 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.873 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 619' ' ' GLU . . . . . 0.409 ' HB3' HD13 ' A' ' 723' ' ' ILE . 44.0 mm-40 -41.54 -35.96 0.82 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 620' ' ' VAL . . . . . 0.501 HG11 ' CD1' ' A' ' 616' ' ' PHE . 5.4 t -82.38 -56.34 6.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.105 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 621' ' ' LEU . . . . . 0.554 HD23 HD12 ' A' ' 651' ' ' LEU . 15.9 mt -46.82 -39.62 12.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 622' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -74.38 -49.38 22.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.919 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -43.31 -48.07 6.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.063 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 22.8 t -77.2 -43.52 33.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.855 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 625' ' ' GLY . . . . . . . . . . . . . . . 112.84 -163.0 12.19 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.459 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 626' ' ' ASP . . . . . . . . . . . . . 57.0 m-20 -83.82 41.37 0.79 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.841 0.353 . . . . 0.0 110.862 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 19.0 mmtp -123.49 176.98 5.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.927 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 628' ' ' GLU . . . . . 0.425 ' HA ' ' HD2' ' A' ' 629' ' ' PRO . 44.4 mt-10 -103.3 99.4 14.68 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.677 0.751 . . . . 0.0 110.893 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 629' ' ' PRO . . . . . 0.633 ' HD2' HD22 ' A' ' 651' ' ' LEU . 53.6 Cg_endo -69.76 110.38 2.54 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.704 2.269 . . . . 0.0 112.312 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 630' ' ' VAL . . . . . 0.57 HG12 ' CG2' ' A' ' 647' ' ' VAL . 11.2 t -86.8 120.6 36.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.15 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 631' ' ' THR . . . . . 0.45 ' O ' HG23 ' A' ' 647' ' ' VAL . 44.4 p -145.03 170.76 15.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.148 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 632' ' ' PHE . . . . . . . . . . . . . 25.1 p90 -155.42 152.94 29.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.905 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 633' ' ' CYS . . . . . 0.412 ' SG ' HG22 ' A' ' 682' ' ' VAL . 73.8 m -94.31 139.37 31.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.852 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 634' ' ' THR . . . . . . . . . . . . . 67.0 p -142.21 125.74 16.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.165 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 635' ' ' TYR . . . . . 0.4 ' CD1' HD12 ' A' ' 680' ' ' LEU . 18.6 p90 -170.2 169.57 7.74 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.955 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 636' ' ' ALA . . . . . . . . . . . . . . . -116.24 152.45 33.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.088 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 637' ' ' PHE . . . . . 0.79 ' CZ ' ' CD1' ' A' ' 607' ' ' PHE . 55.4 t80 -118.92 118.9 32.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.866 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 638' ' ' TYR . . . . . . . . . . . . . 6.3 t80 70.07 32.12 3.08 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.92 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 639' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 62.65 35.31 14.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.854 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 640' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -96.66 179.42 4.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -61.46 125.17 22.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.865 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 642' ' ' LEU . . . . . . . . . . . . . 1.6 tp -54.45 137.02 43.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.906 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 643' ' ' GLN . . . . . . . . . . . . . 7.7 tp-100 -113.44 119.56 38.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.901 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 644' ' ' THR . . . . . . . . . . . . . 49.3 m -85.17 121.5 28.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.167 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 645' ' ' THR . . . . . . . . . . . . . 52.1 p -79.13 153.1 77.11 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.578 0.704 . . . . 0.0 111.153 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 646' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 103.06 1.1 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.668 2.245 . . . . 0.0 112.343 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 647' ' ' VAL . . . . . 0.57 ' CG2' HG12 ' A' ' 630' ' ' VAL . 9.5 p -68.72 138.77 21.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.12 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 31.3 m -136.09 158.9 38.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.117 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 649' ' ' ARG . . . . . 0.415 ' N ' ' HD2' ' A' ' 649' ' ' ARG . 3.3 mpt_? -85.4 149.2 25.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.837 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 650' ' ' GLY . . . . . . . . . . . . . . . 125.01 166.45 12.37 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.477 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 651' ' ' LEU . . . . . 0.633 HD22 ' HD2' ' A' ' 629' ' ' PRO . 4.3 mm? -80.49 -65.61 0.99 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.825 0.345 . . . . 0.0 110.858 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 652' ' ' HIS . . . . . 0.486 ' CE1' ' H ' ' A' ' 616' ' ' PHE . 18.2 m170 -111.9 64.42 0.65 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.591 0.71 . . . . 0.0 110.852 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 653' ' ' PRO . . . . . 0.462 ' HD3' ' C ' ' A' ' 651' ' ' LEU . 54.1 Cg_endo -69.75 -174.06 0.83 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.653 2.235 . . . . 0.0 112.348 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -135.03 103.87 5.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.882 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 655' ' ' TYR . . . . . 0.663 ' HE2' HG23 ' A' ' 614' ' ' VAL . 14.9 m-85 -71.94 -56.92 4.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.922 -179.864 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 63.38 40.56 8.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.864 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 657' ' ' PHE . . . . . 0.539 ' CZ ' ' HB2' ' A' ' 659' ' ' SER . 3.5 t80 -84.41 135.57 34.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.85 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 39.3 m -135.52 136.88 41.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.169 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 659' ' ' SER . . . . . 0.539 ' HB2' ' CZ ' ' A' ' 657' ' ' PHE . 1.6 t -152.42 121.32 6.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.843 -179.853 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -110.28 147.58 33.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.879 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 661' ' ' TYR . . . . . . . . . . . . . 38.6 m-85 -150.76 132.87 15.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.916 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 662' ' ' LEU . . . . . 0.414 HD22 ' HA ' ' A' ' 662' ' ' LEU . 0.4 OUTLIER -72.63 114.29 10.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.959 179.916 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 663' ' ' VAL . . . . . 0.407 ' O ' HG23 ' A' ' 663' ' ' VAL . 15.4 m -115.64 119.18 61.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.1 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 664' ' ' HIS . . . . . . . . . . . . . 28.8 p-80 -88.26 97.66 11.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.852 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 665' ' ' VAL . . . . . 0.524 HG11 ' CD2' ' A' ' 669' ' ' PHE . 1.1 p -146.15 153.95 13.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.108 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 666' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -102.31 -174.04 2.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 667' ' ' ASP . . . . . 0.494 ' O ' ' N ' ' A' ' 669' ' ' PHE . 2.4 m-20 -41.55 -43.66 2.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 668' ' ' LEU . . . . . 0.457 ' C ' ' O ' ' A' ' 667' ' ' ASP . 4.3 mm? -33.95 -33.94 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 669' ' ' PHE . . . . . 0.524 ' CD2' HG11 ' A' ' 665' ' ' VAL . 42.1 t80 -53.1 -50.66 63.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.874 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 670' ' ' LEU . . . . . . . . . . . . . 38.9 mt -43.33 -45.22 5.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 671' ' ' GLN . . . . . 0.413 ' O ' ' C ' ' A' ' 672' ' ' TYR . 35.1 mt-30 -56.94 -58.48 7.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.923 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 672' ' ' TYR . . . . . 0.441 ' CD1' ' C ' ' A' ' 672' ' ' TYR . 0.3 OUTLIER -37.07 -37.71 0.17 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.895 -179.806 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 673' ' ' ILE . . . . . 0.482 HD13 HG21 ' A' ' 703' ' ' ILE . 88.7 mt -61.19 -55.16 26.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.149 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 674' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -68.15 -45.7 72.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 675' ' ' LYS . . . . . . . . . . . . . 33.8 mmtt -58.5 -64.87 0.77 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.92 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 676' ' ' ASN . . . . . 0.4 ' O ' ' O ' ' A' ' 673' ' ' ILE . 9.6 m-20 -111.4 164.22 13.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.893 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 20.0 p -125.55 164.57 20.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.128 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 678' ' ' ILE . . . . . . . . . . . . . 17.5 mt -87.46 133.08 31.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.135 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 55.6 m -100.57 107.85 19.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.164 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 680' ' ' LEU . . . . . 0.769 HD23 ' O ' ' A' ' 680' ' ' LEU . 6.1 tt -119.72 102.26 8.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.874 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 681' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 -106.87 137.01 45.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.897 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 682' ' ' VAL . . . . . 0.412 HG22 ' SG ' ' A' ' 633' ' ' CYS . 97.6 t -108.67 108.11 24.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.098 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 683' ' ' HIS . . . . . 0.421 ' CD2' ' H ' ' A' ' 683' ' ' HIS . 0.3 OUTLIER -95.5 155.11 16.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.83 179.925 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 684' ' ' GLN . . . . . 0.434 ' HG3' HG21 ' A' ' 693' ' ' ILE . 49.9 mt-30 -83.62 159.3 21.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.947 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -115.52 104.73 12.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.075 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 686' ' ' TYR . . . . . 0.599 ' CE1' ' OE1' ' A' ' 691' ' ' GLU . 39.2 p90 -128.67 132.29 48.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.962 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 687' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 686' ' ' TYR . 78.5 p 36.32 46.98 0.44 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.883 -179.85 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 688' ' ' THR . . . . . . . . . . . . . 2.3 p 62.77 38.57 11.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.154 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 689' ' ' GLU . . . . . 0.582 ' HB2' ' CE2' ' A' ' 686' ' ' TYR . 20.6 mt-10 -131.2 155.54 46.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 690' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -132.8 137.18 46.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.941 -179.856 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 691' ' ' GLU . . . . . 0.599 ' OE1' ' CE1' ' A' ' 686' ' ' TYR . 12.6 pt-20 -144.61 114.56 7.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.902 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 692' ' ' THR . . . . . . . . . . . . . 10.5 m -46.38 102.59 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.155 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 693' ' ' ILE . . . . . 0.589 HG23 ' O ' ' A' ' 691' ' ' GLU . 2.6 pp -95.74 -35.04 5.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.126 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 694' ' ' ALA . . . . . 0.57 ' CB ' HD12 ' A' ' 693' ' ' ILE . . . -142.15 145.03 33.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.102 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 695' ' ' ALA . . . . . . . . . . . . . . . -135.06 150.15 50.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.095 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 696' ' ' CYS . . . . . . . . . . . . . 22.0 p -156.32 160.0 39.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 697' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -117.8 117.24 28.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.958 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 698' ' ' LEU . . . . . 0.653 HD11 HD13 ' A' ' 680' ' ' LEU . 15.7 mt -84.55 132.58 34.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.938 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 699' ' ' LYS . . . . . . . . . . . . . 8.6 ptpt -151.74 134.53 15.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 700' ' ' PHE . . . . . 0.694 ' CD2' ' CD1' ' A' ' 733' ' ' PHE . 3.4 m-85 -107.25 125.88 51.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.888 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 701' ' ' HIS . . . . . . . . . . . . . 29.2 m-70 -91.68 -55.43 3.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.878 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 702' ' ' GLU . . . . . 0.409 ' HB2' HG21 ' A' ' 710' ' ' ILE . 43.9 mm-40 -47.24 -43.43 21.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 703' ' ' ILE . . . . . 0.557 ' HB ' ' CE2' ' A' ' 733' ' ' PHE . 17.8 tt -46.29 -29.44 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.1 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 704' ' ' LEU . . . . . . . . . . . . . 17.5 mt -56.85 -40.19 75.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.945 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 705' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -103.46 -47.8 4.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 706' ' ' LYS . . . . . . . . . . . . . 85.2 mttt -89.99 -179.72 5.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 707' ' ' SER . . . . . . . . . . . . . 47.8 m -159.07 105.13 1.73 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.858 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 708' ' ' GLY . . . . . 0.4 ' C ' ' HA ' ' A' ' 734' ' ' ARG . . . 142.42 -153.34 24.41 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.536 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 709' ' ' ARG . . . . . 0.433 ' C ' HG13 ' A' ' 710' ' ' ILE . 13.0 ttm180 -61.55 116.7 4.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.776 0.322 . . . . 0.0 110.888 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 710' ' ' ILE . . . . . 0.492 HD12 ' CZ ' ' A' ' 733' ' ' PHE . 23.6 mt -141.27 114.6 4.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.109 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 711' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -58.61 117.29 4.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 712' ' ' CYS . . . . . . . . . . . . . 1.7 p -148.22 168.12 23.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.934 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 713' ' ' THR . . . . . . . . . . . . . 52.4 p -150.28 168.83 22.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.093 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 714' ' ' ALA . . . . . 0.63 ' O ' HG23 ' A' ' 728' ' ' THR . . . -137.65 153.86 49.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.094 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 715' ' ' SER . . . . . . . . . . . . . 41.3 p -93.43 160.4 14.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.856 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 716' ' ' LEU . . . . . . . . . . . . . 15.0 mt -125.02 140.03 53.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.938 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 717' ' ' ILE . . . . . 0.476 ' N ' HD12 ' A' ' 717' ' ' ILE . 4.6 mp -128.66 132.29 67.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.132 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 718' ' ' GLY . . . . . . . . . . . . . . . -74.78 137.84 22.94 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.49 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 719' ' ' THR . . . . . . . . . . . . . 19.7 p -78.03 -61.47 1.99 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.876 0.37 . . . . 0.0 111.141 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 720' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.39 42.85 0.77 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.94 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 721' ' ' GLY . . . . . . . . . . . . . . . -167.95 -31.36 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.458 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 722' ' ' ASP . . . . . . . . . . . . . 27.6 t70 65.41 41.72 4.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.781 0.324 . . . . 0.0 110.856 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 723' ' ' ILE . . . . . 0.409 HD13 ' HB3' ' A' ' 619' ' ' GLU . 67.3 mt -95.86 109.65 47.47 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.588 0.709 . . . . 0.0 111.12 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 724' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -32.53 18.3 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.67 2.246 . . . . 0.0 112.343 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 725' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -87.44 37.27 0.77 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.913 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 726' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -62.68 -50.44 71.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 727' ' ' GLY . . . . . . . . . . . . . . . 161.83 177.88 35.26 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.511 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 728' ' ' THR . . . . . 0.63 HG23 ' O ' ' A' ' 714' ' ' ALA . 7.8 m -126.68 147.27 49.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.823 0.344 . . . . 0.0 111.103 -179.818 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 729' ' ' VAL . . . . . 0.452 HG12 ' HB3' ' A' ' 714' ' ' ALA . 12.8 p -106.43 142.09 20.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.123 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -108.72 124.2 50.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.861 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 731' ' ' TYR . . . . . 0.423 ' CE2' HD22 ' A' ' 698' ' ' LEU . 4.7 p90 -156.34 163.7 39.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.92 -179.847 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 732' ' ' TRP . . . . . 0.584 ' CH2' ' OE2' ' A' ' 608' ' ' GLU . 57.6 p-90 -139.93 125.08 18.72 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.918 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 733' ' ' PHE . . . . . 0.694 ' CD1' ' CD2' ' A' ' 700' ' ' PHE . 38.0 p90 -106.13 158.03 17.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 734' ' ' ARG . . . . . 0.4 ' HA ' ' C ' ' A' ' 708' ' ' GLY . 51.3 ttt180 -148.9 116.31 6.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.827 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 735' ' ' LEU . . . . . . . . . . . . . 8.5 tp -113.65 104.81 12.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.925 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 736' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? -152.66 153.89 34.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.838 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 737' ' ' VAL . . . . . . . . . . . . . 8.1 p -57.65 137.09 20.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.129 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 738' ' ' SER . . . . . . . . . . . . . 24.4 p . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.826 -179.82 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 604' ' ' GLU . . . . . 0.795 ' CG ' HD11 ' A' ' 662' ' ' LEU . 3.2 tp10 . . . . . 0 N--CA 1.458 -0.07 0 CA-C-O 120.846 0.355 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 605' ' ' ASN . . . . . . . . . . . . . 36.6 m-80 -115.1 165.16 13.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 606' ' ' LEU . . . . . 0.601 HD12 ' O ' ' A' ' 661' ' ' TYR . 5.5 tp -141.59 131.07 23.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.934 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 607' ' ' PHE . . . . . 0.423 ' CE2' HD11 ' A' ' 609' ' ' ILE . 9.8 t80 -120.33 134.17 55.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.851 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 608' ' ' GLU . . . . . 0.495 ' OE1' ' N ' ' A' ' 608' ' ' GLU . 13.6 pm0 -140.21 139.44 35.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.905 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 609' ' ' ILE . . . . . 0.423 HD11 ' CE2' ' A' ' 607' ' ' PHE . 5.3 mp -123.73 112.7 34.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.123 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 610' ' ' HIS . . . . . 0.691 ' HB2' HG23 ' A' ' 658' ' ' THR . 0.3 OUTLIER -96.91 134.34 40.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.816 179.9 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 45.5 mm -99.13 103.78 15.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.095 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 612' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -58.52 -66.33 0.51 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 613' ' ' LYS . . . . . . . . . . . . . 6.7 pttp -166.95 178.16 5.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 614' ' ' VAL . . . . . 0.499 HG23 ' HE2' ' A' ' 655' ' ' TYR . 98.1 t -125.61 127.81 71.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.114 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 615' ' ' THR . . . . . . . . . . . . . 31.3 m -108.64 143.89 37.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.13 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 616' ' ' PHE . . . . . 0.484 ' HB3' ' CG2' ' A' ' 620' ' ' VAL . 42.6 m-85 -124.07 167.83 13.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.895 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 617' ' ' SER . . . . . 0.494 ' O ' ' N ' ' A' ' 619' ' ' GLU . 23.2 t -114.24 154.95 27.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.865 -179.834 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 618' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 617' ' ' SER . 13.1 t -35.84 -30.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.8 -179.843 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 619' ' ' GLU . . . . . 0.494 ' N ' ' O ' ' A' ' 617' ' ' SER . 7.3 mm-40 -45.45 -68.47 0.19 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.858 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 620' ' ' VAL . . . . . 0.484 ' CG2' ' HB3' ' A' ' 616' ' ' PHE . 3.3 m -66.6 -44.01 90.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.109 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 621' ' ' LEU . . . . . 0.478 ' N ' ' CG2' ' A' ' 620' ' ' VAL . 12.5 mt -39.61 -41.04 0.98 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.925 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 622' ' ' GLN . . . . . . . . . . . . . 9.0 mm-40 -78.0 -43.71 28.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.915 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -49.58 -44.73 47.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.111 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 19.2 m -77.66 -62.46 1.66 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 625' ' ' GLY . . . . . . . . . . . . . . . 115.37 -149.49 18.84 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.478 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 626' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -85.22 43.42 1.01 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.902 0.382 . . . . 0.0 110.86 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 627' ' ' LYS . . . . . 0.401 ' O ' ' HD3' ' A' ' 629' ' ' PRO . 28.4 pttt -129.22 161.64 29.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 628' ' ' GLU . . . . . 0.431 ' HA ' ' HD2' ' A' ' 629' ' ' PRO . 35.0 mt-10 -97.22 103.16 14.45 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.661 0.743 . . . . 0.0 110.892 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 629' ' ' PRO . . . . . 0.431 ' HD2' ' HA ' ' A' ' 628' ' ' GLU . 54.1 Cg_endo -69.72 114.98 3.88 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.726 2.284 . . . . 0.0 112.37 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 630' ' ' VAL . . . . . 0.452 HG12 ' CG2' ' A' ' 647' ' ' VAL . 13.0 t -89.82 124.46 42.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.159 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 631' ' ' THR . . . . . 0.519 HG22 ' HG2' ' A' ' 684' ' ' GLN . 81.1 p -143.04 163.32 33.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.12 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 632' ' ' PHE . . . . . 0.403 ' CD1' ' O ' ' A' ' 632' ' ' PHE . 15.3 p90 -147.88 141.5 25.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 633' ' ' CYS . . . . . . . . . . . . . 35.2 m -90.4 154.66 19.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.838 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 634' ' ' THR . . . . . . . . . . . . . 6.3 p -154.17 132.81 12.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.164 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 635' ' ' TYR . . . . . . . . . . . . . 10.5 p90 -160.87 177.78 10.06 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.919 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 636' ' ' ALA . . . . . . . . . . . . . . . -151.14 155.13 38.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.114 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 637' ' ' PHE . . . . . 0.632 ' CE2' HG11 ' A' ' 663' ' ' VAL . 14.1 t80 -112.76 138.99 48.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.921 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 638' ' ' TYR . . . . . 0.574 ' HB2' ' CE2' ' A' ' 640' ' ' PHE . 16.9 m-85 42.84 40.49 2.13 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.915 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 639' ' ' ASP . . . . . . . . . . . . . 45.0 m-20 58.33 37.66 25.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.853 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 640' ' ' PHE . . . . . 0.574 ' CE2' ' HB2' ' A' ' 638' ' ' TYR . 16.6 m-85 -89.81 175.02 7.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.927 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -52.11 129.14 26.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 642' ' ' LEU . . . . . . . . . . . . . 8.3 tp -65.31 141.58 58.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.911 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 643' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -113.32 115.95 28.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 644' ' ' THR . . . . . . . . . . . . . 31.6 m -84.65 112.7 20.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.132 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 645' ' ' THR . . . . . . . . . . . . . 20.3 p -70.81 154.82 94.08 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.577 0.703 . . . . 0.0 111.127 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 646' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.85 106.24 1.64 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.669 2.246 . . . . 0.0 112.353 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 647' ' ' VAL . . . . . 0.51 HG23 ' O ' ' A' ' 631' ' ' THR . 11.4 p -68.79 135.69 27.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.146 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 12.0 t -129.75 145.51 35.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.108 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 649' ' ' ARG . . . . . . . . . . . . . 29.5 mtm180 -84.67 116.19 23.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.845 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 650' ' ' GLY . . . . . . . . . . . . . . . 151.74 176.49 24.54 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.464 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 651' ' ' LEU . . . . . 0.442 ' C ' ' HD3' ' A' ' 653' ' ' PRO . 38.1 mt -85.28 -59.21 2.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.816 0.341 . . . . 0.0 110.952 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 652' ' ' HIS . . . . . . . . . . . . . 4.1 m170 -111.39 66.31 0.61 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.603 0.716 . . . . 0.0 110.845 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 653' ' ' PRO . . . . . 0.442 ' HD3' ' C ' ' A' ' 651' ' ' LEU . 53.4 Cg_endo -69.79 163.8 36.94 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.663 2.242 . . . . 0.0 112.346 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -114.28 82.11 1.65 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.872 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 655' ' ' TYR . . . . . 0.499 ' HE2' HG23 ' A' ' 614' ' ' VAL . 31.4 m-85 -52.51 -56.53 14.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.92 -179.838 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 56.8 m-20 60.0 45.05 12.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.9 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 657' ' ' PHE . . . . . 0.564 ' CZ ' ' HB2' ' A' ' 659' ' ' SER . 51.9 t80 -104.13 124.14 48.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 658' ' ' THR . . . . . 0.691 HG23 ' HB2' ' A' ' 610' ' ' HIS . 0.7 OUTLIER -125.94 100.16 6.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.136 -179.95 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 659' ' ' SER . . . . . 0.564 ' HB2' ' CZ ' ' A' ' 657' ' ' PHE . 7.4 t -93.68 165.6 12.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.856 -179.844 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 660' ' ' GLN . . . . . 0.455 ' HB3' HD11 ' A' ' 606' ' ' LEU . 10.4 mt-30 -131.56 130.33 42.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.933 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 661' ' ' TYR . . . . . 0.601 ' O ' HD12 ' A' ' 606' ' ' LEU . 68.1 m-85 -125.77 119.66 28.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.948 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 662' ' ' LEU . . . . . 0.795 HD11 ' CG ' ' A' ' 604' ' ' GLU . 1.0 OUTLIER -79.15 109.82 13.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.957 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 663' ' ' VAL . . . . . 0.632 HG11 ' CE2' ' A' ' 637' ' ' PHE . 33.2 m -130.94 114.57 27.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.092 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 664' ' ' HIS . . . . . 0.742 ' O ' HG13 ' A' ' 665' ' ' VAL . 15.9 p-80 -94.23 102.55 14.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.871 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 665' ' ' VAL . . . . . 0.742 HG13 ' O ' ' A' ' 664' ' ' HIS . 4.5 m -165.51 165.53 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.113 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 666' ' ' ASN . . . . . . . . . . . . . 51.9 t30 -134.32 -63.01 0.73 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.896 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 667' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -81.2 -47.15 13.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.835 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 11.0 mp -57.99 -16.87 14.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 669' ' ' PHE . . . . . 0.441 ' HE1' HD11 ' A' ' 703' ' ' ILE . 19.3 t80 -77.9 -41.53 36.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 670' ' ' LEU . . . . . 0.42 HD22 HD23 ' A' ' 704' ' ' LEU . 15.0 mt -72.49 -59.82 2.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.975 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 671' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -54.17 -18.33 3.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.934 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 672' ' ' TYR . . . . . 0.457 ' CD1' ' C ' ' A' ' 672' ' ' TYR . 1.1 t80 -80.44 -35.18 35.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.962 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 673' ' ' ILE . . . . . 0.901 HD13 HG21 ' A' ' 703' ' ' ILE . 98.3 mt -78.52 -24.24 13.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.165 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 674' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -87.65 -61.93 1.61 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.906 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 675' ' ' LYS . . . . . . . . . . . . . 54.3 mttm -58.03 -62.41 1.84 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.847 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 676' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -103.85 166.8 10.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.858 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 677' ' ' THR . . . . . 0.605 HG21 ' NZ ' ' A' ' 699' ' ' LYS . 35.0 p -139.54 176.52 8.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.088 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 678' ' ' ILE . . . . . 0.412 HG22 ' N ' ' A' ' 679' ' ' THR . 12.8 mt -88.98 152.71 3.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.159 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 679' ' ' THR . . . . . 0.536 HG22 ' CD ' ' A' ' 681' ' ' GLU . 23.8 m -119.07 104.26 10.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.148 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 680' ' ' LEU . . . . . 0.634 HD23 ' O ' ' A' ' 680' ' ' LEU . 7.6 tt -120.69 104.36 9.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.947 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 681' ' ' GLU . . . . . 0.558 ' HB2' ' CE1' ' A' ' 683' ' ' HIS . 4.0 mp0 -107.19 143.35 35.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 682' ' ' VAL . . . . . . . . . . . . . 91.4 t -101.14 104.54 16.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.126 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 683' ' ' HIS . . . . . 0.558 ' CE1' ' HB2' ' A' ' 681' ' ' GLU . 10.8 m-70 -99.43 135.87 40.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.832 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 684' ' ' GLN . . . . . 0.519 ' HG2' HG22 ' A' ' 631' ' ' THR . 31.5 mt-30 -86.5 121.87 29.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.919 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -88.78 102.54 15.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.132 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 686' ' ' TYR . . . . . 0.553 ' CD2' ' O ' ' A' ' 689' ' ' GLU . 2.9 m-85 -79.4 168.92 18.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 -179.814 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 687' ' ' SER . . . . . . . . . . . . . 62.7 m -72.75 3.64 4.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.836 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 688' ' ' THR . . . . . . . . . . . . . 35.3 p -133.67 -63.58 0.74 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.158 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 689' ' ' GLU . . . . . 0.553 ' O ' ' CD2' ' A' ' 686' ' ' TYR . 6.2 tt0 -130.7 179.26 6.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 690' ' ' TYR . . . . . 0.477 ' CD1' ' N ' ' A' ' 690' ' ' TYR . 0.1 OUTLIER -139.96 136.36 33.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.926 -179.841 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 691' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -139.45 152.97 47.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.878 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 692' ' ' THR . . . . . . . . . . . . . 8.6 m -67.03 138.95 57.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.161 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 693' ' ' ILE . . . . . . . . . . . . . 5.9 pt -128.08 -27.58 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.104 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -145.42 150.04 35.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.155 179.813 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 695' ' ' ALA . . . . . . . . . . . . . . . -152.29 138.47 18.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.12 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 696' ' ' CYS . . . . . 0.525 ' HB3' HD23 ' A' ' 716' ' ' LEU . 11.5 p -149.96 164.46 35.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.887 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 697' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -115.24 111.7 21.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.95 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 698' ' ' LEU . . . . . 0.589 HD11 ' HB2' ' A' ' 680' ' ' LEU . 1.8 mt -74.45 136.35 42.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.902 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 699' ' ' LYS . . . . . 0.605 ' NZ ' HG21 ' A' ' 677' ' ' THR . 0.4 OUTLIER -153.7 130.96 11.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 179.832 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 700' ' ' PHE . . . . . 0.604 ' CD2' ' CE1' ' A' ' 733' ' ' PHE . 0.7 OUTLIER -109.88 124.97 52.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.843 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 701' ' ' HIS . . . . . . . . . . . . . 55.1 m-70 -89.42 -43.19 11.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.867 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 702' ' ' GLU . . . . . 0.78 ' HB2' HG21 ' A' ' 710' ' ' ILE . 5.6 mm-40 -50.55 -42.79 55.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 703' ' ' ILE . . . . . 0.901 HG21 HD13 ' A' ' 673' ' ' ILE . 8.9 tt -49.54 -17.34 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.104 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 704' ' ' LEU . . . . . 0.42 HD23 HD22 ' A' ' 670' ' ' LEU . 30.2 mt -75.58 -35.34 60.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.927 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 705' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -111.98 -51.07 2.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 706' ' ' LYS . . . . . . . . . . . . . 25.2 mttt -88.23 177.42 6.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.876 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 707' ' ' SER . . . . . . . . . . . . . 2.2 t -161.33 132.04 5.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.805 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 708' ' ' GLY . . . . . . . . . . . . . . . 107.35 -127.69 8.9 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.468 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 709' ' ' ARG . . . . . 0.423 ' C ' HG13 ' A' ' 710' ' ' ILE . 30.4 ttm180 -62.24 97.83 0.1 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.743 0.306 . . . . 0.0 110.893 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 710' ' ' ILE . . . . . 0.78 HG21 ' HB2' ' A' ' 702' ' ' GLU . 17.8 mt -140.48 115.3 6.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.159 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 711' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -93.65 140.41 29.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.843 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 712' ' ' CYS . . . . . . . . . . . . . 2.7 t -152.48 173.63 14.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.939 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 713' ' ' THR . . . . . . . . . . . . . 21.8 p -141.6 167.91 21.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.151 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 714' ' ' ALA . . . . . . . . . . . . . . . -150.24 140.86 22.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.137 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 715' ' ' SER . . . . . . . . . . . . . 48.0 m -80.74 162.29 24.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.891 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 716' ' ' LEU . . . . . 0.525 HD23 ' HB3' ' A' ' 696' ' ' CYS . 7.6 mt -131.44 133.96 45.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.965 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 717' ' ' ILE . . . . . 0.451 ' N ' HD12 ' A' ' 717' ' ' ILE . 4.3 mp -111.31 145.02 18.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.089 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 718' ' ' GLY . . . . . . . . . . . . . . . -79.01 127.96 8.3 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.525 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 719' ' ' THR . . . . . . . . . . . . . 17.4 p -49.68 -75.3 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.879 0.371 . . . . 0.0 111.164 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 720' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -103.03 30.85 4.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.89 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 721' ' ' GLY . . . . . . . . . . . . . . . -121.19 -19.34 3.58 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.507 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 722' ' ' ASP . . . . . . . . . . . . . 43.8 m-20 53.79 36.49 24.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.827 0.346 . . . . 0.0 110.868 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 723' ' ' ILE . . . . . . . . . . . . . 67.6 mt -104.43 106.34 53.72 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.631 0.729 . . . . 0.0 111.123 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 724' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -37.43 9.24 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.717 2.278 . . . . 0.0 112.339 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 725' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 -84.8 30.11 0.59 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 726' ' ' PHE . . . . . . . . . . . . . 8.9 t80 -52.57 -47.01 67.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 727' ' ' GLY . . . . . . . . . . . . . . . 159.65 157.99 8.9 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.504 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 728' ' ' THR . . . . . . . . . . . . . 2.5 m -107.25 142.98 36.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.822 0.344 . . . . 0.0 111.173 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 729' ' ' VAL . . . . . . . . . . . . . 13.0 p -103.72 138.47 28.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.122 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -110.46 102.81 11.4 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.861 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 731' ' ' TYR . . . . . . . . . . . . . 18.0 p90 -117.92 162.06 18.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 732' ' ' TRP . . . . . 0.568 ' CH2' ' HB3' ' A' ' 734' ' ' ARG . 80.0 t90 -139.65 124.59 18.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.907 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 733' ' ' PHE . . . . . 0.604 ' CE1' ' CD2' ' A' ' 700' ' ' PHE . 23.4 p90 -119.3 159.19 24.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 734' ' ' ARG . . . . . 0.568 ' HB3' ' CH2' ' A' ' 732' ' ' TRP . 8.6 ptt180 -148.04 122.18 9.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 735' ' ' LEU . . . . . . . . . . . . . 58.2 tp -108.49 104.63 14.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 736' ' ' ARG . . . . . 0.757 ' HE ' HG12 ' A' ' 737' ' ' VAL . 0.0 OUTLIER -138.26 115.02 10.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.909 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 737' ' ' VAL . . . . . 0.757 HG12 ' HE ' ' A' ' 736' ' ' ARG . 5.8 p -37.36 147.47 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.112 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 738' ' ' SER . . . . . . . . . . . . . 7.0 t . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.878 -179.891 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 604' ' ' GLU . . . . . 0.428 ' CG ' HD11 ' A' ' 662' ' ' LEU . 0.0 OUTLIER . . . . . 0 CA--C 1.527 0.066 0 CA-C-O 120.873 0.368 . . . . 0.0 110.896 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 605' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 -114.19 170.47 8.26 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 606' ' ' LEU . . . . . . . . . . . . . 19.5 tp -142.61 138.63 30.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.936 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 607' ' ' PHE . . . . . 0.577 ' CZ ' ' HB2' ' A' ' 733' ' ' PHE . 27.0 t80 -122.55 108.13 12.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.894 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 608' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -96.74 139.05 33.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.888 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 609' ' ' ILE . . . . . 0.838 HD11 ' CD1' ' A' ' 637' ' ' PHE . 30.1 mt -134.87 107.96 9.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.132 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 610' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -113.45 139.09 49.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.852 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 41.4 mm -102.14 125.54 56.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.088 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 612' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -78.1 -67.32 0.74 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.855 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 613' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.9 179.21 3.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.884 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 614' ' ' VAL . . . . . . . . . . . . . 98.7 t -130.88 116.16 33.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.172 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 615' ' ' THR . . . . . . . . . . . . . 44.8 m -87.8 138.05 31.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.112 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 616' ' ' PHE . . . . . 0.5 ' HB3' ' CG2' ' A' ' 620' ' ' VAL . 40.8 m-85 -113.98 167.25 10.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.922 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 617' ' ' SER . . . . . 0.464 ' O ' HG22 ' A' ' 620' ' ' VAL . 16.5 p -108.5 154.54 21.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.824 -179.763 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 618' ' ' SER . . . . . . . . . . . . . 81.2 p -41.9 -37.56 1.33 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.877 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 619' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -43.12 -67.65 0.26 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.887 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 620' ' ' VAL . . . . . 0.5 ' CG2' ' HB3' ' A' ' 616' ' ' PHE . 32.8 m -61.55 -29.81 46.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.107 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 621' ' ' LEU . . . . . 0.611 HD22 HD13 ' A' ' 651' ' ' LEU . 20.4 mt -62.16 -68.24 0.34 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 622' ' ' GLN . . . . . . . . . . . . . 3.5 mp0 -53.11 -44.61 67.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.933 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -52.65 -41.41 63.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.117 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 39.3 m -67.14 -69.16 0.33 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.825 -179.766 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 625' ' ' GLY . . . . . . . . . . . . . . . 125.58 -146.73 16.33 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.494 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 626' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -85.76 32.95 0.58 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.862 0.363 . . . . 0.0 110.869 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 39.7 mttp -146.92 121.08 9.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -74.37 118.68 71.79 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.661 0.743 . . . . 0.0 110.933 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 629' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 117.28 4.99 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.722 2.282 . . . . 0.0 112.342 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 630' ' ' VAL . . . . . . . . . . . . . 33.7 t -76.31 123.89 33.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.142 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 631' ' ' THR . . . . . 0.56 HG22 ' HG3' ' A' ' 684' ' ' GLN . 11.1 p -132.27 159.28 39.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.145 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 632' ' ' PHE . . . . . 0.649 ' CE1' ' NE2' ' A' ' 683' ' ' HIS . 39.5 p90 -144.31 136.96 26.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.851 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 633' ' ' CYS . . . . . 0.537 ' SG ' HG21 ' A' ' 645' ' ' THR . 0.8 OUTLIER -97.7 162.62 13.19 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.868 -179.956 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 634' ' ' THR . . . . . . . . . . . . . 32.5 p -154.39 136.86 15.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.11 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 635' ' ' TYR . . . . . 0.622 ' CD1' HD12 ' A' ' 680' ' ' LEU . 36.0 p90 -173.89 176.65 2.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.921 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 636' ' ' ALA . . . . . . . . . . . . . . . -151.65 161.8 42.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.109 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 637' ' ' PHE . . . . . 0.838 ' CD1' HD11 ' A' ' 609' ' ' ILE . 20.9 t80 -110.04 151.92 26.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.841 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 638' ' ' TYR . . . . . . . . . . . . . 4.0 t80 47.02 30.57 1.31 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.958 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 639' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 56.88 40.83 28.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.855 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 640' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -91.14 179.13 5.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -43.27 130.45 4.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.898 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 642' ' ' LEU . . . . . 0.448 HD13 ' C ' ' A' ' 642' ' ' LEU . 1.3 tm? -72.77 111.64 8.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.882 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 643' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -98.96 133.49 43.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 644' ' ' THR . . . . . . . . . . . . . 98.2 m -93.16 128.19 39.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.134 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 645' ' ' THR . . . . . 0.537 HG21 ' SG ' ' A' ' 633' ' ' CYS . 16.6 p -69.54 151.88 96.5 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.622 0.725 . . . . 0.0 111.1 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 646' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 124.12 10.75 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.686 2.257 . . . . 0.0 112.316 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 647' ' ' VAL . . . . . . . . . . . . . 18.8 t -68.8 140.4 18.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.163 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 58.8 t -140.69 138.73 35.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.139 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 649' ' ' ARG . . . . . . . . . . . . . 76.9 mtm-85 -84.89 121.12 27.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.831 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 650' ' ' GLY . . . . . . . . . . . . . . . 142.94 170.26 12.79 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.474 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 651' ' ' LEU . . . . . 0.611 HD13 HD22 ' A' ' 621' ' ' LEU . 16.6 mt -88.91 -44.7 10.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.835 0.35 . . . . 0.0 110.905 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 652' ' ' HIS . . . . . . . . . . . . . 10.9 m-70 -113.26 67.56 1.17 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.54 0.686 . . . . 0.0 110.862 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 653' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 177.53 5.49 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.689 2.259 . . . . 0.0 112.338 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 654' ' ' GLU . . . . . 0.453 ' O ' ' C ' ' A' ' 655' ' ' TYR . 20.4 mt-10 -131.61 64.75 1.58 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.888 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 655' ' ' TYR . . . . . 0.453 ' C ' ' O ' ' A' ' 654' ' ' GLU . 89.8 m-85 -34.22 -62.15 0.34 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.966 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 3.8 m120 58.07 40.37 25.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.901 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 657' ' ' PHE . . . . . . . . . . . . . 36.5 t80 -88.58 141.7 28.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 26.9 m -119.18 126.4 51.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.128 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 1.1 t -119.1 128.6 54.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.846 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -120.58 113.6 20.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.859 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 661' ' ' TYR . . . . . . . . . . . . . 47.8 m-85 -124.53 112.15 16.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.95 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 662' ' ' LEU . . . . . 0.428 HD11 ' CG ' ' A' ' 604' ' ' GLU . 0.4 OUTLIER -72.78 111.4 7.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 663' ' ' VAL . . . . . . . . . . . . . 7.2 m -123.61 133.21 69.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.12 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 664' ' ' HIS . . . . . . . . . . . . . 16.3 p80 -107.43 97.47 7.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 665' ' ' VAL . . . . . 0.553 HG13 ' HD2' ' A' ' 669' ' ' PHE . 6.8 p -175.38 154.28 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.099 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 666' ' ' ASN . . . . . 0.444 ' N ' HG22 ' A' ' 665' ' ' VAL . 34.1 m-80 -130.54 -71.14 0.59 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.86 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 667' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -64.38 -53.64 45.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.841 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 668' ' ' LEU . . . . . 0.421 ' HB2' ' CG2' ' A' ' 665' ' ' VAL . 11.1 mp -60.88 -15.13 27.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.898 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 669' ' ' PHE . . . . . 0.553 ' HD2' HG13 ' A' ' 665' ' ' VAL . 6.2 t80 -68.84 -31.42 70.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.871 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 670' ' ' LEU . . . . . 0.423 ' O ' ' N ' ' A' ' 672' ' ' TYR . 48.5 mt -80.6 -63.38 1.42 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.876 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 671' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -40.25 -27.59 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.93 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 672' ' ' TYR . . . . . 0.423 ' N ' ' O ' ' A' ' 670' ' ' LEU . 28.0 t80 -71.88 -56.86 4.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 -179.856 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 673' ' ' ILE . . . . . 0.679 ' CD1' HD13 ' A' ' 703' ' ' ILE . 61.7 mt -59.57 -35.54 59.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.113 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 674' ' ' GLN . . . . . 0.468 ' HG3' ' CD2' ' A' ' 704' ' ' LEU . 19.5 mt-30 -71.3 -62.42 1.41 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 675' ' ' LYS . . . . . . . . . . . . . 50.8 mttp -57.87 -64.47 0.9 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 676' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -105.79 163.12 12.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.883 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 30.2 p -140.55 173.61 11.32 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.104 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 678' ' ' ILE . . . . . 0.497 ' O ' ' N ' ' A' ' 698' ' ' LEU . 4.8 mp -88.43 143.22 11.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.086 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 35.4 m -116.74 106.94 14.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.139 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 680' ' ' LEU . . . . . 0.778 HD23 ' O ' ' A' ' 680' ' ' LEU . 4.1 tt -118.15 106.44 12.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.941 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 681' ' ' GLU . . . . . 0.47 ' OE1' ' N ' ' A' ' 681' ' ' GLU . 3.4 mp0 -98.69 139.85 33.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.849 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 682' ' ' VAL . . . . . . . . . . . . . 93.3 t -97.57 98.15 7.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.119 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 683' ' ' HIS . . . . . 0.649 ' NE2' ' CE1' ' A' ' 632' ' ' PHE . 1.4 p-80 -97.44 129.79 44.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.808 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 684' ' ' GLN . . . . . 0.56 ' HG3' HG22 ' A' ' 631' ' ' THR . 42.8 tt0 -88.65 141.51 28.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.891 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -113.84 131.43 56.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.115 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 686' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -96.41 168.95 10.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.94 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 687' ' ' SER . . . . . . . . . . . . . 12.9 t -62.53 -6.81 3.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.851 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 688' ' ' THR . . . . . . . . . . . . . 35.2 p -119.49 -73.03 0.66 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.119 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 689' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -116.77 -176.02 2.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.848 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 690' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -145.66 141.39 28.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.912 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 691' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -149.71 155.61 40.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.911 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 692' ' ' THR . . . . . . . . . . . . . 51.8 m -72.12 134.71 45.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.147 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 693' ' ' ILE . . . . . . . . . . . . . 7.6 pt -124.37 -23.71 2.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.144 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -139.5 147.75 41.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.083 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 695' ' ' ALA . . . . . . . . . . . . . . . -145.87 124.2 12.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.135 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 696' ' ' CYS . . . . . . . . . . . . . 20.2 p -136.95 149.85 47.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.862 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 697' ' ' GLN . . . . . . . . . . . . . 4.4 mp0 -102.53 117.69 35.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.942 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 698' ' ' LEU . . . . . 0.665 HD11 HD13 ' A' ' 680' ' ' LEU . 54.0 mt -77.77 127.24 32.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 699' ' ' LYS . . . . . . . . . . . . . 8.5 ptpt -155.37 137.31 14.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.898 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 700' ' ' PHE . . . . . 0.646 ' CD2' ' CD1' ' A' ' 733' ' ' PHE . 4.6 m-85 -112.67 125.01 53.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.853 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 701' ' ' HIS . . . . . . . . . . . . . 34.5 m-70 -89.15 -48.84 7.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.86 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 702' ' ' GLU . . . . . 0.409 ' CB ' HG21 ' A' ' 710' ' ' ILE . 17.7 mt-10 -50.15 -40.54 46.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 703' ' ' ILE . . . . . 0.679 HD13 ' CD1' ' A' ' 673' ' ' ILE . 13.5 tt -47.68 -19.1 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.131 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 704' ' ' LEU . . . . . 0.468 ' CD2' ' HG3' ' A' ' 674' ' ' GLN . 19.7 mt -79.55 -37.78 35.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.94 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 705' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -89.28 -46.75 8.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.865 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 706' ' ' LYS . . . . . 0.436 ' NZ ' HG12 ' A' ' 710' ' ' ILE . 1.7 ptmm? -121.39 169.2 10.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 707' ' ' SER . . . . . . . . . . . . . 50.9 m -144.86 127.86 16.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.866 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 708' ' ' GLY . . . . . 0.407 ' O ' ' N ' ' A' ' 710' ' ' ILE . . . 130.27 -135.29 8.24 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.499 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 709' ' ' ARG . . . . . . . . . . . . . 13.6 ptt180 -64.83 75.27 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.809 0.337 . . . . 0.0 110.848 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 710' ' ' ILE . . . . . 0.436 HG12 ' NZ ' ' A' ' 706' ' ' LYS . 26.1 mt -112.99 132.37 61.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.124 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 711' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -98.64 149.83 22.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 712' ' ' CYS . . . . . . . . . . . . . 17.9 m -161.89 174.97 12.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.862 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 713' ' ' THR . . . . . . . . . . . . . 24.6 p -148.7 167.58 25.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.126 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 714' ' ' ALA . . . . . . . . . . . . . . . -141.78 145.1 34.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.089 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 715' ' ' SER . . . . . . . . . . . . . 78.1 p -92.94 141.6 28.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 716' ' ' LEU . . . . . 0.527 ' C ' HD12 ' A' ' 717' ' ' ILE . 20.4 mt -106.28 149.35 26.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.904 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 717' ' ' ILE . . . . . 0.527 HD12 ' C ' ' A' ' 716' ' ' LEU . 4.8 mp -137.49 144.99 30.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.121 179.83 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 718' ' ' GLY . . . . . . . . . . . . . . . -85.07 149.75 24.31 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.493 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 719' ' ' THR . . . . . . . . . . . . . 43.7 p -91.19 -41.99 10.69 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.809 0.337 . . . . 0.0 111.123 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 720' ' ' LYS . . . . . 0.457 ' HE3' ' N ' ' A' ' 721' ' ' GLY . 0.0 OUTLIER -107.54 23.68 14.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.922 179.884 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 721' ' ' GLY . . . . . 0.457 ' N ' ' HE3' ' A' ' 720' ' ' LYS . . . -141.96 -34.1 0.11 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.471 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 722' ' ' ASP . . . . . . . . . . . . . 12.0 t70 67.33 34.99 4.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.82 0.343 . . . . 0.0 110.89 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 723' ' ' ILE . . . . . . . . . . . . . 72.7 mt -94.45 106.55 24.22 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.64 0.733 . . . . 0.0 111.148 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 724' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -27.12 26.93 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.7 2.267 . . . . 0.0 112.334 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 725' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -94.4 34.74 1.26 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.858 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 726' ' ' PHE . . . . . 0.481 ' CE1' HG11 ' A' ' 620' ' ' VAL . 4.1 t80 -61.23 -43.7 98.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 727' ' ' GLY . . . . . . . . . . . . . . . 158.81 154.24 7.12 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.479 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 728' ' ' THR . . . . . . . . . . . . . 15.0 m -105.53 148.49 27.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.84 0.353 . . . . 0.0 111.134 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 729' ' ' VAL . . . . . . . . . . . . . 7.6 p -109.72 138.6 36.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.099 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -109.33 136.29 49.01 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.891 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 731' ' ' TYR . . . . . . . . . . . . . 19.8 p90 -159.33 176.47 12.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.876 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 732' ' ' TRP . . . . . . . . . . . . . 60.0 p-90 -155.4 121.0 4.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.924 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 733' ' ' PHE . . . . . 0.646 ' CD1' ' CD2' ' A' ' 700' ' ' PHE . 30.8 p90 -105.98 147.77 28.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.868 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 734' ' ' ARG . . . . . . . . . . . . . 5.5 ptm180 -135.11 121.8 20.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.92 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 735' ' ' LEU . . . . . . . . . . . . . 42.1 tp -114.61 105.34 12.96 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.935 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 736' ' ' ARG . . . . . . . . . . . . . 2.7 tpm_? -154.75 151.17 28.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 737' ' ' VAL . . . . . . . . . . . . . 13.5 p -44.68 146.87 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.142 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 738' ' ' SER . . . . . . . . . . . . . 11.7 t . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.858 -179.879 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 604' ' ' GLU . . . . . 0.641 ' HB3' HD11 ' A' ' 662' ' ' LEU . 35.6 mp0 . . . . . 0 N--CA 1.458 -0.074 0 CA-C-O 120.861 0.362 . . . . 0.0 110.918 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 605' ' ' ASN . . . . . . . . . . . . . 11.9 m-20 -122.48 144.39 49.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.887 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 606' ' ' LEU . . . . . 0.478 HD23 ' N ' ' A' ' 607' ' ' PHE . 3.4 tt -130.08 130.1 44.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 607' ' ' PHE . . . . . 0.484 ' CD2' HD13 ' A' ' 735' ' ' LEU . 0.6 OUTLIER -111.85 122.46 47.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 179.921 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 608' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -113.8 128.88 56.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.857 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 609' ' ' ILE . . . . . . . . . . . . . 56.4 mt -125.88 106.96 16.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.185 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 610' ' ' HIS . . . . . 0.413 ' HB3' ' CE2' ' A' ' 732' ' ' TRP . 6.9 t-80 -115.11 134.43 55.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 22.3 mm -100.76 125.0 54.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.115 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 612' ' ' ASN . . . . . . . . . . . . . 14.3 m-20 -78.38 -66.54 0.84 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 613' ' ' LYS . . . . . . . . . . . . . 12.9 pttp -169.54 176.85 4.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 614' ' ' VAL . . . . . . . . . . . . . 41.7 t -122.6 119.23 57.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.139 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 615' ' ' THR . . . . . . . . . . . . . 27.7 m -90.65 145.44 24.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.137 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 616' ' ' PHE . . . . . 0.472 ' HB3' ' CG2' ' A' ' 620' ' ' VAL . 25.3 m-85 -121.83 166.82 13.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.869 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 1.5 t -108.51 152.46 24.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.867 -179.76 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 618' ' ' SER . . . . . 0.443 ' HA ' HD12 ' A' ' 621' ' ' LEU . 92.6 p -42.07 -27.25 0.12 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.862 -179.853 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 619' ' ' GLU . . . . . . . . . . . . . 63.7 mm-40 -50.39 -69.74 0.1 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 620' ' ' VAL . . . . . 0.472 ' CG2' ' HB3' ' A' ' 616' ' ' PHE . 16.1 m -57.58 -31.52 39.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.134 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 621' ' ' LEU . . . . . 0.561 ' CD2' ' CD2' ' A' ' 651' ' ' LEU . 19.4 mt -58.97 -52.68 64.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 622' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -65.68 -52.53 50.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.922 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -54.58 -37.28 65.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.076 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 3.3 m -65.61 -75.14 0.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.848 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 625' ' ' GLY . . . . . . . . . . . . . . . 124.24 -144.87 15.63 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.487 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 626' ' ' ASP . . . . . . . . . . . . . 40.9 m-20 -86.11 33.72 0.61 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.806 0.336 . . . . 0.0 110.846 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 16.7 ptpt -136.6 177.54 7.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -131.3 122.86 19.28 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.672 0.748 . . . . 0.0 110.917 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 629' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 120.15 6.98 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.681 2.254 . . . . 0.0 112.376 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 630' ' ' VAL . . . . . 0.55 HG22 ' HA ' ' A' ' 649' ' ' ARG . 38.9 t -90.38 110.36 21.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.161 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 631' ' ' THR . . . . . 0.596 HG22 ' HG2' ' A' ' 684' ' ' GLN . 6.1 p -130.47 173.28 11.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.211 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 632' ' ' PHE . . . . . 0.449 ' CE2' ' CE1' ' A' ' 683' ' ' HIS . 6.1 p90 -152.88 152.05 31.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.885 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 633' ' ' CYS . . . . . . . . . . . . . 80.7 m -97.7 143.28 28.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 634' ' ' THR . . . . . . . . . . . . . 13.2 p -142.07 130.59 22.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.132 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 635' ' ' TYR . . . . . 0.554 ' CD1' HD12 ' A' ' 680' ' ' LEU . 16.3 p90 -172.02 170.46 5.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.938 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 636' ' ' ALA . . . . . . . . . . . . . . . -123.69 158.42 31.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.089 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 637' ' ' PHE . . . . . . . . . . . . . 83.8 t80 -112.98 144.2 42.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.866 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 638' ' ' TYR . . . . . 0.524 ' HB3' ' CE2' ' A' ' 640' ' ' PHE . 8.1 t80 39.18 37.86 0.28 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.911 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 639' ' ' ASP . . . . . . . . . . . . . 31.7 m-20 58.87 48.92 10.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.829 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 640' ' ' PHE . . . . . 0.524 ' CE2' ' HB3' ' A' ' 638' ' ' TYR . 17.3 m-85 -110.15 -177.75 3.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.837 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -46.93 143.51 2.9 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.937 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 642' ' ' LEU . . . . . 0.405 HD13 ' N ' ' A' ' 643' ' ' GLN . 0.8 OUTLIER -73.2 114.0 10.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.941 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 643' ' ' GLN . . . . . 0.405 ' N ' HD13 ' A' ' 642' ' ' LEU . 5.7 tp-100 -91.54 120.17 32.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 644' ' ' THR . . . . . . . . . . . . . 98.7 m -99.07 120.78 40.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.13 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 645' ' ' THR . . . . . . . . . . . . . 35.8 p -74.29 153.23 88.17 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.548 0.689 . . . . 0.0 111.176 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 646' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 129.14 17.04 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.643 2.229 . . . . 0.0 112.341 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 647' ' ' VAL . . . . . . . . . . . . . 24.4 t -69.32 139.5 20.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.095 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 59.3 t -142.66 136.18 27.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.139 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 649' ' ' ARG . . . . . 0.55 ' HA ' HG22 ' A' ' 630' ' ' VAL . 29.3 mtt180 -85.13 112.16 20.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.85 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 650' ' ' GLY . . . . . . . . . . . . . . . 159.5 166.63 18.82 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.516 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 651' ' ' LEU . . . . . 0.561 ' CD2' ' CD2' ' A' ' 621' ' ' LEU . 5.0 mp -95.46 -31.82 13.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.808 0.337 . . . . 0.0 110.904 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 652' ' ' HIS . . . . . . . . . . . . . 9.4 m-70 -129.75 57.05 27.94 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.606 0.717 . . . . 0.0 110.875 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 653' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 -178.33 2.27 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.717 2.278 . . . . 0.0 112.329 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -131.69 76.43 1.71 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 655' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -43.08 -53.17 5.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.903 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 57.84 37.44 26.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.833 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 657' ' ' PHE . . . . . 0.544 ' CZ ' ' OG ' ' A' ' 659' ' ' SER . 10.2 t80 -87.01 142.96 27.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.879 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 7.3 m -128.16 110.42 12.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.166 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 659' ' ' SER . . . . . 0.544 ' OG ' ' CZ ' ' A' ' 657' ' ' PHE . 3.5 m -120.85 108.43 13.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.85 -179.835 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 660' ' ' GLN . . . . . 0.421 ' HB2' HD21 ' A' ' 606' ' ' LEU . 15.4 pt20 -145.55 146.63 31.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.971 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 661' ' ' TYR . . . . . . . . . . . . . 68.5 m-85 -154.62 150.63 27.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.939 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 662' ' ' LEU . . . . . 0.641 HD11 ' HB3' ' A' ' 604' ' ' GLU . 0.8 OUTLIER -72.44 105.6 4.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.949 179.932 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 663' ' ' VAL . . . . . . . . . . . . . 9.7 m -107.53 123.4 62.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.091 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 664' ' ' HIS . . . . . . . . . . . . . 44.7 m-70 -87.22 100.72 12.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.868 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 665' ' ' VAL . . . . . 0.689 HG22 ' H ' ' A' ' 666' ' ' ASN . 3.8 p -149.9 174.65 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.097 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 666' ' ' ASN . . . . . 0.689 ' H ' HG22 ' A' ' 665' ' ' VAL . 6.1 m120 -126.62 -174.7 3.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.888 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 667' ' ' ASP . . . . . 0.431 ' C ' ' O ' ' A' ' 666' ' ' ASN . 7.5 t70 -34.93 -33.0 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 668' ' ' LEU . . . . . 0.483 ' N ' ' O ' ' A' ' 666' ' ' ASN . 55.0 mt -40.36 -47.36 2.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 669' ' ' PHE . . . . . 0.424 ' HB2' HG11 ' A' ' 665' ' ' VAL . 24.6 t80 -44.32 -54.13 6.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 670' ' ' LEU . . . . . 0.479 HD22 ' O ' ' A' ' 703' ' ' ILE . 80.5 mt -45.14 -52.89 8.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.928 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 671' ' ' GLN . . . . . 0.416 ' O ' ' CG ' ' A' ' 674' ' ' GLN . 74.6 mt-30 -46.75 -58.43 3.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.935 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 672' ' ' TYR . . . . . 0.506 ' C ' ' CD1' ' A' ' 672' ' ' TYR . 0.2 OUTLIER -37.94 -39.43 0.38 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.91 -179.882 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 673' ' ' ILE . . . . . . . . . . . . . 5.3 mm -53.61 -51.65 40.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.141 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 674' ' ' GLN . . . . . 0.416 ' CG ' ' O ' ' A' ' 671' ' ' GLN . 4.8 pt20 -73.58 -34.67 65.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.925 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 675' ' ' LYS . . . . . . . . . . . . . 23.6 mtpp -72.46 -71.81 0.27 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.885 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 676' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -116.93 128.79 55.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 23.3 p -101.16 178.2 4.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.114 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 678' ' ' ILE . . . . . . . . . . . . . 4.5 mp -94.24 138.43 20.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.163 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 6.3 m -110.45 100.8 9.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.13 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 680' ' ' LEU . . . . . 0.554 HD12 ' CD1' ' A' ' 635' ' ' TYR . 7.1 tt -107.16 114.86 29.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.913 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 681' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -107.91 144.21 35.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.869 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 682' ' ' VAL . . . . . . . . . . . . . 83.1 t -110.64 112.35 40.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.13 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 683' ' ' HIS . . . . . 0.449 ' CE1' ' CE2' ' A' ' 632' ' ' PHE . 0.1 OUTLIER -106.15 155.5 19.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.858 179.936 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 684' ' ' GLN . . . . . 0.75 ' HG3' HD13 ' A' ' 693' ' ' ILE . 18.8 mt-30 -92.37 154.16 18.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.884 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -108.39 109.12 20.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.135 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 686' ' ' TYR . . . . . 0.458 ' HB2' ' CG ' ' A' ' 689' ' ' GLU . 10.5 m-85 -95.84 168.08 10.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.975 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 687' ' ' SER . . . . . 0.448 ' C ' ' O ' ' A' ' 686' ' ' TYR . 60.6 p -34.54 -73.58 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.832 -179.814 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 688' ' ' THR . . . . . . . . . . . . . 2.3 t -125.59 14.17 8.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.144 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 689' ' ' GLU . . . . . 0.458 ' CG ' ' HB2' ' A' ' 686' ' ' TYR . 3.3 pt-20 -128.95 167.97 16.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.931 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 690' ' ' TYR . . . . . 0.403 ' CG ' ' C ' ' A' ' 689' ' ' GLU . 0.7 OUTLIER -154.11 138.54 16.76 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.943 -179.873 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 691' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -149.42 150.28 32.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.886 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 692' ' ' THR . . . . . . . . . . . . . 5.7 m -73.73 133.9 43.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.11 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 693' ' ' ILE . . . . . 0.75 HD13 ' HG3' ' A' ' 684' ' ' GLN . 10.9 pt -117.75 -28.74 2.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.179 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 694' ' ' ALA . . . . . 0.464 ' N ' HG13 ' A' ' 693' ' ' ILE . . . -142.48 152.64 42.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.09 179.8 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 695' ' ' ALA . . . . . . . . . . . . . . . -150.42 133.52 16.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.121 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 696' ' ' CYS . . . . . . . . . . . . . 20.0 p -153.35 178.63 9.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 697' ' ' GLN . . . . . 0.528 ' N ' ' CD ' ' A' ' 697' ' ' GLN . 0.0 OUTLIER -130.19 140.52 50.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.935 -179.924 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 698' ' ' LEU . . . . . 0.554 HD22 ' CE2' ' A' ' 731' ' ' TYR . 32.4 mt -94.87 104.63 16.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 699' ' ' LYS . . . . . . . . . . . . . 7.9 ptpt -124.3 130.05 51.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 179.79 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 700' ' ' PHE . . . . . 0.653 ' O ' HG22 ' A' ' 703' ' ' ILE . 2.4 m-85 -110.29 125.16 52.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.865 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 701' ' ' HIS . . . . . . . . . . . . . 40.1 m-70 -88.57 -51.56 5.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.886 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 702' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -52.39 -24.09 7.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.868 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 703' ' ' ILE . . . . . 0.653 HG22 ' O ' ' A' ' 700' ' ' PHE . 13.0 tt -66.14 -4.24 2.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.141 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 704' ' ' LEU . . . . . . . . . . . . . 29.3 mt -91.7 -29.16 16.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.935 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 705' ' ' GLU . . . . . 0.455 ' CG ' ' N ' ' A' ' 706' ' ' LYS . 6.6 pt-20 -107.14 -46.26 3.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.876 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 706' ' ' LYS . . . . . 0.455 ' N ' ' CG ' ' A' ' 705' ' ' GLU . 4.9 ptpp? -111.94 140.51 46.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 707' ' ' SER . . . . . . . . . . . . . 93.7 p -124.13 114.41 19.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.828 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 708' ' ' GLY . . . . . 0.445 ' O ' ' N ' ' A' ' 710' ' ' ILE . . . 132.95 -145.86 17.81 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.517 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 709' ' ' ARG . . . . . . . . . . . . . 5.7 tmm_? -44.7 93.46 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.833 0.349 . . . . 0.0 110.852 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 710' ' ' ILE . . . . . 0.445 ' N ' ' O ' ' A' ' 708' ' ' GLY . 25.5 mt -139.28 147.39 24.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.091 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 711' ' ' PHE . . . . . . . . . . . . . 80.2 m-85 -114.06 139.44 49.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 712' ' ' CYS . . . . . . . . . . . . . 13.4 t -156.4 163.4 39.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.85 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 713' ' ' THR . . . . . . . . . . . . . 34.2 p -142.03 163.52 32.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.142 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 714' ' ' ALA . . . . . . . . . . . . . . . -131.65 161.73 32.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.091 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 715' ' ' SER . . . . . . . . . . . . . 45.9 t -103.34 137.83 40.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 716' ' ' LEU . . . . . . . . . . . . . 19.1 mt -107.93 138.07 44.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.902 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 717' ' ' ILE . . . . . . . . . . . . . 4.0 mp -123.18 142.67 38.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.096 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 718' ' ' GLY . . . . . . . . . . . . . . . -88.72 150.67 21.82 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.503 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 719' ' ' THR . . . . . . . . . . . . . 79.9 p -91.22 -70.98 0.66 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.847 0.356 . . . . 0.0 111.123 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 720' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -77.3 56.12 1.3 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 721' ' ' GLY . . . . . . . . . . . . . . . 176.14 -26.69 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.467 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 722' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 59.59 53.55 4.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.747 0.308 . . . . 0.0 110.873 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 723' ' ' ILE . . . . . . . . . . . . . 79.1 mt -103.85 106.72 54.04 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.625 0.726 . . . . 0.0 111.154 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 724' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -34.27 15.06 Favored 'Trans proline' 0 N--CA 1.465 -0.178 0 C-N-CA 122.752 2.301 . . . . 0.0 112.338 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 725' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -93.85 29.86 1.97 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 726' ' ' PHE . . . . . . . . . . . . . 25.2 t80 -52.37 -46.87 66.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 727' ' ' GLY . . . . . . . . . . . . . . . 171.99 178.8 42.51 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.49 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 728' ' ' THR . . . . . . . . . . . . . 2.6 m -131.52 145.73 51.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.85 0.357 . . . . 0.0 111.14 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 729' ' ' VAL . . . . . 0.469 HG13 ' CE2' ' A' ' 731' ' ' TYR . 8.8 p -107.77 129.66 61.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.154 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -105.68 129.66 53.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 731' ' ' TYR . . . . . 0.554 ' CE2' HD22 ' A' ' 698' ' ' LEU . 0.9 OUTLIER -157.97 168.23 27.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.936 -179.866 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 732' ' ' TRP . . . . . 0.413 ' CE2' ' HB3' ' A' ' 610' ' ' HIS . 63.7 p-90 -141.49 134.9 29.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.906 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 733' ' ' PHE . . . . . 0.556 ' CD1' ' CD2' ' A' ' 700' ' ' PHE . 31.0 p90 -118.89 148.32 43.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.866 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 734' ' ' ARG . . . . . . . . . . . . . 18.9 ttm180 -147.05 113.14 5.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.872 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 735' ' ' LEU . . . . . 0.484 HD13 ' CD2' ' A' ' 607' ' ' PHE . 25.5 tp -115.35 106.77 14.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 736' ' ' ARG . . . . . . . . . . . . . 33.3 mmm-85 -148.2 161.36 41.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 737' ' ' VAL . . . . . . . . . . . . . 9.0 p -60.84 132.5 26.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.099 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 738' ' ' SER . . . . . . . . . . . . . 11.2 t . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.884 -179.863 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 604' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 . . . . . 0 C--O 1.23 0.049 0 CA-C-O 120.895 0.379 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 605' ' ' ASN . . . . . . . . . . . . . 19.9 m-80 -128.99 131.33 47.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.904 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 606' ' ' LEU . . . . . . . . . . . . . 53.1 tp -121.54 115.91 23.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.94 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 607' ' ' PHE . . . . . 0.794 ' CD2' ' CE2' ' A' ' 637' ' ' PHE . 7.6 t80 -110.79 132.71 53.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 608' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -147.08 133.71 19.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 609' ' ' ILE . . . . . 0.461 HD11 ' CE2' ' A' ' 607' ' ' PHE . 5.4 mp -115.48 116.26 51.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.156 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 610' ' ' HIS . . . . . 0.538 ' CE1' ' HA ' ' A' ' 656' ' ' ASN . 12.4 t60 -102.13 103.26 13.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 48.8 mm -70.05 108.45 2.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.157 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 612' ' ' ASN . . . . . . . . . . . . . 36.3 t-20 -64.12 -66.33 0.56 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 613' ' ' LYS . . . . . . . . . . . . . 14.6 pttp -170.46 160.79 7.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 614' ' ' VAL . . . . . 0.436 ' O ' HG13 ' A' ' 614' ' ' VAL . 11.0 p -106.1 124.22 61.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.089 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 615' ' ' THR . . . . . . . . . . . . . 41.7 m -94.37 148.6 22.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.127 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 616' ' ' PHE . . . . . 0.51 ' HB3' ' CG2' ' A' ' 620' ' ' VAL . 61.2 m-85 -127.73 151.01 49.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.862 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 617' ' ' SER . . . . . 0.449 ' O ' ' C ' ' A' ' 618' ' ' SER . 3.5 m -100.52 150.05 23.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.837 -179.762 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 618' ' ' SER . . . . . 0.562 ' HA ' HD12 ' A' ' 621' ' ' LEU . 29.2 m -34.13 -39.65 0.08 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.833 -179.844 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 619' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -38.32 -67.27 0.21 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.917 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 620' ' ' VAL . . . . . 0.514 ' O ' ' HB3' ' A' ' 623' ' ' ALA . 23.8 m -68.47 -46.46 80.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.13 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 621' ' ' LEU . . . . . 0.562 HD12 ' HA ' ' A' ' 618' ' ' SER . 40.0 mt -43.26 -64.91 0.56 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 622' ' ' GLN . . . . . . . . . . . . . 34.7 mm-40 -51.46 -44.82 62.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 623' ' ' ALA . . . . . 0.514 ' HB3' ' O ' ' A' ' 620' ' ' VAL . . . -43.82 -46.59 7.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.129 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 13.3 t -69.02 -59.59 2.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.879 -179.763 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 625' ' ' GLY . . . . . . . . . . . . . . . 80.99 106.64 0.31 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.498 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 626' ' ' ASP . . . . . . . . . . . . . 14.6 t0 42.81 29.16 0.16 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.836 0.351 . . . . 0.0 110.858 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 22.3 mttm -143.76 142.19 30.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.911 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -112.02 116.77 49.06 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.649 0.738 . . . . 0.0 110.822 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 629' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 142.51 47.99 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.659 2.239 . . . . 0.0 112.339 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 630' ' ' VAL . . . . . . . . . . . . . 16.7 t -104.16 112.84 39.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.188 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 631' ' ' THR . . . . . 0.54 HG22 ' HA ' ' A' ' 684' ' ' GLN . 21.0 p -135.21 175.2 9.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.105 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 632' ' ' PHE . . . . . 0.712 ' CZ ' ' CD2' ' A' ' 683' ' ' HIS . 3.4 p90 -148.93 157.42 43.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 633' ' ' CYS . . . . . 0.477 ' SG ' HG22 ' A' ' 682' ' ' VAL . 89.4 m -108.56 137.22 46.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 634' ' ' THR . . . . . . . . . . . . . 41.1 p -138.69 127.42 23.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.089 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 635' ' ' TYR . . . . . 0.545 ' CD1' HD12 ' A' ' 680' ' ' LEU . 11.4 p90 -169.23 165.41 10.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 636' ' ' ALA . . . . . 0.4 ' HB2' HD12 ' A' ' 642' ' ' LEU . . . -118.24 161.96 19.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.125 179.857 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 637' ' ' PHE . . . . . 0.794 ' CE2' ' CD2' ' A' ' 607' ' ' PHE . 26.6 t80 -121.86 124.14 43.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.904 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 638' ' ' TYR . . . . . . . . . . . . . 7.1 t80 59.21 32.24 21.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.889 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 639' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 62.72 53.75 2.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 640' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -113.84 174.87 5.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -54.4 115.47 2.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.85 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 642' ' ' LEU . . . . . 0.4 HD12 ' HB2' ' A' ' 636' ' ' ALA . 2.1 tp -47.7 143.48 3.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.897 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 643' ' ' GLN . . . . . . . . . . . . . 2.7 tp60 -117.31 114.48 23.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.908 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 644' ' ' THR . . . . . . . . . . . . . 57.3 m -81.89 112.34 18.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.135 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 645' ' ' THR . . . . . . . . . . . . . 72.4 p -73.82 152.97 89.16 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.604 0.716 . . . . 0.0 111.115 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 646' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 122.68 9.35 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.665 2.243 . . . . 0.0 112.349 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 647' ' ' VAL . . . . . 0.624 HG22 ' HB3' ' A' ' 632' ' ' PHE . 74.7 t -68.25 132.46 32.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.119 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 78.7 t -131.37 130.74 63.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.094 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 649' ' ' ARG . . . . . . . . . . . . . 8.1 ptt180 -85.38 120.82 27.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.906 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 650' ' ' GLY . . . . . . . . . . . . . . . 147.87 146.12 4.29 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.457 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 651' ' ' LEU . . . . . 0.522 HD22 ' CD2' ' A' ' 621' ' ' LEU . 42.5 mt -61.04 -44.97 96.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.877 0.37 . . . . 0.0 110.914 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 652' ' ' HIS . . . . . . . . . . . . . 13.7 m80 -113.9 75.65 2.96 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.557 0.694 . . . . 0.0 110.895 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 653' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 169.97 17.72 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.631 2.221 . . . . 0.0 112.322 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 31.9 mp0 -128.94 69.63 1.4 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.934 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 655' ' ' TYR . . . . . . . . . . . . . 68.3 m-85 -42.09 -65.16 0.49 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.943 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 656' ' ' ASN . . . . . 0.538 ' HA ' ' CE1' ' A' ' 610' ' ' HIS . 24.3 m-80 50.24 41.91 24.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.856 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 657' ' ' PHE . . . . . . . . . . . . . 24.8 t80 -102.21 139.22 38.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.948 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 14.6 m -125.79 145.98 49.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.124 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 2.1 t -144.65 125.03 13.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -103.38 138.09 40.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.912 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 661' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -148.69 121.12 8.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.903 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 662' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -77.78 115.75 17.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.944 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 663' ' ' VAL . . . . . 0.473 HG23 ' O ' ' A' ' 663' ' ' VAL . 20.3 m -124.46 115.58 45.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.129 179.844 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 664' ' ' HIS . . . . . 0.514 ' CG ' ' O ' ' A' ' 664' ' ' HIS . 47.7 p-80 -84.43 97.84 9.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 665' ' ' VAL . . . . . 0.491 ' CG2' ' HB2' ' A' ' 668' ' ' LEU . 9.8 p -174.97 152.14 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.145 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 666' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -130.74 -71.26 0.59 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.931 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 667' ' ' ASP . . . . . 0.401 ' C ' ' N ' ' A' ' 669' ' ' PHE . 0.5 OUTLIER -60.91 -63.49 1.28 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.865 179.918 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 668' ' ' LEU . . . . . 0.491 ' HB2' ' CG2' ' A' ' 665' ' ' VAL . 4.0 mm? -44.93 -22.36 0.09 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.907 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 669' ' ' PHE . . . . . 0.438 ' O ' ' CD2' ' A' ' 672' ' ' TYR . 1.0 OUTLIER -65.33 -49.34 69.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 670' ' ' LEU . . . . . 0.478 HD22 ' HA ' ' A' ' 704' ' ' LEU . 18.9 mt -78.83 -30.0 45.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.922 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 671' ' ' GLN . . . . . . . . . . . . . 58.5 mt-30 -63.64 -46.06 87.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.941 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 672' ' ' TYR . . . . . 0.657 ' C ' ' CD1' ' A' ' 672' ' ' TYR . 0.1 OUTLIER -65.23 -34.9 79.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 -179.851 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 673' ' ' ILE . . . . . 0.633 HD13 HG21 ' A' ' 703' ' ' ILE . 75.2 mt -74.86 -37.36 41.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.093 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 674' ' ' GLN . . . . . 0.484 ' CG ' HD22 ' A' ' 704' ' ' LEU . 9.3 mt-30 -74.6 -45.06 47.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.951 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 675' ' ' LYS . . . . . . . . . . . . . 31.2 mttm -76.58 -68.55 0.58 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 676' ' ' ASN . . . . . . . . . . . . . 5.8 m-80 -97.34 175.22 6.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.899 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 4.4 p -140.61 175.36 9.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.179 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 678' ' ' ILE . . . . . . . . . . . . . 23.6 mt -94.88 143.28 12.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.149 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 28.2 m -117.73 111.16 18.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.14 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 680' ' ' LEU . . . . . 0.673 HD23 ' O ' ' A' ' 680' ' ' LEU . 4.8 tt -115.48 109.71 18.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.999 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 681' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -101.0 144.62 29.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 682' ' ' VAL . . . . . 0.477 HG22 ' SG ' ' A' ' 633' ' ' CYS . 92.7 t -119.44 112.19 36.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.131 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 683' ' ' HIS . . . . . 0.712 ' CD2' ' CZ ' ' A' ' 632' ' ' PHE . 4.8 p-80 -105.36 163.51 12.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 684' ' ' GLN . . . . . 0.54 ' HA ' HG22 ' A' ' 631' ' ' THR . 33.5 tt0 -100.26 152.58 20.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.958 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -96.64 123.52 40.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.045 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 686' ' ' TYR . . . . . 0.53 ' CE1' ' HB3' ' A' ' 684' ' ' GLN . 9.5 m-85 -116.34 168.41 10.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.962 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 687' ' ' SER . . . . . . . . . . . . . 32.8 p -38.52 -69.7 0.12 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.858 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 688' ' ' THR . . . . . . . . . . . . . 63.6 p -134.1 27.53 3.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.094 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 689' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -141.48 169.4 17.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.908 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 690' ' ' TYR . . . . . . . . . . . . . 37.4 m-85 -153.78 140.74 19.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 691' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -149.59 149.74 31.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.906 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 692' ' ' THR . . . . . . . . . . . . . 31.0 m -92.7 113.81 26.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.14 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 693' ' ' ILE . . . . . 0.547 ' H ' HD13 ' A' ' 693' ' ' ILE . 0.2 OUTLIER -98.57 -16.77 6.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.139 179.923 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -138.07 161.01 37.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.095 179.775 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 695' ' ' ALA . . . . . . . . . . . . . . . -168.97 137.26 2.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.079 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 696' ' ' CYS . . . . . . . . . . . . . 18.0 p -151.33 178.7 9.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 697' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -131.66 116.42 17.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.931 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 698' ' ' LEU . . . . . 0.633 HD22 ' CE2' ' A' ' 731' ' ' TYR . 27.6 mt -74.89 138.02 42.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 699' ' ' LYS . . . . . . . . . . . . . 7.8 ptpp? -154.31 133.28 12.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.849 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 700' ' ' PHE . . . . . 0.578 ' CD1' ' CE1' ' A' ' 733' ' ' PHE . 3.3 m-85 -110.97 124.64 52.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.868 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 701' ' ' HIS . . . . . . . . . . . . . 40.9 m-70 -88.9 -47.08 8.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.86 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 702' ' ' GLU . . . . . 0.584 ' HB2' HG21 ' A' ' 710' ' ' ILE . 2.1 mp0 -53.38 -43.48 67.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.885 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 703' ' ' ILE . . . . . 0.633 HG21 HD13 ' A' ' 673' ' ' ILE . 13.4 tt -47.96 -18.46 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.15 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 704' ' ' LEU . . . . . 0.484 HD22 ' CG ' ' A' ' 674' ' ' GLN . 50.6 mt -76.29 -47.09 24.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.942 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 705' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -98.42 -48.9 4.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.914 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 706' ' ' LYS . . . . . 0.407 ' N ' ' O ' ' A' ' 702' ' ' GLU . 46.5 mttm -88.09 169.79 11.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.937 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 707' ' ' SER . . . . . . . . . . . . . 11.1 t -146.54 133.53 20.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.832 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 708' ' ' GLY . . . . . . . . . . . . . . . 113.39 -147.38 18.58 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.445 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 709' ' ' ARG . . . . . 0.437 ' C ' HG13 ' A' ' 710' ' ' ILE . 8.4 ptp180 -67.87 126.28 28.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.779 0.323 . . . . 0.0 110.866 -179.859 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 710' ' ' ILE . . . . . 0.584 HG21 ' HB2' ' A' ' 702' ' ' GLU . 49.5 mt -145.08 132.54 16.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.099 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 711' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -84.69 132.64 34.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 712' ' ' CYS . . . . . . . . . . . . . 13.6 t -162.35 165.13 26.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 713' ' ' THR . . . . . . . . . . . . . 34.8 p -145.56 168.82 19.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.134 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 714' ' ' ALA . . . . . 0.526 ' HB3' ' CG1' ' A' ' 729' ' ' VAL . . . -139.13 146.37 40.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.131 179.863 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 715' ' ' SER . . . . . . . . . . . . . 3.2 t -90.45 151.58 21.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.831 -179.74 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 716' ' ' LEU . . . . . . . . . . . . . 9.0 mt -118.9 143.3 47.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.898 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 717' ' ' ILE . . . . . . . . . . . . . 5.1 mp -129.31 147.9 33.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.118 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 718' ' ' GLY . . . . . . . . . . . . . . . -80.06 145.59 27.18 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.466 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 719' ' ' THR . . . . . . . . . . . . . 40.2 p -79.56 -57.54 3.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.86 0.362 . . . . 0.0 111.165 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 720' ' ' LYS . . . . . . . . . . . . . 22.7 mtmt -83.04 -47.88 11.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.93 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 721' ' ' GLY . . . . . . . . . . . . . . . -68.97 -27.67 73.7 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.515 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 722' ' ' ASP . . . . . . . . . . . . . 32.9 m-20 60.79 38.92 17.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.789 0.328 . . . . 0.0 110.882 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 723' ' ' ILE . . . . . . . . . . . . . 34.1 mt -90.0 116.61 66.78 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.673 0.749 . . . . 0.0 111.121 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 724' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 -33.81 15.73 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.645 2.23 . . . . 0.0 112.348 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 725' ' ' ASN . . . . . . . . . . . . . 76.1 m-20 -93.82 45.77 1.16 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 726' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -66.78 -44.14 82.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.854 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 727' ' ' GLY . . . . . . . . . . . . . . . 160.57 164.6 15.84 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.537 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 728' ' ' THR . . . . . . . . . . . . . 8.6 m -114.99 146.53 41.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.846 0.355 . . . . 0.0 111.167 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 729' ' ' VAL . . . . . 0.526 ' CG1' ' HB3' ' A' ' 714' ' ' ALA . 14.2 p -105.62 142.46 18.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.124 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -115.89 127.83 55.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.875 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 731' ' ' TYR . . . . . 0.633 ' CE2' HD22 ' A' ' 698' ' ' LEU . 3.1 p90 -157.6 174.56 15.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.949 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 732' ' ' TRP . . . . . 0.455 ' HE1' ' CD2' ' A' ' 610' ' ' HIS . 45.7 p-90 -155.21 123.67 5.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.91 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 733' ' ' PHE . . . . . 0.578 ' CE1' ' CD1' ' A' ' 700' ' ' PHE . 13.0 p90 -102.19 157.85 16.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.914 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 734' ' ' ARG . . . . . . . . . . . . . 24.7 ttp180 -144.79 117.47 8.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.863 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 735' ' ' LEU . . . . . . . . . . . . . 45.7 tp -116.21 104.77 11.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.95 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 736' ' ' ARG . . . . . . . . . . . . . 34.8 ttm180 -147.89 153.27 38.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 737' ' ' VAL . . . . . . . . . . . . . 10.0 p -47.36 151.21 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.154 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 738' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.843 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 604' ' ' GLU . . . . . 0.787 ' HG3' HD11 ' A' ' 662' ' ' LEU . 3.0 tp10 . . . . . 0 C--O 1.23 0.055 0 CA-C-O 120.855 0.359 . . . . 0.0 110.874 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 605' ' ' ASN . . . . . 0.451 ' ND2' ' OD1' ' A' ' 666' ' ' ASN . 90.8 m-20 -130.88 156.36 45.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.908 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 606' ' ' LEU . . . . . 0.549 HD23 ' O ' ' A' ' 606' ' ' LEU . 6.5 tt -126.49 114.68 18.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 607' ' ' PHE . . . . . 0.757 ' CD1' HD21 ' A' ' 735' ' ' LEU . 42.8 t80 -95.94 131.6 42.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.892 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 608' ' ' GLU . . . . . 0.449 ' OE2' ' CZ3' ' A' ' 732' ' ' TRP . 1.2 pp20? -141.18 139.03 33.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.863 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 609' ' ' ILE . . . . . 0.568 HD11 ' HE2' ' A' ' 607' ' ' PHE . 88.6 mt -119.96 125.77 74.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.13 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 610' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -125.44 106.52 9.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.842 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 44.0 mm -83.31 112.72 21.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.152 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 612' ' ' ASN . . . . . . . . . . . . . 66.5 m-80 -67.13 -67.44 0.45 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 613' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.91 173.97 9.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.845 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 614' ' ' VAL . . . . . 0.64 HG22 HG23 ' A' ' 729' ' ' VAL . 87.3 t -128.15 136.32 60.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.142 179.849 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 615' ' ' THR . . . . . . . . . . . . . 26.1 m -107.78 143.16 36.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.178 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 616' ' ' PHE . . . . . 0.481 ' CD1' HG11 ' A' ' 620' ' ' VAL . 46.2 m-85 -117.46 155.23 30.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.91 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 617' ' ' SER . . . . . 0.449 ' CB ' ' O ' ' A' ' 725' ' ' ASN . 1.0 OUTLIER -99.94 154.22 18.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 -179.821 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 618' ' ' SER . . . . . 0.564 ' HA ' HD12 ' A' ' 621' ' ' LEU . 32.4 m -34.14 -61.92 0.34 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.836 -179.846 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 619' ' ' GLU . . . . . . . . . . . . . 6.0 mp0 -39.3 -43.69 1.18 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.87 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 620' ' ' VAL . . . . . 0.481 HG11 ' CD1' ' A' ' 616' ' ' PHE . 10.1 t -79.03 -38.61 20.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.121 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 621' ' ' LEU . . . . . 0.564 HD12 ' HA ' ' A' ' 618' ' ' SER . 69.8 mt -57.69 -49.2 77.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.928 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 622' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -65.08 -47.25 77.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -44.78 -45.35 9.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.102 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 60.0 p -60.54 -48.91 79.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.848 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 625' ' ' GLY . . . . . . . . . . . . . . . 95.14 -152.65 20.52 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.479 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 626' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -91.41 45.93 1.27 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.873 0.368 . . . . 0.0 110.872 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 10.2 ptpp? -142.66 172.64 12.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.935 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 628' ' ' GLU . . . . . 0.43 ' HA ' ' HD2' ' A' ' 629' ' ' PRO . 7.2 mp0 -113.32 93.13 25.12 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.595 0.712 . . . . 0.0 110.896 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 629' ' ' PRO . . . . . 0.43 ' HD2' ' HA ' ' A' ' 628' ' ' GLU . 54.0 Cg_endo -69.77 110.0 2.45 Favored 'Trans proline' 0 N--CA 1.465 -0.162 0 C-N-CA 122.695 2.263 . . . . 0.0 112.386 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 630' ' ' VAL . . . . . 0.757 HG22 ' HB3' ' A' ' 649' ' ' ARG . 13.2 t -74.42 133.45 31.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.153 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 631' ' ' THR . . . . . 0.777 HG22 ' HA ' ' A' ' 684' ' ' GLN . 43.9 p -142.12 162.56 35.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.114 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 632' ' ' PHE . . . . . 0.539 ' CE2' ' NE2' ' A' ' 683' ' ' HIS . 43.0 p90 -149.22 140.99 23.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.914 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 633' ' ' CYS . . . . . . . . . . . . . 73.6 m -89.77 155.26 19.31 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.907 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 634' ' ' THR . . . . . 0.424 ' HB ' HD11 ' A' ' 642' ' ' LEU . 45.6 p -146.43 122.82 10.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.124 -179.847 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 635' ' ' TYR . . . . . 0.404 ' O ' HD13 ' A' ' 642' ' ' LEU . 4.5 p90 -145.42 158.34 43.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 636' ' ' ALA . . . . . 0.711 ' HB2' HD22 ' A' ' 642' ' ' LEU . . . -119.47 158.39 26.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.073 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 637' ' ' PHE . . . . . 0.534 ' O ' ' C ' ' A' ' 638' ' ' TYR . 2.3 t80 -119.07 157.81 27.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 638' ' ' TYR . . . . . 0.609 ' O ' ' CD2' ' A' ' 640' ' ' PHE . 2.2 m-85 -25.96 108.71 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.935 -179.864 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 639' ' ' ASP . . . . . 0.446 ' C ' ' O ' ' A' ' 638' ' ' TYR . 2.4 m-20 34.78 54.07 0.67 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.819 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 640' ' ' PHE . . . . . 0.609 ' CD2' ' O ' ' A' ' 638' ' ' TYR . 20.0 m-85 -126.31 176.29 7.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.874 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -81.13 133.73 35.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.884 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 642' ' ' LEU . . . . . 0.711 HD22 ' HB2' ' A' ' 636' ' ' ALA . 0.2 OUTLIER -55.58 110.47 0.71 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 643' ' ' GLN . . . . . . . . . . . . . 7.0 tp-100 -81.26 115.78 20.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.961 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 644' ' ' THR . . . . . . . . . . . . . 92.9 m -96.07 113.22 24.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.124 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 645' ' ' THR . . . . . . . . . . . . . 2.6 p -60.54 157.54 36.04 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.539 0.685 . . . . 0.0 111.154 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 646' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 139.64 40.77 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.676 2.25 . . . . 0.0 112.366 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 647' ' ' VAL . . . . . 0.414 ' CG1' HG11 ' A' ' 630' ' ' VAL . 88.9 t -68.7 132.27 33.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.115 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 8.4 m -144.74 125.86 8.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.059 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 649' ' ' ARG . . . . . 0.757 ' HB3' HG22 ' A' ' 630' ' ' VAL . 11.0 ptm180 -90.84 153.13 20.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.82 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 650' ' ' GLY . . . . . . . . . . . . . . . 123.78 -176.52 16.79 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.529 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 651' ' ' LEU . . . . . 0.441 ' HA ' HD13 ' A' ' 651' ' ' LEU . 3.4 mm? -96.32 -58.79 1.98 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.845 0.355 . . . . 0.0 110.939 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 652' ' ' HIS . . . . . . . . . . . . . 8.5 m80 -111.0 69.29 0.64 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.587 0.708 . . . . 0.0 110.897 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 653' ' ' PRO . . . . . 0.408 ' HD3' ' C ' ' A' ' 651' ' ' LEU . 53.6 Cg_endo -69.79 170.05 17.53 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.683 2.255 . . . . 0.0 112.31 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 654' ' ' GLU . . . . . 0.441 ' O ' ' C ' ' A' ' 655' ' ' TYR . 29.4 mt-10 -126.3 70.5 1.24 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 655' ' ' TYR . . . . . 0.441 ' C ' ' O ' ' A' ' 654' ' ' GLU . 80.9 m-85 -34.36 -54.38 0.52 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.972 -179.862 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 31.4 m-20 50.27 35.05 9.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.91 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 657' ' ' PHE . . . . . 0.444 ' CZ ' ' HB3' ' A' ' 659' ' ' SER . 4.3 t80 -98.83 120.26 38.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 7.3 m -120.14 120.91 37.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.12 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 659' ' ' SER . . . . . 0.444 ' HB3' ' CZ ' ' A' ' 657' ' ' PHE . 24.7 p -102.82 164.32 11.7 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 -179.868 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 -140.53 130.01 24.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.907 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 661' ' ' TYR . . . . . . . . . . . . . 80.2 m-85 -154.7 136.61 14.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.927 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 662' ' ' LEU . . . . . 0.787 HD11 ' HG3' ' A' ' 604' ' ' GLU . 1.1 tm? -94.98 121.82 36.98 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.939 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 663' ' ' VAL . . . . . 0.592 ' N ' HD13 ' A' ' 662' ' ' LEU . 30.4 m -128.16 137.83 56.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.11 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 664' ' ' HIS . . . . . . . . . . . . . 7.4 p-80 -101.8 100.62 10.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.85 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 665' ' ' VAL . . . . . 0.572 HG13 ' HB2' ' A' ' 669' ' ' PHE . 10.6 p -175.23 140.88 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.109 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 666' ' ' ASN . . . . . 0.451 ' OD1' ' ND2' ' A' ' 605' ' ' ASN . 71.5 m-20 -131.71 -56.9 1.0 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 667' ' ' ASP . . . . . . . . . . . . . 36.3 m-20 -63.33 -57.16 11.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.897 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 668' ' ' LEU . . . . . 0.437 HD13 ' CD ' ' A' ' 671' ' ' GLN . 3.9 mm? -66.49 -16.56 64.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 669' ' ' PHE . . . . . 0.572 ' HB2' HG13 ' A' ' 665' ' ' VAL . 9.0 t80 -74.87 -33.87 62.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.898 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 670' ' ' LEU . . . . . . . . . . . . . 42.8 mt -85.0 -66.2 0.92 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.913 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 671' ' ' GLN . . . . . 0.438 ' CG ' ' N ' ' A' ' 672' ' ' TYR . 17.9 pt20 -39.6 -53.65 2.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 672' ' ' TYR . . . . . 0.525 ' O ' ' N ' ' A' ' 676' ' ' ASN . 4.7 t80 -47.21 -52.65 15.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.933 -179.876 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 673' ' ' ILE . . . . . . . . . . . . . 25.2 mt -68.65 -30.5 47.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.131 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 674' ' ' GLN . . . . . 0.491 ' CG ' HD22 ' A' ' 704' ' ' LEU . 8.6 mt-30 -64.53 -48.32 75.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.875 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 675' ' ' LYS . . . . . 0.406 ' HG2' ' O ' ' A' ' 671' ' ' GLN . 0.0 OUTLIER -100.12 -53.06 3.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.911 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 676' ' ' ASN . . . . . 0.525 ' N ' ' O ' ' A' ' 672' ' ' TYR . 34.9 m-20 -84.35 157.84 21.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.864 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 44.8 p -140.96 170.64 15.35 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.089 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 678' ' ' ILE . . . . . . . . . . . . . 5.2 mp -92.02 118.21 37.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.111 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 679' ' ' THR . . . . . 0.528 HG22 ' CD ' ' A' ' 681' ' ' GLU . 34.5 m -87.36 102.13 14.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.176 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 680' ' ' LEU . . . . . 0.718 HD23 ' O ' ' A' ' 680' ' ' LEU . 7.3 tt -105.38 99.5 9.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.932 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 681' ' ' GLU . . . . . 0.528 ' CD ' HG22 ' A' ' 679' ' ' THR . 3.9 mp0 -94.21 137.38 33.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.865 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 682' ' ' VAL . . . . . . . . . . . . . 55.7 t -108.23 144.48 16.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.142 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 683' ' ' HIS . . . . . 0.539 ' NE2' ' CE2' ' A' ' 632' ' ' PHE . 1.3 p-80 -137.1 139.93 41.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.84 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 684' ' ' GLN . . . . . 0.777 ' HA ' HG22 ' A' ' 631' ' ' THR . 38.1 mt-30 -84.35 127.46 34.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -86.77 102.55 14.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.108 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 686' ' ' TYR . . . . . 0.541 ' CD2' ' O ' ' A' ' 689' ' ' GLU . 2.9 m-85 -81.02 163.38 23.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.934 -179.861 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 687' ' ' SER . . . . . . . . . . . . . 21.0 p -67.45 -5.1 13.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.9 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 688' ' ' THR . . . . . 0.469 HG23 ' H ' ' A' ' 689' ' ' GLU . 0.0 OUTLIER -124.38 -55.31 1.65 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.134 -179.917 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 689' ' ' GLU . . . . . 0.541 ' O ' ' CD2' ' A' ' 686' ' ' TYR . 1.3 tp10 -134.36 -178.4 5.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.869 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 690' ' ' TYR . . . . . 0.42 ' CD1' ' C ' ' A' ' 689' ' ' GLU . 0.5 OUTLIER -139.4 117.14 11.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.916 -179.859 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 691' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -126.67 153.04 45.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.894 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 692' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -70.33 140.62 52.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.151 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 693' ' ' ILE . . . . . 0.534 ' H ' HD13 ' A' ' 693' ' ' ILE . 0.1 OUTLIER -130.81 -4.16 2.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.153 179.912 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -162.29 140.62 8.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.136 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 695' ' ' ALA . . . . . . . . . . . . . . . -132.0 147.78 52.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.12 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 696' ' ' CYS . . . . . . . . . . . . . 14.0 p -168.53 150.27 4.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 697' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -119.22 110.28 16.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.852 -179.814 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 698' ' ' LEU . . . . . 0.715 HD23 ' CE1' ' A' ' 731' ' ' TYR . 4.7 mp -68.68 143.06 54.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 699' ' ' LYS . . . . . . . . . . . . . 10.0 pttp -152.3 129.97 11.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.927 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 700' ' ' PHE . . . . . 0.441 ' CD2' ' CD1' ' A' ' 733' ' ' PHE . 0.2 OUTLIER -101.64 123.99 46.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.892 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 701' ' ' HIS . . . . . . . . . . . . . 2.6 m80 -90.25 -39.35 12.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.887 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 702' ' ' GLU . . . . . 0.883 ' HB2' HG21 ' A' ' 710' ' ' ILE . 5.4 mm-40 -59.43 -38.7 81.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.894 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 703' ' ' ILE . . . . . . . . . . . . . 10.5 tt -52.04 -15.71 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.116 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 704' ' ' LEU . . . . . 0.491 HD22 ' CG ' ' A' ' 674' ' ' GLN . 36.3 mt -83.34 -41.62 18.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.916 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 705' ' ' GLU . . . . . . . . . . . . . 64.2 mm-40 -96.66 -57.77 2.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.889 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 706' ' ' LYS . . . . . . . . . . . . . 13.1 mttp -90.6 178.34 6.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.961 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 707' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -155.95 123.8 5.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.866 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 708' ' ' GLY . . . . . . . . . . . . . . . 120.57 -145.27 17.39 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.486 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 709' ' ' ARG . . . . . . . . . . . . . 4.6 mtp180 -51.97 99.42 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.794 0.331 . . . . 0.0 110.868 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 710' ' ' ILE . . . . . 0.883 HG21 ' HB2' ' A' ' 702' ' ' GLU . 22.6 mt -137.35 131.45 44.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.156 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 711' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -97.0 142.88 28.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 712' ' ' CYS . . . . . . . . . . . . . 4.8 m -155.36 164.33 38.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.949 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 713' ' ' THR . . . . . . . . . . . . . 21.6 p -140.23 170.28 16.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.162 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 714' ' ' ALA . . . . . 0.748 ' HB3' ' CG1' ' A' ' 729' ' ' VAL . . . -144.78 143.65 30.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.13 179.838 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 715' ' ' SER . . . . . . . . . . . . . 75.6 m -87.03 161.83 17.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.835 -179.754 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 716' ' ' LEU . . . . . . . . . . . . . 11.5 mt -130.38 144.88 51.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.919 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 717' ' ' ILE . . . . . . . . . . . . . 5.3 mp -135.85 114.5 15.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.156 179.813 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 718' ' ' GLY . . . . . . . . . . . . . . . -55.0 146.09 28.76 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.467 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 719' ' ' THR . . . . . . . . . . . . . 27.9 p -91.81 -63.79 1.2 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.9 0.381 . . . . 0.0 111.153 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 720' ' ' LYS . . . . . 0.466 ' N ' ' HE3' ' A' ' 720' ' ' LYS . 0.1 OUTLIER -75.53 48.61 0.45 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 179.891 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 721' ' ' GLY . . . . . . . . . . . . . . . 178.52 -29.04 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.511 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 722' ' ' ASP . . . . . . . . . . . . . 24.8 t70 68.41 45.07 1.21 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.768 0.318 . . . . 0.0 110.918 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 723' ' ' ILE . . . . . 0.419 ' HA ' ' HD2' ' A' ' 724' ' ' PRO . 69.7 mt -94.92 106.68 26.5 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.608 0.718 . . . . 0.0 111.144 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 724' ' ' PRO . . . . . 0.419 ' HD2' ' HA ' ' A' ' 723' ' ' ILE . 53.6 Cg_endo -69.75 -35.28 12.95 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.69 2.26 . . . . 0.0 112.363 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 725' ' ' ASN . . . . . 0.449 ' O ' ' CB ' ' A' ' 617' ' ' SER . 36.2 m-20 -84.09 34.66 0.51 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.919 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 726' ' ' PHE . . . . . 0.404 ' CE1' HG22 ' A' ' 620' ' ' VAL . 8.3 t80 -60.89 -38.84 87.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.904 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 727' ' ' GLY . . . . . . . . . . . . . . . 142.95 173.24 14.47 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.462 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 728' ' ' THR . . . . . . . . . . . . . 3.3 m -119.77 144.78 47.1 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.845 0.355 . . . . 0.0 111.137 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 729' ' ' VAL . . . . . 0.748 ' CG1' ' HB3' ' A' ' 714' ' ' ALA . 9.1 p -103.07 134.46 44.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.08 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -107.35 139.97 41.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 731' ' ' TYR . . . . . 0.715 ' CE1' HD23 ' A' ' 698' ' ' LEU . 42.1 p90 -155.14 177.47 11.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.928 -179.876 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 732' ' ' TRP . . . . . 0.592 ' CZ2' ' HB2' ' A' ' 734' ' ' ARG . 26.8 t90 -147.88 129.29 14.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.975 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 733' ' ' PHE . . . . . 0.441 ' CD1' ' CD2' ' A' ' 700' ' ' PHE . 18.5 p90 -126.54 150.93 48.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.865 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 734' ' ' ARG . . . . . 0.592 ' HB2' ' CZ2' ' A' ' 732' ' ' TRP . 58.9 ttt180 -148.99 111.97 4.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 735' ' ' LEU . . . . . 0.757 HD21 ' CD1' ' A' ' 607' ' ' PHE . 3.6 mm? -103.55 108.34 19.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.958 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 736' ' ' ARG . . . . . . . . . . . . . 9.3 tpp85 -139.56 135.94 33.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 737' ' ' VAL . . . . . . . . . . . . . 7.9 p -47.49 131.94 4.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.135 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 738' ' ' SER . . . . . . . . . . . . . 24.8 t . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.887 -179.828 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 604' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.797 0.332 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 605' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -121.13 173.83 7.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.848 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 606' ' ' LEU . . . . . . . . . . . . . 8.3 tp -140.6 139.28 34.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.905 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 607' ' ' PHE . . . . . 0.535 ' CG ' ' CZ ' ' A' ' 637' ' ' PHE . 8.0 t80 -139.52 139.46 36.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 608' ' ' GLU . . . . . 0.412 ' C ' HG13 ' A' ' 609' ' ' ILE . 1.5 pm0 -150.2 168.27 24.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.902 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 609' ' ' ILE . . . . . 0.412 HG13 ' C ' ' A' ' 608' ' ' GLU . 79.5 mt -147.11 134.39 14.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.107 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 610' ' ' HIS . . . . . 0.47 ' HB3' ' NE1' ' A' ' 732' ' ' TRP . 73.7 t60 -131.05 138.5 49.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.834 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 41.9 mm -107.69 133.17 53.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.161 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 612' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -84.59 -64.62 1.13 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 613' ' ' LYS . . . . . . . . . . . . . 2.1 pttm -167.89 163.59 13.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.912 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 614' ' ' VAL . . . . . . . . . . . . . 92.7 t -122.71 121.74 64.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.13 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 615' ' ' THR . . . . . 0.492 HG22 ' N ' ' A' ' 616' ' ' PHE . 14.0 m -89.4 161.21 16.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.144 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 616' ' ' PHE . . . . . 0.567 ' HB3' HG21 ' A' ' 620' ' ' VAL . 23.8 m-85 -135.79 146.59 47.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 1.1 t -90.54 171.65 9.26 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.859 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 618' ' ' SER . . . . . . . . . . . . . 66.1 m -63.09 -20.32 65.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.842 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 619' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -63.16 -66.61 0.52 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.878 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 620' ' ' VAL . . . . . 0.567 HG21 ' HB3' ' A' ' 616' ' ' PHE . 35.9 m -52.04 -27.54 9.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.107 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 621' ' ' LEU . . . . . . . . . . . . . 80.4 mt -72.07 -61.61 1.73 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.954 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 622' ' ' GLN . . . . . . . . . . . . . 58.4 mm-40 -48.62 -46.07 39.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.912 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -66.21 -38.14 87.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.03 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 19.4 m -66.93 -65.42 0.68 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.84 -179.75 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 625' ' ' GLY . . . . . . . . . . . . . . . 132.97 -166.95 23.5 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.47 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 626' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -93.76 44.12 1.12 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.874 0.368 . . . . 0.0 110.868 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 17.9 mtpt -139.78 110.74 6.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 26.4 mp0 -38.65 100.2 0.2 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.629 0.728 . . . . 0.0 110.88 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 629' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 111.06 2.71 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.695 2.263 . . . . 0.0 112.366 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 630' ' ' VAL . . . . . 0.583 HG12 ' CG2' ' A' ' 647' ' ' VAL . 11.7 t -81.91 112.09 19.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.148 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 631' ' ' THR . . . . . 0.62 HG22 ' HA ' ' A' ' 684' ' ' GLN . 14.4 p -133.3 167.09 21.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.146 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 632' ' ' PHE . . . . . 0.641 ' CE1' ' NE2' ' A' ' 683' ' ' HIS . 42.9 p90 -144.46 158.56 43.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 633' ' ' CYS . . . . . 0.598 ' O ' HG23 ' A' ' 645' ' ' THR . 0.8 OUTLIER -105.69 158.9 16.39 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 -179.895 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 634' ' ' THR . . . . . . . . . . . . . 65.9 p -149.05 146.61 27.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.128 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 635' ' ' TYR . . . . . . . . . . . . . 43.6 p90 -174.85 146.3 0.91 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.931 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 636' ' ' ALA . . . . . . . . . . . . . . . -112.7 159.82 18.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.057 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 637' ' ' PHE . . . . . 0.535 ' CZ ' ' CG ' ' A' ' 607' ' ' PHE . 48.8 t80 -120.57 145.28 47.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.851 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 638' ' ' TYR . . . . . 0.517 ' HB3' ' CD2' ' A' ' 640' ' ' PHE . 2.6 t80 41.66 32.47 0.25 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 639' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 59.65 42.42 17.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.907 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 640' ' ' PHE . . . . . 0.517 ' CD2' ' HB3' ' A' ' 638' ' ' TYR . 16.6 m-85 -103.46 -179.69 4.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.923 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 2.0 pm0 -41.64 129.22 3.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.905 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 642' ' ' LEU . . . . . 0.623 HD13 ' C ' ' A' ' 642' ' ' LEU . 0.8 OUTLIER -64.9 109.63 2.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.927 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 643' ' ' GLN . . . . . 0.544 ' N ' HD13 ' A' ' 642' ' ' LEU . 2.7 tp60 -84.09 117.27 23.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 644' ' ' THR . . . . . . . . . . . . . 95.9 m -92.71 122.45 35.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.118 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 645' ' ' THR . . . . . 0.598 HG23 ' O ' ' A' ' 633' ' ' CYS . 11.8 p -71.07 151.58 94.84 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.608 0.718 . . . . 0.0 111.148 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 646' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 115.11 3.93 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.691 2.261 . . . . 0.0 112.369 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 647' ' ' VAL . . . . . 0.583 ' CG2' HG12 ' A' ' 630' ' ' VAL . 7.1 p -68.31 143.37 15.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.123 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 11.3 m -145.63 150.33 15.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.108 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 649' ' ' ARG . . . . . . . . . . . . . 7.1 ptt180 -84.69 126.24 33.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 650' ' ' GLY . . . . . . . . . . . . . . . 144.97 163.77 10.27 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.462 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 651' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -86.75 -49.29 7.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.845 0.355 . . . . 0.0 110.897 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 652' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -118.64 61.83 4.95 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.591 0.71 . . . . 0.0 110.82 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 653' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -176.47 1.5 Allowed 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.694 2.263 . . . . 0.0 112.34 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 72.3 mt-10 -134.83 78.48 1.74 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.872 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 655' ' ' TYR . . . . . . . . . . . . . 18.1 m-85 -45.71 -57.04 4.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.981 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 56.55 47.42 18.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.925 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 657' ' ' PHE . . . . . . . . . . . . . 20.9 t80 -94.86 124.89 39.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.836 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 3.5 m -113.94 148.32 37.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.14 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 7.2 p -152.57 166.18 32.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.832 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 660' ' ' GLN . . . . . 0.529 ' O ' ' CD1' ' A' ' 661' ' ' TYR . 38.2 mt-30 -149.98 146.56 27.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.846 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 661' ' ' TYR . . . . . 0.529 ' CD1' ' O ' ' A' ' 660' ' ' GLN . 21.6 m-85 -149.16 120.79 8.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 662' ' ' LEU . . . . . 0.459 HD13 ' C ' ' A' ' 662' ' ' LEU . 0.7 OUTLIER -80.85 102.65 10.17 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.942 179.928 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 663' ' ' VAL . . . . . . . . . . . . . 17.6 m -124.54 135.06 65.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.182 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 664' ' ' HIS . . . . . . . . . . . . . 51.0 p-80 -108.61 119.39 39.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.852 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 665' ' ' VAL . . . . . 0.592 HG12 ' H ' ' A' ' 666' ' ' ASN . 2.2 t -148.89 170.72 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.125 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 666' ' ' ASN . . . . . 0.592 ' H ' HG12 ' A' ' 665' ' ' VAL . 2.3 m-80 -115.38 -174.5 2.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 667' ' ' ASP . . . . . 0.443 ' C ' ' O ' ' A' ' 666' ' ' ASN . 6.8 m-20 -34.83 -32.01 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 668' ' ' LEU . . . . . 0.501 ' N ' ' O ' ' A' ' 666' ' ' ASN . 4.3 mm? -46.89 -51.32 17.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 669' ' ' PHE . . . . . 0.448 ' C ' ' O ' ' A' ' 668' ' ' LEU . 7.0 t80 -34.44 -32.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 670' ' ' LEU . . . . . 0.5 ' N ' ' O ' ' A' ' 668' ' ' LEU . 69.1 mt -68.91 -61.7 1.69 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.922 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 671' ' ' GLN . . . . . 0.445 ' C ' ' O ' ' A' ' 670' ' ' LEU . 6.7 pt20 -34.81 -44.45 0.22 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 672' ' ' TYR . . . . . 0.433 ' N ' ' CG ' ' A' ' 671' ' ' GLN . 5.0 t80 -57.6 -44.68 85.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.948 -179.853 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 673' ' ' ILE . . . . . 0.721 HD13 HG21 ' A' ' 703' ' ' ILE . 72.5 mt -62.44 -44.28 99.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.129 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 674' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -70.9 -63.77 1.03 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.901 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 675' ' ' LYS . . . . . . . . . . . . . 12.1 mtmm -55.76 -60.87 2.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 676' ' ' ASN . . . . . 0.4 ' O ' ' O ' ' A' ' 672' ' ' TYR . 9.7 m-80 -102.1 167.62 9.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.878 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 38.5 p -140.61 167.26 22.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.089 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 678' ' ' ILE . . . . . . . . . . . . . 16.6 mt -88.2 148.26 4.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.195 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 17.8 m -116.86 123.81 47.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.147 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 680' ' ' LEU . . . . . 0.909 HD23 ' O ' ' A' ' 680' ' ' LEU . 3.8 tt -131.88 98.47 4.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.949 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 681' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -101.03 140.55 35.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 682' ' ' VAL . . . . . . . . . . . . . 60.1 t -110.68 126.92 68.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.156 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 683' ' ' HIS . . . . . 0.641 ' NE2' ' CE1' ' A' ' 632' ' ' PHE . 7.4 p-80 -119.16 153.07 35.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 684' ' ' GLN . . . . . 0.62 ' HA ' HG22 ' A' ' 631' ' ' THR . 44.3 mt-30 -84.64 142.64 29.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.939 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -95.49 112.72 24.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.126 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 686' ' ' TYR . . . . . . . . . . . . . 38.5 m-85 -105.15 167.05 9.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.914 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 687' ' ' SER . . . . . . . . . . . . . 3.6 m -44.06 -65.08 0.55 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.836 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 688' ' ' THR . . . . . . . . . . . . . 11.7 t -132.77 37.83 3.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.154 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 689' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -139.98 166.52 24.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.867 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 690' ' ' TYR . . . . . . . . . . . . . 90.0 m-85 -154.1 117.18 4.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.875 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 691' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -147.34 147.29 30.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.841 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 692' ' ' THR . . . . . 0.548 ' HB ' HG21 ' A' ' 719' ' ' THR . 0.6 OUTLIER -93.2 145.8 24.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.153 -179.954 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 693' ' ' ILE . . . . . 0.435 HD13 ' HZ ' ' A' ' 726' ' ' PHE . 1.4 pp -134.42 1.3 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.155 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 694' ' ' ALA . . . . . 0.908 ' N ' HG23 ' A' ' 719' ' ' THR . . . -148.32 144.69 27.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.109 179.824 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 695' ' ' ALA . . . . . . . . . . . . . . . -157.53 139.93 14.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.082 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 696' ' ' CYS . . . . . . . . . . . . . 21.3 p -154.74 166.65 32.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 697' ' ' GLN . . . . . . . . . . . . . 64.3 mm-40 -117.07 110.11 17.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.923 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 698' ' ' LEU . . . . . . . . . . . . . 13.9 mt -75.56 133.8 40.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.934 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 699' ' ' LYS . . . . . . . . . . . . . 6.6 pttt -153.85 124.02 6.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.848 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 700' ' ' PHE . . . . . 0.63 ' O ' HG22 ' A' ' 703' ' ' ILE . 1.5 m-85 -99.23 125.27 44.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 701' ' ' HIS . . . . . . . . . . . . . 70.3 m-70 -89.3 -45.16 9.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.856 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 702' ' ' GLU . . . . . 0.515 ' CB ' HG21 ' A' ' 710' ' ' ILE . 6.5 mt-10 -56.81 -31.11 64.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 703' ' ' ILE . . . . . 0.721 HG21 HD13 ' A' ' 673' ' ' ILE . 10.9 tt -57.03 -11.65 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.137 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 704' ' ' LEU . . . . . . . . . . . . . 20.9 mt -86.92 -48.24 8.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 705' ' ' GLU . . . . . 0.477 ' CG ' ' HG2' ' A' ' 706' ' ' LYS . 15.3 pt-20 -79.66 -44.95 19.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.908 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 706' ' ' LYS . . . . . 0.477 ' HG2' ' CG ' ' A' ' 705' ' ' GLU . 13.9 ptpt -120.48 175.19 6.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 707' ' ' SER . . . . . 0.459 ' N ' HD11 ' A' ' 710' ' ' ILE . 1.1 t -152.07 137.4 17.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.845 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 708' ' ' GLY . . . . . 0.403 ' O ' ' O ' ' A' ' 733' ' ' PHE . . . 109.82 -112.69 3.42 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.487 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 709' ' ' ARG . . . . . . . . . . . . . 5.8 tmm_? -69.94 84.09 0.49 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.788 0.327 . . . . 0.0 110.894 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 710' ' ' ILE . . . . . 0.515 HG21 ' CB ' ' A' ' 702' ' ' GLU . 12.0 mt -136.97 139.33 44.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.157 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 711' ' ' PHE . . . . . . . . . . . . . 46.7 m-85 -119.48 147.98 43.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 712' ' ' CYS . . . . . . . . . . . . . 5.3 t -163.37 162.82 25.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 713' ' ' THR . . . . . . . . . . . . . 28.6 p -130.14 170.75 13.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.095 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 714' ' ' ALA . . . . . . . . . . . . . . . -146.66 136.77 23.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.105 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 715' ' ' SER . . . . . . . . . . . . . 11.9 t -78.04 140.73 39.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.813 -179.745 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 716' ' ' LEU . . . . . 0.64 ' C ' HD12 ' A' ' 717' ' ' ILE . 7.3 mt -108.81 139.96 42.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.898 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 717' ' ' ILE . . . . . 0.64 HD12 ' C ' ' A' ' 716' ' ' LEU . 4.2 mp -136.02 142.99 37.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.102 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 718' ' ' GLY . . . . . 0.477 ' O ' ' N ' ' A' ' 721' ' ' GLY . . . -40.9 144.84 0.53 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.492 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 719' ' ' THR . . . . . 0.908 HG23 ' N ' ' A' ' 694' ' ' ALA . 0.8 OUTLIER -43.42 -39.07 3.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.81 0.338 . . . . 0.0 111.123 -179.835 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 720' ' ' LYS . . . . . 0.475 ' HD3' ' N ' ' A' ' 720' ' ' LYS . 0.0 OUTLIER -83.55 25.5 0.75 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.883 179.902 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 721' ' ' GLY . . . . . 0.477 ' N ' ' O ' ' A' ' 718' ' ' GLY . . . 33.74 53.39 0.65 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.49 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 722' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -131.01 -30.32 1.79 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.808 0.337 . . . . 0.0 110.854 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 723' ' ' ILE . . . . . 0.491 ' O ' HG23 ' A' ' 717' ' ' ILE . 77.4 mt -97.42 103.31 15.51 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.589 0.709 . . . . 0.0 111.118 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 724' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 723' ' ' ILE . 53.7 Cg_endo -69.74 -52.6 0.32 Allowed 'Trans proline' 0 N--CA 1.466 -0.145 0 C-N-CA 122.709 2.273 . . . . 0.0 112.356 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 725' ' ' ASN . . . . . . . . . . . . . 22.4 m-20 -73.97 81.21 1.69 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 726' ' ' PHE . . . . . 0.705 ' CZ ' ' HB2' ' A' ' 694' ' ' ALA . 2.3 t80 -114.11 -30.64 6.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.887 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 727' ' ' GLY . . . . . . . . . . . . . . . 140.98 168.33 11.38 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.501 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 728' ' ' THR . . . . . . . . . . . . . 24.6 m -116.03 148.84 39.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.843 0.354 . . . . 0.0 111.14 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 729' ' ' VAL . . . . . 0.419 ' O ' HG13 ' A' ' 729' ' ' VAL . 10.3 p -109.95 129.6 64.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.143 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -113.13 110.51 20.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 731' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -137.75 168.39 19.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.959 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 732' ' ' TRP . . . . . 0.47 ' NE1' ' HB3' ' A' ' 610' ' ' HIS . 48.6 p-90 -142.92 125.29 15.6 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.959 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 733' ' ' PHE . . . . . 0.626 ' CD1' ' CD2' ' A' ' 700' ' ' PHE . 49.4 p90 -110.5 165.07 12.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.884 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 734' ' ' ARG . . . . . 0.415 ' C ' ' HD3' ' A' ' 734' ' ' ARG . 0.4 OUTLIER -161.18 124.08 3.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 -179.896 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 735' ' ' LEU . . . . . . . . . . . . . 8.2 tp -131.19 104.7 7.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.939 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 736' ' ' ARG . . . . . 0.444 ' O ' ' C ' ' A' ' 737' ' ' VAL . 3.7 tpt180 -144.15 135.08 25.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.847 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 737' ' ' VAL . . . . . 0.444 ' C ' ' O ' ' A' ' 736' ' ' ARG . 4.0 p -33.75 134.39 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.121 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 738' ' ' SER . . . . . . . . . . . . . 11.7 p . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.865 -179.862 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 604' ' ' GLU . . . . . 0.584 ' CD ' HD11 ' A' ' 662' ' ' LEU . 4.8 tt0 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.843 0.354 . . . . 0.0 110.923 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 605' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -134.48 130.5 36.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 606' ' ' LEU . . . . . 0.55 HD23 ' C ' ' A' ' 606' ' ' LEU . 6.6 tt -129.02 146.04 51.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 607' ' ' PHE . . . . . 0.459 ' N ' HD23 ' A' ' 606' ' ' LEU . 9.3 t80 -120.76 134.96 55.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 608' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -148.04 129.94 15.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.886 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 609' ' ' ILE . . . . . . . . . . . . . 59.5 mt -111.44 140.94 28.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.149 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 610' ' ' HIS . . . . . 0.569 ' CE1' ' HA ' ' A' ' 656' ' ' ASN . 8.5 t-80 -131.23 113.16 13.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.876 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 49.7 mm -79.32 106.52 10.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.158 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 612' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -60.86 -65.46 0.69 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 613' ' ' LYS . . . . . . . . . . . . . 16.0 ptmt -163.96 178.59 7.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.923 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 614' ' ' VAL . . . . . . . . . . . . . 79.1 t -129.24 117.91 44.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.11 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 615' ' ' THR . . . . . . . . . . . . . 66.2 m -93.71 133.5 37.0 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.173 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 616' ' ' PHE . . . . . 0.471 ' CD1' HG11 ' A' ' 620' ' ' VAL . 47.3 m-85 -101.63 166.01 10.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.847 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 617' ' ' SER . . . . . 0.495 ' CB ' ' O ' ' A' ' 725' ' ' ASN . 0.9 OUTLIER -103.71 161.11 14.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.889 -179.82 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 618' ' ' SER . . . . . . . . . . . . . 31.9 p -45.47 -41.43 9.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.813 -179.777 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 619' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -59.39 -43.16 92.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.901 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 620' ' ' VAL . . . . . 0.471 HG11 ' CD1' ' A' ' 616' ' ' PHE . 30.3 t -67.38 -39.34 82.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.146 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 621' ' ' LEU . . . . . 0.474 HD21 ' CE1' ' A' ' 652' ' ' HIS . 39.5 mt -67.06 -47.82 70.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.907 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 622' ' ' GLN . . . . . . . . . . . . . 35.5 mm-40 -70.97 -49.69 42.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.929 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -43.37 -40.94 3.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.096 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 15.5 m -64.63 -46.11 83.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 625' ' ' GLY . . . . . . . . . . . . . . . 91.47 -141.8 15.81 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.503 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 626' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -80.57 41.58 0.56 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.875 0.369 . . . . 0.0 110.835 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 13.3 ptpt -151.01 176.54 11.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.946 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -123.2 123.47 26.63 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.636 0.732 . . . . 0.0 110.882 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 629' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 145.8 58.24 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.725 2.284 . . . . 0.0 112.343 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 630' ' ' VAL . . . . . . . . . . . . . 13.2 t -122.81 112.68 35.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.114 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 631' ' ' THR . . . . . . . . . . . . . 34.4 p -139.07 178.67 7.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.152 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 632' ' ' PHE . . . . . 0.651 ' O ' HG13 ' A' ' 682' ' ' VAL . 35.7 p90 -146.07 174.43 11.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 633' ' ' CYS . . . . . . . . . . . . . 61.6 m -117.16 151.13 37.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 634' ' ' THR . . . . . 0.672 ' HB ' HD11 ' A' ' 642' ' ' LEU . 23.3 p -150.01 124.43 9.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.09 -179.856 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 635' ' ' TYR . . . . . 0.448 ' CD1' HD12 ' A' ' 680' ' ' LEU . 28.8 p90 -152.88 177.74 10.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 636' ' ' ALA . . . . . 0.671 ' HB2' HD22 ' A' ' 642' ' ' LEU . . . -149.4 149.26 30.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.101 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 637' ' ' PHE . . . . . 0.508 ' O ' ' N ' ' A' ' 640' ' ' PHE . 78.1 t80 -115.07 156.04 25.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.91 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 638' ' ' TYR . . . . . 0.477 ' C ' ' O ' ' A' ' 637' ' ' PHE . 12.8 t80 31.6 38.37 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 -179.865 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 639' ' ' ASP . . . . . 0.478 ' N ' ' O ' ' A' ' 637' ' ' PHE . 34.0 t70 58.65 50.27 9.18 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.885 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 640' ' ' PHE . . . . . 0.508 ' N ' ' O ' ' A' ' 637' ' ' PHE . 4.2 m-85 -99.0 173.13 6.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.913 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -56.38 116.63 3.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 642' ' ' LEU . . . . . 0.672 HD11 ' HB ' ' A' ' 634' ' ' THR . 0.4 OUTLIER -50.95 113.11 0.83 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.892 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 643' ' ' GLN . . . . . . . . . . . . . 4.7 tp60 -82.33 147.65 28.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 644' ' ' THR . . . . . . . . . . . . . 28.9 m -116.13 111.37 20.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.12 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 645' ' ' THR . . . . . . . . . . . . . 60.7 p -70.48 153.65 94.92 Favored Pre-proline 0 C--N 1.33 -0.283 0 CA-C-O 121.545 0.688 . . . . 0.0 111.152 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 646' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.7 125.04 11.71 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.648 2.232 . . . . 0.0 112.33 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 647' ' ' VAL . . . . . . . . . . . . . 60.2 t -68.04 122.42 19.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.123 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 39.1 t -121.74 130.88 74.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.07 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 649' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -93.58 135.81 34.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.899 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 650' ' ' GLY . . . . . 0.41 ' O ' ' HG ' ' A' ' 651' ' ' LEU . . . 149.42 -132.57 4.1 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.507 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 651' ' ' LEU . . . . . 0.41 ' HG ' ' O ' ' A' ' 650' ' ' GLY . 7.3 mt -159.78 104.99 1.58 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.826 0.346 . . . . 0.0 110.949 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 652' ' ' HIS . . . . . 0.522 ' N ' ' CD ' ' A' ' 653' ' ' PRO . 9.1 m80 74.76 49.78 0.21 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.583 0.706 . . . . 0.0 110.882 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 653' ' ' PRO . . . . . 0.522 ' CD ' ' N ' ' A' ' 652' ' ' HIS . 53.7 Cg_endo -69.75 174.42 9.52 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.702 2.268 . . . . 0.0 112.351 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 63.9 mt-10 -120.9 80.49 1.64 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.944 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 655' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -51.35 -55.98 15.53 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.915 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 656' ' ' ASN . . . . . 0.569 ' HA ' ' CE1' ' A' ' 610' ' ' HIS . 4.2 m120 60.02 44.2 13.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.903 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 657' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -88.77 151.98 22.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.891 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 55.8 m -134.55 149.08 50.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.147 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 89.3 p -132.25 153.74 50.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.821 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -132.24 130.47 40.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.895 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 661' ' ' TYR . . . . . . . . . . . . . 75.7 m-85 -153.91 122.02 6.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 662' ' ' LEU . . . . . 0.584 HD11 ' CD ' ' A' ' 604' ' ' GLU . 0.3 OUTLIER -89.65 118.01 28.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.932 179.933 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 663' ' ' VAL . . . . . 0.533 HG23 ' O ' ' A' ' 663' ' ' VAL . 28.8 m -133.28 114.25 20.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.124 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 664' ' ' HIS . . . . . 0.56 ' O ' HG13 ' A' ' 665' ' ' VAL . 22.5 p-80 -93.78 98.17 10.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.879 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 665' ' ' VAL . . . . . 0.704 HG23 ' HD2' ' A' ' 669' ' ' PHE . 4.8 m -159.7 152.08 5.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.128 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 666' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -115.82 -66.59 1.07 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 667' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -74.91 -63.23 1.3 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 668' ' ' LEU . . . . . 0.474 ' H ' HD12 ' A' ' 668' ' ' LEU . 9.1 mp -40.39 -38.37 0.81 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.905 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 669' ' ' PHE . . . . . 0.704 ' HD2' HG23 ' A' ' 665' ' ' VAL . 1.9 t80 -47.84 -55.44 9.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.925 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 670' ' ' LEU . . . . . . . . . . . . . 50.9 mt -71.01 -51.18 26.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.898 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 671' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -42.92 -49.96 5.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.918 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 672' ' ' TYR . . . . . 0.44 ' CD1' ' C ' ' A' ' 672' ' ' TYR . 0.9 OUTLIER -59.46 -41.83 90.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.929 -179.885 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 673' ' ' ILE . . . . . 0.589 HD13 HG21 ' A' ' 703' ' ' ILE . 88.7 mt -61.53 -61.07 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.135 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 674' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -58.19 -45.8 86.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.932 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 675' ' ' LYS . . . . . . . . . . . . . 81.5 mttt -67.09 -68.92 0.34 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.938 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 676' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -100.23 151.69 21.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 61.3 p -121.24 168.35 11.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.113 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 678' ' ' ILE . . . . . . . . . . . . . 5.3 mp -87.81 116.47 29.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.118 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 679' ' ' THR . . . . . 0.6 HG22 ' OE1' ' A' ' 681' ' ' GLU . 11.5 m -87.61 104.62 16.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.173 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 680' ' ' LEU . . . . . 0.611 HD23 ' O ' ' A' ' 680' ' ' LEU . 7.0 tt -115.84 108.15 15.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.886 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 681' ' ' GLU . . . . . 0.6 ' OE1' HG22 ' A' ' 679' ' ' THR . 3.0 mp0 -112.28 135.84 52.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 682' ' ' VAL . . . . . 0.651 HG13 ' O ' ' A' ' 632' ' ' PHE . 95.8 t -99.12 99.43 8.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.144 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 683' ' ' HIS . . . . . . . . . . . . . 4.3 m170 -90.86 141.58 28.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.799 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 684' ' ' GLN . . . . . 0.527 ' HB3' ' CZ ' ' A' ' 686' ' ' TYR . 14.9 tt0 -91.23 146.78 23.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -98.36 113.6 25.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.088 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 686' ' ' TYR . . . . . 0.527 ' CZ ' ' HB3' ' A' ' 684' ' ' GLN . 1.0 OUTLIER -107.6 168.78 9.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.959 -179.879 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 687' ' ' SER . . . . . . . . . . . . . 29.2 p -40.33 94.52 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.842 -179.79 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 688' ' ' THR . . . . . 0.452 ' N ' ' O ' ' A' ' 686' ' ' TYR . 69.2 p 50.1 44.03 25.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.171 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 689' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -142.79 165.96 25.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.89 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 690' ' ' TYR . . . . . . . . . . . . . 33.6 m-85 -152.42 121.65 6.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.926 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 691' ' ' GLU . . . . . 0.421 ' HG2' ' N ' ' A' ' 692' ' ' THR . 26.4 tt0 -149.16 153.44 37.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.854 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 692' ' ' THR . . . . . 0.421 ' N ' ' HG2' ' A' ' 691' ' ' GLU . 94.4 m -82.78 140.9 32.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.141 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 693' ' ' ILE . . . . . 0.486 HG13 ' N ' ' A' ' 694' ' ' ALA . 26.1 pt -130.92 -31.31 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.139 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 694' ' ' ALA . . . . . 0.486 ' N ' HG13 ' A' ' 693' ' ' ILE . . . -131.29 139.5 49.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.085 179.804 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 695' ' ' ALA . . . . . . . . . . . . . . . -145.81 136.65 24.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.14 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 696' ' ' CYS . . . . . . . . . . . . . 31.0 p -151.58 155.44 38.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 697' ' ' GLN . . . . . . . . . . . . . 7.0 mm100 -103.79 108.65 20.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.906 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 698' ' ' LEU . . . . . 0.666 HD22 ' CE2' ' A' ' 731' ' ' TYR . 87.8 mt -84.5 128.1 34.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 699' ' ' LYS . . . . . . . . . . . . . 9.7 ptpt -152.79 136.26 15.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 179.809 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 700' ' ' PHE . . . . . 0.717 ' CD1' ' CD1' ' A' ' 733' ' ' PHE . 10.3 m-85 -99.98 125.78 46.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.882 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 701' ' ' HIS . . . . . . . . . . . . . 17.3 m-70 -91.9 -51.16 5.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 702' ' ' GLU . . . . . 0.637 ' CB ' HG21 ' A' ' 710' ' ' ILE . 2.5 mp0 -48.14 -44.74 32.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 703' ' ' ILE . . . . . 0.589 HG21 HD13 ' A' ' 673' ' ' ILE . 12.8 tt -46.01 -25.33 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.163 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 704' ' ' LEU . . . . . . . . . . . . . 38.3 mt -66.3 -40.53 90.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.921 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 705' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -98.09 -58.53 1.96 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.911 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 706' ' ' LYS . . . . . . . . . . . . . 28.2 mtpt -82.63 176.34 9.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.915 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 707' ' ' SER . . . . . . . . . . . . . 58.5 m -149.62 106.41 3.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.824 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 708' ' ' GLY . . . . . . . . . . . . . . . 141.12 -150.0 21.47 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.448 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 709' ' ' ARG . . . . . 0.447 ' C ' HG13 ' A' ' 710' ' ' ILE . 24.3 ptt-85 -65.82 120.36 12.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.805 0.336 . . . . 0.0 110.869 -179.837 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 710' ' ' ILE . . . . . 0.637 HG21 ' CB ' ' A' ' 702' ' ' GLU . 26.7 mt -144.51 106.54 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.118 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 711' ' ' PHE . . . . . . . . . . . . . 17.0 m-85 -57.85 140.97 50.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 712' ' ' CYS . . . . . . . . . . . . . 5.4 t -164.04 166.29 21.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.932 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 713' ' ' THR . . . . . . . . . . . . . 21.3 p -147.38 170.83 16.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.128 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 714' ' ' ALA . . . . . . . . . . . . . . . -145.22 148.63 33.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.126 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 715' ' ' SER . . . . . . . . . . . . . 60.4 p -88.62 156.48 19.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.853 -179.761 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 716' ' ' LEU . . . . . . . . . . . . . 8.9 mt -124.99 139.34 53.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 717' ' ' ILE . . . . . . . . . . . . . 4.9 mp -125.82 142.98 40.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.163 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 718' ' ' GLY . . . . . . . . . . . . . . . -74.58 135.46 19.42 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.457 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 719' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -81.27 -45.52 16.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.831 0.348 . . . . 0.0 111.146 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 720' ' ' LYS . . . . . 0.497 ' HD2' ' N ' ' A' ' 720' ' ' LYS . 4.7 mmmm -99.15 -41.66 7.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.902 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 721' ' ' GLY . . . . . . . . . . . . . . . -71.51 -22.87 78.59 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.504 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 722' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 62.8 45.81 5.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.827 0.346 . . . . 0.0 110.914 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 723' ' ' ILE . . . . . . . . . . . . . 64.0 mt -103.54 106.5 52.3 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.638 0.732 . . . . 0.0 111.122 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 724' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -30.35 22.61 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.705 2.27 . . . . 0.0 112.344 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 725' ' ' ASN . . . . . 0.495 ' O ' ' CB ' ' A' ' 617' ' ' SER . 77.5 m-20 -101.03 41.03 1.21 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.831 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 726' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -55.55 -48.99 73.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.875 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 727' ' ' GLY . . . . . . . . . . . . . . . 160.77 -170.65 36.72 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.502 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 728' ' ' THR . . . . . . . . . . . . . 15.9 m -131.09 149.18 52.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.776 0.322 . . . . 0.0 111.187 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 729' ' ' VAL . . . . . . . . . . . . . 7.5 p -104.69 139.15 26.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.141 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -106.58 112.15 25.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.915 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 731' ' ' TYR . . . . . 0.666 ' CE2' HD22 ' A' ' 698' ' ' LEU . 10.5 p90 -143.72 174.52 10.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.902 -179.851 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 732' ' ' TRP . . . . . 0.522 ' CE2' ' HB3' ' A' ' 610' ' ' HIS . 61.4 p-90 -157.21 136.0 11.59 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.938 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 733' ' ' PHE . . . . . 0.717 ' CD1' ' CD1' ' A' ' 700' ' ' PHE . 14.3 p90 -112.41 135.02 53.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.887 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 734' ' ' ARG . . . . . . . . . . . . . 16.9 ttm180 -129.63 112.37 13.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.892 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 735' ' ' LEU . . . . . . . . . . . . . 18.5 tp -111.55 105.04 13.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.91 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 736' ' ' ARG . . . . . 0.536 ' HD3' HG12 ' A' ' 737' ' ' VAL . 1.8 tmt_? -147.13 145.69 29.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 737' ' ' VAL . . . . . 0.536 HG12 ' HD3' ' A' ' 736' ' ' ARG . 14.5 p -35.04 144.67 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.112 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 738' ' ' SER . . . . . . . . . . . . . 33.3 t . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 -179.912 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 604' ' ' GLU . . . . . 0.473 ' O ' HG23 ' A' ' 737' ' ' VAL . 0.9 OUTLIER . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.854 0.359 . . . . 0.0 110.895 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 605' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -140.13 160.72 39.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 606' ' ' LEU . . . . . . . . . . . . . 9.9 tp -140.26 112.82 7.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.938 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 607' ' ' PHE . . . . . 0.578 ' CD2' ' CZ ' ' A' ' 669' ' ' PHE . 4.2 t80 -117.36 127.74 54.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 608' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -149.2 158.19 43.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 609' ' ' ILE . . . . . . . . . . . . . 42.3 mt -132.39 138.27 52.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.128 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 610' ' ' HIS . . . . . 0.439 ' CD2' ' HE1' ' A' ' 732' ' ' TRP . 4.5 t60 -125.96 128.88 48.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.831 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 41.8 mm -103.55 99.19 7.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.163 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 612' ' ' ASN . . . . . 0.438 ' ND2' ' NE2' ' A' ' 610' ' ' HIS . 1.1 m120 -60.78 -67.88 0.36 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.879 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 613' ' ' LYS . . . . . . . . . . . . . 21.7 pttm -158.31 170.45 22.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 614' ' ' VAL . . . . . 0.486 ' O ' HG13 ' A' ' 614' ' ' VAL . 9.8 p -122.58 125.32 72.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.148 179.857 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 615' ' ' THR . . . . . . . . . . . . . 5.4 m -94.93 143.66 26.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.197 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 616' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -116.02 166.91 11.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.85 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -106.97 156.02 19.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.824 -179.786 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 618' ' ' SER . . . . . 0.415 ' HA ' HD12 ' A' ' 621' ' ' LEU . 14.5 m -41.18 -59.93 1.38 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.837 -179.849 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 619' ' ' GLU . . . . . 0.619 ' OE1' HG23 ' A' ' 723' ' ' ILE . 39.4 tt0 -38.58 -46.67 1.22 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.855 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 620' ' ' VAL . . . . . . . . . . . . . 9.3 t -74.21 -47.02 42.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.085 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 621' ' ' LEU . . . . . 0.415 HD12 ' HA ' ' A' ' 618' ' ' SER . 84.8 mt -48.72 -43.93 37.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 622' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -71.8 -45.44 61.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.925 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -43.99 -51.39 7.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.065 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 57.9 m -79.74 -53.88 6.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.829 -179.745 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 625' ' ' GLY . . . . . . . . . . . . . . . 118.9 -164.38 13.08 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.509 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 626' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -85.66 46.04 1.27 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.913 0.387 . . . . 0.0 110.891 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 13.2 mmmt -121.88 -175.51 3.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.926 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 628' ' ' GLU . . . . . 0.467 ' HB3' ' N ' ' A' ' 650' ' ' GLY . 49.9 mt-10 -102.78 96.36 7.58 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.653 0.74 . . . . 0.0 110.879 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 629' ' ' PRO . . . . . 0.451 ' HG3' HD23 ' A' ' 651' ' ' LEU . 54.0 Cg_endo -69.71 108.96 2.18 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.714 2.276 . . . . 0.0 112.328 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 630' ' ' VAL . . . . . 0.855 HG22 ' HB3' ' A' ' 649' ' ' ARG . 1.7 t -82.07 123.87 38.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.111 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 631' ' ' THR . . . . . . . . . . . . . 48.5 p -125.78 178.06 5.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.152 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 632' ' ' PHE . . . . . 0.615 ' CD2' HG22 ' A' ' 647' ' ' VAL . 0.7 OUTLIER -145.74 147.5 31.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 633' ' ' CYS . . . . . 0.539 ' O ' HG23 ' A' ' 645' ' ' THR . 63.8 m -129.46 144.28 51.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.854 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 634' ' ' THR . . . . . 0.829 ' HB ' HD11 ' A' ' 642' ' ' LEU . 18.4 p -154.94 146.9 23.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.129 -179.882 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 635' ' ' TYR . . . . . 0.408 ' CD2' HD12 ' A' ' 680' ' ' LEU . 32.1 p90 -175.03 150.2 1.18 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 -179.854 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 636' ' ' ALA . . . . . . . . . . . . . . . -109.4 138.26 46.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.109 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 637' ' ' PHE . . . . . 0.501 ' CE1' ' HB2' ' A' ' 638' ' ' TYR . 3.2 t80 -111.79 146.92 36.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.919 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 638' ' ' TYR . . . . . 0.501 ' HB2' ' CE1' ' A' ' 637' ' ' PHE . 9.1 t80 40.03 31.41 0.09 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 -179.838 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 639' ' ' ASP . . . . . . . . . . . . . 4.6 t0 62.73 44.8 6.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.847 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 640' ' ' PHE . . . . . 0.444 ' CD2' ' HB3' ' A' ' 638' ' ' TYR . 17.7 m-85 -103.87 179.18 4.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -53.98 131.82 41.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.909 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 642' ' ' LEU . . . . . 0.829 HD11 ' HB ' ' A' ' 634' ' ' THR . 0.8 OUTLIER -47.58 126.13 9.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 643' ' ' GLN . . . . . 0.511 ' N ' HD13 ' A' ' 642' ' ' LEU . 3.1 tp60 -82.57 152.15 26.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.939 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 644' ' ' THR . . . . . . . . . . . . . 1.9 m -134.54 148.62 50.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.135 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 645' ' ' THR . . . . . 0.539 HG23 ' O ' ' A' ' 633' ' ' CYS . 0.4 OUTLIER -120.72 154.06 57.1 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.606 0.717 . . . . 0.0 111.117 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 646' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 129.14 17.13 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.672 2.248 . . . . 0.0 112.345 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 647' ' ' VAL . . . . . 0.615 HG22 ' CD2' ' A' ' 632' ' ' PHE . 97.2 t -68.42 116.45 8.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.119 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 648' ' ' VAL . . . . . 0.459 ' CG2' ' CE2' ' A' ' 655' ' ' TYR . 2.7 m -128.39 121.81 56.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.142 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 649' ' ' ARG . . . . . 0.855 ' HB3' HG22 ' A' ' 630' ' ' VAL . 9.5 ptp85 -84.61 134.96 34.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.847 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 650' ' ' GLY . . . . . 0.467 ' N ' ' HB3' ' A' ' 628' ' ' GLU . . . 150.76 165.22 12.56 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.518 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 651' ' ' LEU . . . . . 0.451 HD23 ' HG3' ' A' ' 629' ' ' PRO . 74.1 mt -77.44 -58.47 3.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.867 0.365 . . . . 0.0 110.949 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 652' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 -119.29 58.92 4.59 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-O 121.627 0.727 . . . . 0.0 110.885 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 653' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.75 165.31 31.4 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.687 2.258 . . . . 0.0 112.361 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -117.42 85.26 2.3 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 655' ' ' TYR . . . . . 0.459 ' CE2' ' CG2' ' A' ' 648' ' ' VAL . 77.9 m-85 -50.69 -49.87 56.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 -179.83 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 63.4 m-20 57.92 44.54 19.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.882 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 657' ' ' PHE . . . . . . . . . . . . . 83.6 t80 -92.21 107.51 19.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 17.8 m -118.4 127.73 53.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.157 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 47.7 m -151.67 115.36 4.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.858 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 660' ' ' GLN . . . . . 0.439 ' OE1' ' C ' ' A' ' 660' ' ' GLN . 0.1 OUTLIER -116.13 158.66 22.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.881 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 661' ' ' TYR . . . . . 0.433 ' CD1' ' C ' ' A' ' 660' ' ' GLN . 47.0 m-85 -152.06 139.79 19.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 -179.848 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 662' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.39 110.12 6.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.926 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 663' ' ' VAL . . . . . 0.601 HG23 ' O ' ' A' ' 663' ' ' VAL . 26.0 m -117.54 115.14 47.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.106 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 664' ' ' HIS . . . . . . . . . . . . . 3.2 m80 -83.28 104.63 13.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.823 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 665' ' ' VAL . . . . . 0.56 HG22 ' N ' ' A' ' 666' ' ' ASN . 12.7 p -146.46 164.51 8.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.094 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 666' ' ' ASN . . . . . 0.56 ' N ' HG22 ' A' ' 665' ' ' VAL . 3.7 t-20 -116.13 -176.02 2.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 667' ' ' ASP . . . . . 0.451 ' C ' ' O ' ' A' ' 666' ' ' ASN . 8.5 m-20 -34.03 -36.48 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.841 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 668' ' ' LEU . . . . . 0.551 ' H ' HD12 ' A' ' 668' ' ' LEU . 6.0 mp -38.05 -48.03 1.17 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.936 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 669' ' ' PHE . . . . . 0.578 ' CZ ' ' CD2' ' A' ' 607' ' ' PHE . 12.1 t80 -41.74 -51.79 4.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.892 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 670' ' ' LEU . . . . . 0.583 HD22 ' HA ' ' A' ' 704' ' ' LEU . 86.9 mt -45.3 -55.09 6.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.942 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 671' ' ' GLN . . . . . 0.416 ' O ' ' C ' ' A' ' 672' ' ' TYR . 0.3 OUTLIER -45.29 -59.13 2.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 672' ' ' TYR . . . . . 0.51 ' C ' ' CD1' ' A' ' 672' ' ' TYR . 0.5 OUTLIER -37.34 -41.43 0.42 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 -179.841 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 673' ' ' ILE . . . . . 0.663 ' CD1' HD12 ' A' ' 703' ' ' ILE . 17.7 mt -64.96 -48.41 84.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.136 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 674' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -59.77 -49.24 78.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.926 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 675' ' ' LYS . . . . . . . . . . . . . 73.1 mttt -76.82 -65.49 0.94 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 676' ' ' ASN . . . . . 0.424 ' N ' ' O ' ' A' ' 672' ' ' TYR . 6.3 m-20 -93.37 159.65 15.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.905 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 7.2 p -139.32 165.86 26.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.147 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 678' ' ' ILE . . . . . 0.459 ' N ' HD12 ' A' ' 678' ' ' ILE . 4.8 mp -88.27 118.3 33.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.134 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 96.6 m -99.9 101.43 12.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.192 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 680' ' ' LEU . . . . . 0.497 HD23 ' O ' ' A' ' 680' ' ' LEU . 8.3 tt -102.43 109.86 21.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.945 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 681' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -93.81 133.14 37.52 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 682' ' ' VAL . . . . . . . . . . . . . 78.5 t -101.49 103.0 14.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.136 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 683' ' ' HIS . . . . . 0.597 ' CD2' ' HB3' ' A' ' 632' ' ' PHE . 2.2 p-80 -103.57 157.05 17.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.828 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 684' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -90.17 122.4 33.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.911 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -86.48 109.14 18.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.092 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 686' ' ' TYR . . . . . 0.446 ' O ' ' C ' ' A' ' 687' ' ' SER . 33.9 m-85 -96.48 168.92 10.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.927 -179.883 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 687' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 686' ' ' TYR . 8.9 m -34.89 -62.65 0.36 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.854 -179.862 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 688' ' ' THR . . . . . . . . . . . . . 26.2 p -134.6 29.52 3.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.12 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 689' ' ' GLU . . . . . 0.596 ' C ' ' CD1' ' A' ' 690' ' ' TYR . 2.2 tp10 -142.08 154.15 44.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 690' ' ' TYR . . . . . 0.596 ' CD1' ' C ' ' A' ' 689' ' ' GLU . 1.0 OUTLIER -143.53 117.8 9.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.913 -179.877 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 691' ' ' GLU . . . . . 0.46 ' HG3' ' N ' ' A' ' 692' ' ' THR . 5.2 tp10 -131.72 153.58 49.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.926 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 692' ' ' THR . . . . . 0.46 ' N ' ' HG3' ' A' ' 691' ' ' GLU . 10.8 m -90.25 122.21 32.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.153 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 693' ' ' ILE . . . . . . . . . . . . . 6.3 pt -108.26 -26.83 3.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.147 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 694' ' ' ALA . . . . . 0.581 ' HA ' HG23 ' A' ' 719' ' ' THR . . . -139.25 159.82 41.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.142 179.813 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 695' ' ' ALA . . . . . . . . . . . . . . . -156.37 139.56 15.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.093 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 696' ' ' CYS . . . . . . . . . . . . . 21.5 p -144.33 168.22 20.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 697' ' ' GLN . . . . . . . . . . . . . 32.5 mm-40 -120.1 110.65 16.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.884 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 698' ' ' LEU . . . . . . . . . . . . . 50.4 mt -79.93 129.43 34.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.911 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 699' ' ' LYS . . . . . . . . . . . . . 7.2 ptpp? -148.8 135.62 19.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.917 179.816 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 700' ' ' PHE . . . . . 0.8 ' CD1' ' CE1' ' A' ' 733' ' ' PHE . 8.5 m-85 -113.06 126.36 55.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 701' ' ' HIS . . . . . . . . . . . . . 30.4 m-70 -91.32 -56.65 3.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.881 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 702' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -55.85 -35.73 66.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.912 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 703' ' ' ILE . . . . . 0.678 HD13 ' O ' ' A' ' 703' ' ' ILE . 0.0 OUTLIER -46.65 -20.65 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.14 179.913 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 704' ' ' LEU . . . . . 0.655 HD22 HG23 ' A' ' 703' ' ' ILE . 4.2 mm? -79.64 -50.55 10.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 705' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -72.76 -44.59 61.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.897 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 706' ' ' LYS . . . . . . . . . . . . . 53.2 mtmt -94.61 -179.61 4.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.912 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 707' ' ' SER . . . . . . . . . . . . . 77.4 p -152.89 105.24 2.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.872 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 708' ' ' GLY . . . . . . . . . . . . . . . 138.71 -148.3 19.85 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.525 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 709' ' ' ARG . . . . . 0.403 ' HD2' ' C ' ' A' ' 709' ' ' ARG . 7.4 tmm_? -70.19 118.34 12.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.803 0.335 . . . . 0.0 110.863 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 710' ' ' ILE . . . . . . . . . . . . . 19.3 mt -139.03 109.86 4.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.123 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 711' ' ' PHE . . . . . . . . . . . . . 30.6 m-85 -52.39 138.99 25.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 712' ' ' CYS . . . . . . . . . . . . . 20.9 m -161.2 160.99 30.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 713' ' ' THR . . . . . . . . . . . . . 19.0 p -143.21 166.45 24.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.172 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 714' ' ' ALA . . . . . . . . . . . . . . . -146.53 149.43 33.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.099 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 715' ' ' SER . . . . . . . . . . . . . 2.9 t -95.26 153.59 17.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 -179.785 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 716' ' ' LEU . . . . . . . . . . . . . 18.6 mt -115.43 139.4 50.06 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 717' ' ' ILE . . . . . . . . . . . . . 4.6 mp -120.35 149.04 23.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.16 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 718' ' ' GLY . . . . . . . . . . . . . . . -78.8 139.64 22.37 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.439 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 719' ' ' THR . . . . . 0.581 HG23 ' HA ' ' A' ' 694' ' ' ALA . 50.9 p -87.49 -53.46 4.8 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.891 0.377 . . . . 0.0 111.141 -179.885 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 720' ' ' LYS . . . . . . . . . . . . . 9.1 mmpt? -64.13 -41.62 97.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 721' ' ' GLY . . . . . . . . . . . . . . . -109.84 -149.7 12.8 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.479 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 722' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -134.76 64.8 1.58 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.828 0.346 . . . . 0.0 110.888 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 723' ' ' ILE . . . . . 0.619 HG23 ' OE1' ' A' ' 619' ' ' GLU . 54.7 mt -106.72 106.36 57.67 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.611 0.72 . . . . 0.0 111.157 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 724' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -51.15 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.701 2.267 . . . . 0.0 112.355 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 725' ' ' ASN . . . . . . . . . . . . . 41.5 m-20 -88.79 43.18 1.12 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 726' ' ' PHE . . . . . . . . . . . . . 16.1 t80 -56.36 -35.89 68.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 727' ' ' GLY . . . . . . . . . . . . . . . 165.76 162.5 17.2 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.496 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 728' ' ' THR . . . . . . . . . . . . . 4.4 m -111.57 152.57 27.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.845 0.355 . . . . 0.0 111.11 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 729' ' ' VAL . . . . . 0.432 ' O ' HG13 ' A' ' 729' ' ' VAL . 14.0 p -116.76 127.69 74.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.073 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -100.77 122.47 43.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.927 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 731' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -162.01 176.07 11.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 -179.869 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 732' ' ' TRP . . . . . 0.439 ' HE1' ' CD2' ' A' ' 610' ' ' HIS . 64.6 p-90 -156.03 144.4 20.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.96 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 733' ' ' PHE . . . . . 0.8 ' CE1' ' CD1' ' A' ' 700' ' ' PHE . 13.3 p90 -114.03 172.68 6.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.905 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 734' ' ' ARG . . . . . . . . . . . . . 33.4 ttm-85 -164.09 120.61 1.64 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.845 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 735' ' ' LEU . . . . . 0.464 ' HB2' ' CD2' ' A' ' 607' ' ' PHE . 19.3 tp -131.47 104.77 7.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 736' ' ' ARG . . . . . . . . . . . . . 4.7 mmt85 -152.57 165.31 35.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 737' ' ' VAL . . . . . 0.473 HG23 ' O ' ' A' ' 604' ' ' GLU . 9.5 p -67.29 128.74 31.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.145 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 738' ' ' SER . . . . . . . . . . . . . 18.7 t . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 -179.881 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 604' ' ' GLU . . . . . 0.614 ' OE1' HD21 ' A' ' 662' ' ' LEU . 25.3 mt-10 . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.867 0.365 . . . . 0.0 110.867 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 605' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -124.95 156.82 37.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.873 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 606' ' ' LEU . . . . . 0.505 HD23 HH21 ' A' ' 734' ' ' ARG . 14.6 tp -142.77 111.69 6.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.891 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 607' ' ' PHE . . . . . 0.454 ' CD2' ' CZ ' ' A' ' 637' ' ' PHE . 9.2 t80 -104.87 115.76 30.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.936 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 608' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -124.9 138.32 54.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 609' ' ' ILE . . . . . . . . . . . . . 35.6 mt -123.14 128.59 75.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.104 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 610' ' ' HIS . . . . . 0.508 ' C ' ' CD2' ' A' ' 610' ' ' HIS . 0.9 OUTLIER -122.57 133.37 54.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.823 179.904 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 25.8 mm -102.16 122.44 54.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.089 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 612' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -69.4 -67.82 0.45 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 613' ' ' LYS . . . . . . . . . . . . . 36.5 pttt -170.3 178.89 3.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 614' ' ' VAL . . . . . . . . . . . . . 92.1 t -129.97 115.5 33.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.13 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 615' ' ' THR . . . . . 0.427 HG22 ' N ' ' A' ' 616' ' ' PHE . 62.5 m -87.34 154.41 20.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.095 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 616' ' ' PHE . . . . . 0.586 ' CD1' HG11 ' A' ' 620' ' ' VAL . 18.9 m-85 -125.71 146.21 49.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.884 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 1.1 t -106.51 163.58 12.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 618' ' ' SER . . . . . . . . . . . . . 31.5 m -42.9 -51.39 5.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.853 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 619' ' ' GLU . . . . . . . . . . . . . 10.5 mp0 -50.7 -35.06 29.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 620' ' ' VAL . . . . . 0.586 HG11 ' CD1' ' A' ' 616' ' ' PHE . 5.4 t -78.73 -41.96 24.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.14 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 621' ' ' LEU . . . . . . . . . . . . . 68.1 mt -59.1 -39.66 82.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.923 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 622' ' ' GLN . . . . . . . . . . . . . 29.7 mm-40 -53.29 -33.79 54.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.921 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -57.11 -19.48 19.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.131 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 1.3 t -134.82 -164.63 1.55 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.84 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 625' ' ' GLY . . . . . . . . . . . . . . . -139.8 -116.4 1.34 Allowed Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.469 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 626' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -90.06 29.52 1.21 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.861 0.362 . . . . 0.0 110.862 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 9.7 ptmm? -131.75 106.34 8.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 628' ' ' GLU . . . . . 0.407 ' HB2' ' N ' ' A' ' 650' ' ' GLY . 0.8 OUTLIER -54.37 126.58 55.06 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.652 0.739 . . . . 0.0 110.913 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 629' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 120.38 7.18 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.663 2.242 . . . . 0.0 112.355 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 630' ' ' VAL . . . . . 0.564 HG22 ' HB3' ' A' ' 649' ' ' ARG . 5.6 t -92.38 108.86 20.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.142 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 631' ' ' THR . . . . . 0.752 HG22 ' HA ' ' A' ' 684' ' ' GLN . 2.3 p -129.46 179.59 5.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.118 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 632' ' ' PHE . . . . . 0.514 ' HE1' ' HB2' ' A' ' 685' ' ' ALA . 27.2 p90 -158.58 145.82 17.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 633' ' ' CYS . . . . . . . . . . . . . 82.2 m -89.35 127.31 35.79 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 634' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -130.07 123.1 29.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.186 -179.857 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 635' ' ' TYR . . . . . 0.483 ' CD2' HD12 ' A' ' 680' ' ' LEU . 20.4 p90 -163.89 177.02 8.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.907 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 636' ' ' ALA . . . . . 0.414 ' HB2' HD12 ' A' ' 642' ' ' LEU . . . -132.16 157.44 44.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.103 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 637' ' ' PHE . . . . . 0.454 ' CZ ' ' CD2' ' A' ' 607' ' ' PHE . 46.0 t80 -122.96 142.42 50.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.867 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 638' ' ' TYR . . . . . 0.413 ' HB3' ' CD2' ' A' ' 640' ' ' PHE . 2.8 t80 47.48 27.24 0.92 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.939 -179.855 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 639' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 64.06 40.33 7.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.85 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 640' ' ' PHE . . . . . 0.413 ' CD2' ' HB3' ' A' ' 638' ' ' TYR . 11.0 m-85 -106.21 176.88 5.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.852 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -46.33 132.04 10.35 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.915 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 642' ' ' LEU . . . . . 0.414 HD12 ' HB2' ' A' ' 636' ' ' ALA . 2.8 tp -61.05 139.57 58.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 643' ' ' GLN . . . . . . . . . . . . . 7.1 mm100 -103.67 120.75 41.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.932 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 644' ' ' THR . . . . . . . . . . . . . 23.9 m -96.54 115.99 28.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.145 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 645' ' ' THR . . . . . . . . . . . . . 1.3 p -76.66 158.07 81.35 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.58 0.705 . . . . 0.0 111.15 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 646' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 130.65 19.72 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.707 2.272 . . . . 0.0 112.323 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 647' ' ' VAL . . . . . . . . . . . . . 59.0 t -68.69 124.78 25.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.14 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 28.5 t -135.19 127.22 47.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.131 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 649' ' ' ARG . . . . . 0.564 ' HB3' HG22 ' A' ' 630' ' ' VAL . 0.2 OUTLIER -88.08 145.16 26.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.912 -179.953 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 650' ' ' GLY . . . . . 0.407 ' N ' ' HB2' ' A' ' 628' ' ' GLU . . . 146.14 -175.03 25.84 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.507 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 651' ' ' LEU . . . . . 0.4 HD22 ' C ' ' A' ' 650' ' ' GLY . 4.5 mm? -113.91 -37.24 4.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.827 0.346 . . . . 0.0 110.906 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 652' ' ' HIS . . . . . 0.481 ' N ' ' CD ' ' A' ' 653' ' ' PRO . 3.0 m80 -134.06 51.38 6.36 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.563 0.697 . . . . 0.0 110.857 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 653' ' ' PRO . . . . . 0.481 ' CD ' ' N ' ' A' ' 652' ' ' HIS . 54.2 Cg_endo -69.74 -178.57 2.4 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.692 2.261 . . . . 0.0 112.35 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -133.79 91.07 2.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 655' ' ' TYR . . . . . . . . . . . . . 62.6 m-85 -45.2 -62.39 1.27 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.92 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 2.9 m120 61.61 30.15 18.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.877 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 657' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -93.49 126.54 38.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 18.6 m -121.5 144.29 48.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.101 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 83.0 p -149.23 137.49 20.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 660' ' ' GLN . . . . . 0.496 ' O ' ' CD1' ' A' ' 661' ' ' TYR . 0.0 OUTLIER -131.95 156.03 46.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.899 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 661' ' ' TYR . . . . . 0.496 ' CD1' ' O ' ' A' ' 660' ' ' GLN . 68.8 m-85 -155.18 134.78 12.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.968 -179.861 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 662' ' ' LEU . . . . . 0.614 HD21 ' OE1' ' A' ' 604' ' ' GLU . 0.3 OUTLIER -73.96 106.79 5.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 663' ' ' VAL . . . . . 0.505 HG23 ' O ' ' A' ' 663' ' ' VAL . 29.8 m -123.41 121.69 63.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.116 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 664' ' ' HIS . . . . . . . . . . . . . 37.7 p-80 -91.12 98.77 11.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.861 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 665' ' ' VAL . . . . . 0.645 HG22 ' HB2' ' A' ' 669' ' ' PHE . 2.7 p -173.57 123.63 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.103 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 666' ' ' ASN . . . . . . . . . . . . . 19.4 m120 -116.67 -59.77 1.93 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.895 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 667' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -68.25 -60.6 2.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.88 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -54.57 -18.42 4.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.9 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 669' ' ' PHE . . . . . 0.645 ' HB2' HG22 ' A' ' 665' ' ' VAL . 1.5 t80 -71.98 -62.93 1.25 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.942 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 670' ' ' LEU . . . . . . . . . . . . . 18.8 mt -57.71 -41.96 82.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.922 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 671' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -52.5 -40.45 62.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 672' ' ' TYR . . . . . 0.565 ' C ' ' CD1' ' A' ' 672' ' ' TYR . 0.3 OUTLIER -71.58 -29.53 64.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.922 -179.886 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 673' ' ' ILE . . . . . 0.477 HG21 ' CG2' ' A' ' 703' ' ' ILE . 20.1 mm -66.1 -20.95 28.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.158 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 674' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -106.82 -35.11 7.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 675' ' ' LYS . . . . . . . . . . . . . 19.0 mtpp -66.19 -48.19 71.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.924 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 676' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -143.82 136.95 27.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.93 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 68.7 p -91.42 169.69 10.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.183 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 678' ' ' ILE . . . . . 0.503 HG22 ' N ' ' A' ' 679' ' ' THR . 17.5 mt -89.76 157.1 3.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.128 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 679' ' ' THR . . . . . 0.503 ' N ' HG22 ' A' ' 678' ' ' ILE . 71.9 m -131.29 116.69 17.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.158 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 680' ' ' LEU . . . . . 0.626 HD23 ' O ' ' A' ' 680' ' ' LEU . 7.1 tt -125.74 106.5 9.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.907 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 681' ' ' GLU . . . . . 0.461 ' HG2' ' CB ' ' A' ' 695' ' ' ALA . 13.0 mt-10 -105.71 138.79 41.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.863 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 682' ' ' VAL . . . . . . . . . . . . . 58.2 t -93.3 105.56 16.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.154 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 683' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -85.71 121.47 28.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.83 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 684' ' ' GLN . . . . . 0.752 ' HA ' HG22 ' A' ' 631' ' ' THR . 37.2 tt0 -88.01 115.1 25.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.865 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 685' ' ' ALA . . . . . 0.514 ' HB2' ' HE1' ' A' ' 632' ' ' PHE . . . -88.7 103.1 15.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.099 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 686' ' ' TYR . . . . . 0.593 ' CD2' ' O ' ' A' ' 689' ' ' GLU . 3.0 m-85 -70.24 168.88 14.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.917 -179.884 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 687' ' ' SER . . . . . . . . . . . . . 28.6 t -66.36 -4.01 7.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.865 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 688' ' ' THR . . . . . . . . . . . . . 11.6 p -129.52 -56.19 1.15 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.171 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 689' ' ' GLU . . . . . 0.593 ' O ' ' CD2' ' A' ' 686' ' ' TYR . 2.5 tp10 -127.89 158.72 37.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.831 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 690' ' ' TYR . . . . . 0.479 ' CD1' ' HB1' ' A' ' 685' ' ' ALA . 0.6 OUTLIER -118.15 117.01 27.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.925 -179.866 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 691' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -132.9 155.38 49.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 692' ' ' THR . . . . . . . . . . . . . 4.5 m -72.65 141.01 48.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.129 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 693' ' ' ILE . . . . . 0.41 HD13 ' HB2' ' A' ' 684' ' ' GLN . 32.3 pt -123.81 -30.62 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.105 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -131.44 162.96 28.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.096 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 695' ' ' ALA . . . . . 0.461 ' CB ' ' HG2' ' A' ' 681' ' ' GLU . . . -161.48 123.54 2.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.083 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 696' ' ' CYS . . . . . . . . . . . . . 24.5 p -130.48 171.12 13.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.845 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 697' ' ' GLN . . . . . . . . . . . . . 29.2 mm-40 -125.06 120.28 31.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.922 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 698' ' ' LEU . . . . . . . . . . . . . 4.5 mt -91.74 130.01 37.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.944 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 699' ' ' LYS . . . . . . . . . . . . . 12.5 pttt -155.48 123.45 5.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.925 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 700' ' ' PHE . . . . . 0.771 ' CD2' ' CD1' ' A' ' 733' ' ' PHE . 0.3 OUTLIER -104.29 125.47 50.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.859 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 701' ' ' HIS . . . . . . . . . . . . . 54.0 m80 -90.26 -44.72 9.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.835 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 702' ' ' GLU . . . . . 0.702 ' CB ' HG21 ' A' ' 710' ' ' ILE . 4.9 mp0 -49.39 -43.92 44.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.862 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 703' ' ' ILE . . . . . 0.499 HG22 ' O ' ' A' ' 700' ' ' PHE . 8.1 tt -47.42 -22.21 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.122 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 704' ' ' LEU . . . . . . . . . . . . . 32.0 mt -70.6 -37.09 73.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.895 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 705' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -107.61 -52.7 2.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.843 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 706' ' ' LYS . . . . . . . . . . . . . 34.0 mttt -88.49 178.04 6.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.881 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 707' ' ' SER . . . . . . . . . . . . . 58.4 m -156.87 116.85 3.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 708' ' ' GLY . . . . . . . . . . . . . . . 138.12 -161.59 25.58 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.529 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 709' ' ' ARG . . . . . . . . . . . . . 10.1 ptt180 -62.07 84.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.807 0.336 . . . . 0.0 110.842 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 710' ' ' ILE . . . . . 0.702 HG21 ' CB ' ' A' ' 702' ' ' GLU . 13.4 mt -103.54 90.41 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.129 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 711' ' ' PHE . . . . . 0.431 ' C ' ' O ' ' A' ' 710' ' ' ILE . 97.1 m-85 -35.7 138.9 0.15 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 712' ' ' CYS . . . . . . . . . . . . . 3.1 t -164.14 157.56 18.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.897 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 713' ' ' THR . . . . . . . . . . . . . 6.8 p -145.63 170.02 17.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.151 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 714' ' ' ALA . . . . . . . . . . . . . . . -146.19 147.38 31.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.073 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 715' ' ' SER . . . . . . . . . . . . . 51.1 m -85.55 158.1 20.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.845 -179.764 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 716' ' ' LEU . . . . . . . . . . . . . 13.8 mt -119.8 134.91 55.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.936 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 717' ' ' ILE . . . . . . . . . . . . . 4.7 mp -126.69 137.63 57.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.11 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 718' ' ' GLY . . . . . . . . . . . . . . . -66.6 156.17 51.29 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.452 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 719' ' ' THR . . . . . . . . . . . . . 18.3 p -89.53 -54.16 4.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.86 0.362 . . . . 0.0 111.152 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 720' ' ' LYS . . . . . . . . . . . . . 4.7 mtmp? -83.74 -70.08 0.59 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.866 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 721' ' ' GLY . . . . . . . . . . . . . . . -51.32 -25.45 12.14 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.54 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 722' ' ' ASP . . . . . . . . . . . . . 7.9 t0 64.67 38.98 6.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.828 0.347 . . . . 0.0 110.884 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 723' ' ' ILE . . . . . . . . . . . . . 15.9 mt -80.87 117.85 69.81 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.612 0.72 . . . . 0.0 111.154 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 724' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -41.79 3.96 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.691 2.261 . . . . 0.0 112.3 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 725' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -85.98 37.88 0.73 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.876 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 726' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -55.56 -35.65 65.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.888 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 727' ' ' GLY . . . . . . . . . . . . . . . 148.5 -175.14 27.92 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.487 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 728' ' ' THR . . . . . . . . . . . . . 5.8 m -132.04 149.45 52.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.773 0.321 . . . . 0.0 111.158 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 729' ' ' VAL . . . . . 0.415 HG22 ' N ' ' A' ' 730' ' ' GLU . 10.4 p -105.23 156.2 6.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.107 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 730' ' ' GLU . . . . . 0.415 ' N ' HG22 ' A' ' 729' ' ' VAL . 11.9 mp0 -127.08 114.66 18.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.865 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 731' ' ' TYR . . . . . . . . . . . . . 20.5 p90 -145.52 170.41 16.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.911 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 732' ' ' TRP . . . . . . . . . . . . . 32.3 p-90 -149.6 127.22 11.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.935 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 733' ' ' PHE . . . . . 0.771 ' CD1' ' CD2' ' A' ' 700' ' ' PHE . 36.2 p90 -112.09 146.03 38.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.866 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 734' ' ' ARG . . . . . 0.505 HH21 HD23 ' A' ' 606' ' ' LEU . 0.4 OUTLIER -147.05 123.52 11.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.869 -179.908 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 735' ' ' LEU . . . . . . . . . . . . . 24.8 tp -120.15 105.93 11.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 736' ' ' ARG . . . . . 0.43 ' O ' ' C ' ' A' ' 737' ' ' VAL . 34.1 ttm180 -144.15 138.53 28.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.91 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 737' ' ' VAL . . . . . 0.43 ' C ' ' O ' ' A' ' 736' ' ' ARG . 1.9 p -35.55 149.24 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.106 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 738' ' ' SER . . . . . . . . . . . . . 28.3 t . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.888 -179.855 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 604' ' ' GLU . . . . . . . . . . . . . 4.3 pm0 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.86 0.362 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 605' ' ' ASN . . . . . . . . . . . . . 9.6 m-20 -117.17 171.49 7.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.9 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 606' ' ' LEU . . . . . . . . . . . . . 12.9 tp -141.2 108.43 5.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.94 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 607' ' ' PHE . . . . . 0.744 ' CD2' ' CE1' ' A' ' 637' ' ' PHE . 13.2 t80 -90.94 104.16 16.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.934 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 608' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -112.75 135.18 53.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.837 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 609' ' ' ILE . . . . . . . . . . . . . 68.2 mt -123.3 137.39 56.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.127 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 610' ' ' HIS . . . . . . . . . . . . . 19.3 t60 -128.15 131.36 48.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.909 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 611' ' ' ILE . . . . . 0.513 HD13 ' HB3' ' A' ' 731' ' ' TYR . 23.4 mm -99.73 137.19 27.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.175 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 612' ' ' ASN . . . . . . . . . . . . . 10.6 m120 -93.5 -64.09 1.13 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 613' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.71 179.19 5.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 614' ' ' VAL . . . . . . . . . . . . . 95.1 t -130.49 113.67 26.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.15 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 615' ' ' THR . . . . . . . . . . . . . 39.3 m -87.18 127.11 35.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.172 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 616' ' ' PHE . . . . . 0.624 ' CD1' HG11 ' A' ' 620' ' ' VAL . 9.0 m-85 -105.33 158.72 16.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.845 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 6.3 p -96.35 164.67 12.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.863 -179.787 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 618' ' ' SER . . . . . . . . . . . . . 9.5 t -49.96 -62.36 1.61 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.865 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 619' ' ' GLU . . . . . 0.471 ' HG2' ' N ' ' A' ' 620' ' ' VAL . 24.3 pm0 -47.87 -31.26 4.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.92 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 620' ' ' VAL . . . . . 0.624 HG11 ' CD1' ' A' ' 616' ' ' PHE . 8.5 t -78.69 -31.39 15.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.157 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 621' ' ' LEU . . . . . 0.504 HD22 ' HG ' ' A' ' 651' ' ' LEU . 83.8 mt -70.79 -59.26 2.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.923 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 622' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -55.61 -40.45 72.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.88 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -44.75 -37.68 3.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.112 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 624' ' ' SER . . . . . 0.427 ' CB ' ' HG3' ' A' ' 629' ' ' PRO . 27.9 p -67.64 -56.22 10.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.927 -179.799 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 625' ' ' GLY . . . . . . . . . . . . . . . 116.04 -153.99 17.15 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.453 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 626' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -86.41 43.55 1.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.907 0.384 . . . . 0.0 110.881 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 10.6 ptpp? -144.49 177.31 8.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.917 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 628' ' ' GLU . . . . . 0.401 ' HA ' ' HD2' ' A' ' 629' ' ' PRO . 14.1 mm-40 -106.4 99.45 24.32 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.603 0.716 . . . . 0.0 110.878 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 629' ' ' PRO . . . . . 0.427 ' HG3' ' CB ' ' A' ' 624' ' ' SER . 53.8 Cg_endo -69.75 111.25 2.76 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.731 2.288 . . . . 0.0 112.321 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 630' ' ' VAL . . . . . 0.441 HG13 ' O ' ' A' ' 648' ' ' VAL . 9.0 t -91.4 145.6 7.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.157 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 631' ' ' THR . . . . . . . . . . . . . 1.1 p -150.24 163.38 38.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.183 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 632' ' ' PHE . . . . . 0.427 ' O ' ' CD1' ' A' ' 632' ' ' PHE . 21.5 p90 -142.67 136.54 29.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 633' ' ' CYS . . . . . 0.76 ' SG ' HG22 ' A' ' 682' ' ' VAL . 84.5 m -89.41 137.31 32.43 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 634' ' ' THR . . . . . 0.549 ' HB ' HD11 ' A' ' 642' ' ' LEU . 29.8 p -134.4 123.83 24.7 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.149 -179.878 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 635' ' ' TYR . . . . . 0.733 ' CD1' HD12 ' A' ' 680' ' ' LEU . 3.8 p90 -164.05 -179.68 6.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.929 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 636' ' ' ALA . . . . . . . . . . . . . . . -147.13 155.7 42.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.074 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 637' ' ' PHE . . . . . 0.744 ' CE1' ' CD2' ' A' ' 607' ' ' PHE . 9.4 t80 -122.35 132.16 54.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.897 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 638' ' ' TYR . . . . . . . . . . . . . 5.0 t80 70.75 29.1 3.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.911 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 639' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 58.87 35.6 24.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.829 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 640' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -93.4 -179.28 5.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -55.52 140.27 41.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 642' ' ' LEU . . . . . 0.549 HD11 ' HB ' ' A' ' 634' ' ' THR . 0.3 OUTLIER -67.7 117.07 9.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.933 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 643' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -92.77 124.49 36.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.902 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 644' ' ' THR . . . . . . . . . . . . . 50.2 m -91.81 134.31 34.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.159 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 645' ' ' THR . . . . . . . . . . . . . 9.8 p -85.41 155.77 59.67 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.576 0.703 . . . . 0.0 111.165 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 646' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 133.32 25.42 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.701 2.267 . . . . 0.0 112.368 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 647' ' ' VAL . . . . . . . . . . . . . 39.7 t -69.37 129.76 33.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.113 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 648' ' ' VAL . . . . . 0.441 ' O ' HG13 ' A' ' 630' ' ' VAL . 84.8 t -134.14 133.16 55.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.175 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 649' ' ' ARG . . . . . 0.409 ' N ' ' HD3' ' A' ' 649' ' ' ARG . 2.0 mpp_? -86.34 136.31 33.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 650' ' ' GLY . . . . . . . . . . . . . . . 129.62 162.38 10.83 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.521 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 651' ' ' LEU . . . . . 0.504 ' HG ' HD22 ' A' ' 621' ' ' LEU . 2.4 mm? -70.78 -56.74 5.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.858 0.361 . . . . 0.0 110.932 -179.891 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 652' ' ' HIS . . . . . . . . . . . . . 1.2 m80 -107.44 73.47 0.38 Allowed Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.585 0.707 . . . . 0.0 110.821 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 653' ' ' PRO . . . . . 0.409 ' HD3' ' C ' ' A' ' 651' ' ' LEU . 53.8 Cg_endo -69.81 149.2 66.26 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.691 2.261 . . . . 0.0 112.319 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -113.12 71.47 0.74 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 655' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -42.65 -52.92 4.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 2.9 m120 57.21 39.97 28.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.85 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 657' ' ' PHE . . . . . . . . . . . . . 28.7 t80 -102.24 140.77 36.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.86 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 6.8 m -132.97 137.68 46.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.176 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 54.3 p -132.34 141.1 48.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.798 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 53.2 mt-30 -105.5 152.06 23.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.923 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 661' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -141.52 111.21 6.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 662' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -73.34 101.59 3.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.918 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 663' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 663' ' ' VAL . 18.6 m -131.28 115.67 30.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.154 179.818 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 664' ' ' HIS . . . . . 0.752 ' O ' HG13 ' A' ' 665' ' ' VAL . 4.1 t-80 -93.95 112.15 23.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.822 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 665' ' ' VAL . . . . . 0.752 HG13 ' O ' ' A' ' 664' ' ' HIS . 0.6 OUTLIER -167.31 169.56 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.132 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 666' ' ' ASN . . . . . . . . . . . . . 7.2 m-80 -127.28 -67.87 0.82 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 667' ' ' ASP . . . . . . . . . . . . . 50.4 m-20 -81.8 -60.23 2.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.812 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 10.8 mp -41.21 -28.83 0.11 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 669' ' ' PHE . . . . . 0.752 ' HD2' HG23 ' A' ' 665' ' ' VAL . 1.0 OUTLIER -61.11 -69.98 0.21 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.95 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 670' ' ' LEU . . . . . . . . . . . . . 43.8 mt -61.17 -42.91 99.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.924 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 671' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -54.88 -39.15 68.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.836 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 672' ' ' TYR . . . . . 0.642 ' C ' ' CD1' ' A' ' 672' ' ' TYR . 0.0 OUTLIER -71.89 -17.2 62.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.886 -179.857 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 673' ' ' ILE . . . . . 0.971 HG21 HG21 ' A' ' 703' ' ' ILE . 67.9 mt -89.2 -33.56 6.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.159 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 674' ' ' GLN . . . . . 0.569 ' HB3' HD21 ' A' ' 704' ' ' LEU . 17.2 pt20 -88.75 -36.22 16.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 675' ' ' LYS . . . . . . . . . . . . . 14.0 mmmt -75.09 -72.61 0.29 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 676' ' ' ASN . . . . . 0.595 ' ND2' ' CD2' ' A' ' 672' ' ' TYR . 1.6 p-10 -94.59 153.28 17.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 677' ' ' THR . . . . . 0.412 HG22 ' HB3' ' A' ' 699' ' ' LYS . 82.4 p -117.77 163.55 16.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.167 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 678' ' ' ILE . . . . . 0.422 ' N ' HD12 ' A' ' 678' ' ' ILE . 4.6 mp -89.8 139.92 16.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.173 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 2.8 m -102.13 106.63 17.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.172 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 680' ' ' LEU . . . . . 1.063 HD13 HD11 ' A' ' 698' ' ' LEU . 5.8 tt -120.84 100.62 7.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.943 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 681' ' ' GLU . . . . . 0.474 ' HG2' ' CB ' ' A' ' 695' ' ' ALA . 59.6 mt-10 -98.34 130.39 45.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 682' ' ' VAL . . . . . 0.76 HG22 ' SG ' ' A' ' 633' ' ' CYS . 68.7 t -95.31 102.02 13.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.121 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 683' ' ' HIS . . . . . 0.483 ' N ' ' CD2' ' A' ' 683' ' ' HIS . 0.7 OUTLIER -93.69 132.65 37.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.846 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 684' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -92.34 119.97 32.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -87.23 131.81 34.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.143 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 686' ' ' TYR . . . . . 0.46 ' CD2' ' O ' ' A' ' 689' ' ' GLU . 0.6 OUTLIER -99.59 168.56 9.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.95 -179.813 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 687' ' ' SER . . . . . . . . . . . . . 17.2 m -60.95 -9.29 4.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 688' ' ' THR . . . . . . . . . . . . . 20.3 p -113.64 -72.88 0.68 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.212 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 689' ' ' GLU . . . . . 0.46 ' O ' ' CD2' ' A' ' 686' ' ' TYR . 4.2 pt-20 -123.07 -175.12 3.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 690' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -141.33 133.82 28.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.864 -179.826 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 691' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -145.13 155.5 43.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.877 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 692' ' ' THR . . . . . . . . . . . . . 62.4 m -68.89 130.89 44.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.166 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 693' ' ' ILE . . . . . . . . . . . . . 7.4 pt -122.55 -22.04 3.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.139 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -132.28 152.45 51.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.114 179.8 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 695' ' ' ALA . . . . . 0.474 ' CB ' ' HG2' ' A' ' 681' ' ' GLU . . . -150.99 127.74 10.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.127 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 696' ' ' CYS . . . . . . . . . . . . . 31.3 p -146.57 161.35 40.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 697' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -111.25 117.74 34.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.939 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 698' ' ' LEU . . . . . 1.063 HD11 HD13 ' A' ' 680' ' ' LEU . 99.0 mt -83.12 122.2 28.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.939 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 699' ' ' LYS . . . . . 0.412 ' HB3' HG22 ' A' ' 677' ' ' THR . 6.2 pttt -147.08 124.23 11.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 179.845 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 700' ' ' PHE . . . . . 0.59 ' HB3' ' CZ ' ' A' ' 733' ' ' PHE . 0.5 OUTLIER -100.5 123.88 45.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.887 179.956 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 701' ' ' HIS . . . . . . . . . . . . . 42.2 m80 -90.49 -42.47 10.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.863 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 702' ' ' GLU . . . . . 0.459 ' HB3' HG21 ' A' ' 710' ' ' ILE . 7.4 mp0 -47.87 -36.68 12.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.896 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 703' ' ' ILE . . . . . 0.971 HG21 HG21 ' A' ' 673' ' ' ILE . 1.0 OUTLIER -47.51 -30.32 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.09 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 704' ' ' LEU . . . . . 0.569 HD21 ' HB3' ' A' ' 674' ' ' GLN . 9.9 mt -74.31 -39.48 62.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.947 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 705' ' ' GLU . . . . . . . . . . . . . 73.2 mm-40 -76.37 -70.73 0.43 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.856 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 706' ' ' LYS . . . . . . . . . . . . . 11.8 mtmt -96.24 178.12 5.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.903 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 707' ' ' SER . . . . . . . . . . . . . 25.2 p -148.16 106.61 3.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.851 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 708' ' ' GLY . . . . . . . . . . . . . . . 144.62 -138.98 8.19 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.496 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 709' ' ' ARG . . . . . . . . . . . . . 8.1 ttm180 -62.82 94.31 0.06 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.794 0.331 . . . . 0.0 110.846 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 710' ' ' ILE . . . . . 0.459 HG21 ' HB3' ' A' ' 702' ' ' GLU . 7.7 mt -135.81 126.72 43.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.127 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 711' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -112.67 154.02 26.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.878 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 712' ' ' CYS . . . . . . . . . . . . . 1.8 t -160.37 178.14 9.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.891 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 713' ' ' THR . . . . . 0.425 ' HB ' ' CG2' ' A' ' 728' ' ' THR . 28.7 p -135.55 155.63 50.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.112 -179.857 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 714' ' ' ALA . . . . . . . . . . . . . . . -122.16 168.82 11.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.097 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 715' ' ' SER . . . . . . . . . . . . . 41.0 t -104.76 133.02 50.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.852 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 716' ' ' LEU . . . . . 0.58 ' C ' HD12 ' A' ' 717' ' ' ILE . 12.2 mt -103.74 150.54 23.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.932 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 717' ' ' ILE . . . . . 0.58 HD12 ' C ' ' A' ' 716' ' ' LEU . 4.6 mp -137.2 144.76 31.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.138 179.826 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 718' ' ' GLY . . . . . . . . . . . . . . . -82.19 162.62 42.46 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.455 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 719' ' ' THR . . . . . . . . . . . . . 47.0 p -98.64 -57.23 2.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.895 0.379 . . . . 0.0 111.145 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 720' ' ' LYS . . . . . . . . . . . . . 7.5 mptt -81.16 -48.47 12.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.917 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 721' ' ' GLY . . . . . . . . . . . . . . . -74.62 -16.46 80.16 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.438 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 722' ' ' ASP . . . . . . . . . . . . . 38.1 m-20 54.58 39.08 30.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.792 0.329 . . . . 0.0 110.847 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 723' ' ' ILE . . . . . . . . . . . . . 75.3 mt -84.25 110.47 26.66 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.599 0.714 . . . . 0.0 111.099 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 724' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -27.28 26.49 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.709 2.272 . . . . 0.0 112.341 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 725' ' ' ASN . . . . . . . . . . . . . 47.6 t-20 -106.49 43.56 1.14 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.912 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 726' ' ' PHE . . . . . 0.433 ' O ' HG21 ' A' ' 620' ' ' VAL . 10.7 t80 -56.08 -36.58 68.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 727' ' ' GLY . . . . . . . . . . . . . . . 157.17 170.11 21.73 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.493 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 728' ' ' THR . . . . . 0.425 ' CG2' ' HB ' ' A' ' 713' ' ' THR . 7.5 m -110.97 147.1 35.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.843 0.354 . . . . 0.0 111.145 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 729' ' ' VAL . . . . . . . . . . . . . 11.0 p -112.22 135.8 50.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.161 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -110.08 125.39 52.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 731' ' ' TYR . . . . . 0.513 ' HB3' HD13 ' A' ' 611' ' ' ILE . 3.5 p90 -143.98 177.83 8.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.969 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 732' ' ' TRP . . . . . 0.586 ' CZ2' ' HB2' ' A' ' 734' ' ' ARG . 7.6 t90 -149.8 134.88 17.99 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.953 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 733' ' ' PHE . . . . . 0.59 ' CZ ' ' HB3' ' A' ' 700' ' ' PHE . 12.8 p90 -129.36 149.54 51.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.926 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 734' ' ' ARG . . . . . 0.586 ' HB2' ' CZ2' ' A' ' 732' ' ' TRP . 34.6 ttt180 -141.1 158.44 43.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.865 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 735' ' ' LEU . . . . . 0.544 HD13 ' CZ ' ' A' ' 669' ' ' PHE . 23.5 tp -141.04 105.02 4.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.919 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 736' ' ' ARG . . . . . . . . . . . . . 5.4 tpm_? -152.31 136.85 16.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.863 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 737' ' ' VAL . . . . . 0.406 HG22 ' N ' ' A' ' 738' ' ' SER . 9.0 p -38.49 153.68 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.123 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 738' ' ' SER . . . . . 0.406 ' N ' HG22 ' A' ' 737' ' ' VAL . 22.2 t . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.827 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 604' ' ' GLU . . . . . . . . . . . . . 2.6 pm0 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.797 0.332 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 605' ' ' ASN . . . . . . . . . . . . . 34.9 m120 -116.05 165.78 12.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.919 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 606' ' ' LEU . . . . . 0.426 HD12 ' O ' ' A' ' 661' ' ' TYR . 9.3 tp -140.12 140.59 36.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.898 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 607' ' ' PHE . . . . . 0.4 ' CE2' ' HZ ' ' A' ' 669' ' ' PHE . 31.9 t80 -139.4 124.72 19.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 608' ' ' GLU . . . . . . . . . . . . . 18.5 pt-20 -128.96 147.06 50.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.931 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 609' ' ' ILE . . . . . . . . . . . . . 39.4 mt -123.27 129.44 74.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.174 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 610' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -125.89 118.3 25.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.863 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 32.4 mm -86.56 121.94 38.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.124 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 612' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -72.68 -67.84 0.53 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.918 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 613' ' ' LYS . . . . . . . . . . . . . 2.4 ptpt -166.4 179.08 5.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.883 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 614' ' ' VAL . . . . . . . . . . . . . 70.7 t -127.16 110.85 23.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.101 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 615' ' ' THR . . . . . . . . . . . . . 89.7 m -87.36 145.06 26.48 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.137 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 616' ' ' PHE . . . . . 0.513 ' HB3' ' CG2' ' A' ' 620' ' ' VAL . 32.7 m-85 -127.67 167.78 15.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.899 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 617' ' ' SER . . . . . 0.472 ' O ' ' N ' ' A' ' 619' ' ' GLU . 27.1 t -109.01 146.57 33.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.846 -179.773 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 618' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 617' ' ' SER . 22.4 t -35.3 -32.98 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.841 -179.795 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 619' ' ' GLU . . . . . 0.728 ' HG3' HD13 ' A' ' 723' ' ' ILE . 4.0 tp10 -46.72 -68.93 0.15 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.831 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 620' ' ' VAL . . . . . 0.513 ' CG2' ' HB3' ' A' ' 616' ' ' PHE . 34.0 m -65.81 -38.59 82.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.166 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 621' ' ' LEU . . . . . . . . . . . . . 29.3 mt -48.78 -50.27 34.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.921 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 622' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -76.37 -46.35 27.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -48.06 -43.1 30.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.088 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 73.9 m -63.8 -53.1 56.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 625' ' ' GLY . . . . . . . . . . . . . . . 105.47 -155.01 17.06 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.447 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 626' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -83.35 45.59 1.05 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.835 0.35 . . . . 0.0 110.876 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 10.0 ptmt -143.74 143.57 31.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -97.05 104.69 19.92 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-O 121.699 0.761 . . . . 0.0 110.881 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 629' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.8 116.72 4.69 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.66 2.24 . . . . 0.0 112.363 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 630' ' ' VAL . . . . . 0.712 HG22 ' HB3' ' A' ' 649' ' ' ARG . 4.7 t -80.36 123.56 37.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.164 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 631' ' ' THR . . . . . 0.591 HG22 ' HB3' ' A' ' 684' ' ' GLN . 38.9 p -133.49 165.43 24.89 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.119 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 632' ' ' PHE . . . . . 0.641 ' CE2' ' NE2' ' A' ' 683' ' ' HIS . 18.5 p90 -147.63 140.6 24.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.855 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 633' ' ' CYS . . . . . . . . . . . . . 73.3 m -93.14 129.51 39.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.852 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 634' ' ' THR . . . . . . . . . . . . . 10.9 p -135.66 122.19 20.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.133 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 635' ' ' TYR . . . . . 0.416 ' C ' HD22 ' A' ' 642' ' ' LEU . 32.1 p90 -155.97 162.78 40.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 636' ' ' ALA . . . . . 0.582 ' HB2' HD22 ' A' ' 642' ' ' LEU . . . -114.46 128.54 56.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.127 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 637' ' ' PHE . . . . . 0.655 ' O ' ' CD1' ' A' ' 640' ' ' PHE . 54.5 t80 -105.44 158.9 16.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 638' ' ' TYR . . . . . 0.62 ' HB3' ' CE2' ' A' ' 640' ' ' PHE . 7.3 t80 45.39 25.02 0.19 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 -179.821 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 639' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 51.01 54.97 10.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.924 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 640' ' ' PHE . . . . . 0.655 ' CD1' ' O ' ' A' ' 637' ' ' PHE . 0.0 OUTLIER -137.75 -171.61 3.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.853 -179.835 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 641' ' ' GLU . . . . . 0.458 ' C ' ' O ' ' A' ' 640' ' ' PHE . 16.3 pt-20 -33.24 123.7 0.4 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.915 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 642' ' ' LEU . . . . . 0.684 HD13 ' N ' ' A' ' 643' ' ' GLN . 0.7 OUTLIER -62.45 117.31 5.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.885 -179.92 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 643' ' ' GLN . . . . . 0.684 ' N ' HD13 ' A' ' 642' ' ' LEU . 11.9 mm100 -78.72 125.15 28.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.905 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 644' ' ' THR . . . . . . . . . . . . . 60.1 m -106.05 134.18 49.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.137 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 645' ' ' THR . . . . . . . . . . . . . 73.3 p -95.55 152.55 39.29 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.55 0.691 . . . . 0.0 111.119 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 646' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 144.26 53.65 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.652 2.234 . . . . 0.0 112.387 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 647' ' ' VAL . . . . . 0.408 ' CG1' ' CG1' ' A' ' 630' ' ' VAL . 58.3 t -68.34 126.18 27.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.126 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 92.6 t -136.21 111.92 11.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.15 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 649' ' ' ARG . . . . . 0.712 ' HB3' HG22 ' A' ' 630' ' ' VAL . 0.0 OUTLIER -84.95 146.4 27.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.848 -179.936 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 650' ' ' GLY . . . . . . . . . . . . . . . 133.8 162.66 10.11 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.47 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 651' ' ' LEU . . . . . 0.554 ' N ' HD22 ' A' ' 651' ' ' LEU . 1.5 mm? -81.71 -52.2 7.4 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.868 0.366 . . . . 0.0 110.861 -179.857 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 652' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 -127.46 57.08 22.12 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.615 0.722 . . . . 0.0 110.895 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 653' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 -170.19 0.37 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.705 2.27 . . . . 0.0 112.361 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 81.5 mt-10 -132.78 77.26 1.73 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.908 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 655' ' ' TYR . . . . . . . . . . . . . 90.2 m-85 -38.85 -57.24 1.25 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.926 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 7.2 m-20 55.73 40.76 30.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.903 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 657' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -94.42 103.57 15.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 6.3 m -117.45 107.41 14.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.168 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 58.2 p -109.28 148.82 30.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.852 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -118.74 121.47 40.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.86 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 661' ' ' TYR . . . . . 0.426 ' O ' HD12 ' A' ' 606' ' ' LEU . 13.3 m-85 -130.49 122.84 28.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.962 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 662' ' ' LEU . . . . . 0.406 ' HA ' HD22 ' A' ' 662' ' ' LEU . 0.6 OUTLIER -72.41 102.16 3.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.927 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 663' ' ' VAL . . . . . 0.558 HG23 ' O ' ' A' ' 663' ' ' VAL . 35.0 m -115.23 115.58 49.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.12 179.857 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 664' ' ' HIS . . . . . 0.542 ' O ' ' CD2' ' A' ' 664' ' ' HIS . 50.1 p-80 -90.87 99.41 12.45 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 665' ' ' VAL . . . . . 0.527 HG11 ' CZ ' ' A' ' 638' ' ' TYR . 4.0 m -156.49 149.8 10.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.125 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 666' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -134.96 -62.97 0.71 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 667' ' ' ASP . . . . . . . . . . . . . 40.5 t0 -83.89 -60.09 2.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.862 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 16.6 mt -41.39 -41.88 2.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.932 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 669' ' ' PHE . . . . . 0.4 ' HZ ' ' CE2' ' A' ' 607' ' ' PHE . 3.7 t80 -49.95 -70.72 0.08 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 670' ' ' LEU . . . . . . . . . . . . . 71.3 mt -49.64 -53.15 25.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.911 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 671' ' ' GLN . . . . . 0.421 ' O ' ' CG ' ' A' ' 675' ' ' LYS . 23.8 mt-30 -45.97 -38.22 7.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 672' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -73.64 -47.98 35.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.952 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 673' ' ' ILE . . . . . . . . . . . . . 29.5 mm -44.32 -45.96 2.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.142 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 674' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -83.81 -54.54 4.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.873 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 675' ' ' LYS . . . . . 0.421 ' CG ' ' O ' ' A' ' 671' ' ' GLN . 79.7 mttt -46.78 -58.83 3.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.897 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 676' ' ' ASN . . . . . . . . . . . . . 7.7 m-80 -119.7 159.07 25.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 11.6 p -119.69 165.8 14.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.142 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 678' ' ' ILE . . . . . . . . . . . . . 15.9 mt -90.02 147.35 5.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.119 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 51.5 m -121.04 101.42 7.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.112 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 680' ' ' LEU . . . . . 0.769 HD23 ' O ' ' A' ' 680' ' ' LEU . 6.5 tt -109.7 101.21 10.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.923 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 681' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -96.69 132.45 42.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 682' ' ' VAL . . . . . 0.422 ' O ' ' HB3' ' A' ' 694' ' ' ALA . 61.8 t -102.91 97.18 5.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.135 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 683' ' ' HIS . . . . . 0.641 ' NE2' ' CE2' ' A' ' 632' ' ' PHE . 5.4 p-80 -106.27 158.31 16.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.84 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 684' ' ' GLN . . . . . 0.591 ' HB3' HG22 ' A' ' 631' ' ' THR . 13.6 pt20 -109.35 147.13 33.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -98.65 104.53 16.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.088 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 686' ' ' TYR . . . . . 0.532 ' CZ ' ' HG3' ' A' ' 684' ' ' GLN . 21.1 m-85 -78.76 167.57 21.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.938 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 687' ' ' SER . . . . . . . . . . . . . 7.3 t -40.4 -61.76 0.86 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.821 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 688' ' ' THR . . . . . . . . . . . . . 8.8 t -134.81 33.6 3.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.159 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 689' ' ' GLU . . . . . 0.519 ' C ' ' CD1' ' A' ' 690' ' ' TYR . 5.7 mp0 -140.92 161.59 37.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.892 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 690' ' ' TYR . . . . . 0.519 ' CD1' ' C ' ' A' ' 689' ' ' GLU . 56.9 m-85 -154.23 118.68 4.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.93 -179.861 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 691' ' ' GLU . . . . . 0.458 ' HG3' ' N ' ' A' ' 692' ' ' THR . 33.3 tp10 -149.63 155.58 40.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.857 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 692' ' ' THR . . . . . 0.458 ' N ' ' HG3' ' A' ' 691' ' ' GLU . 25.8 m -85.8 119.77 26.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.128 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 693' ' ' ILE . . . . . 0.525 HD12 ' HB2' ' A' ' 694' ' ' ALA . 2.6 pp -108.14 -24.05 4.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.122 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 694' ' ' ALA . . . . . 0.525 ' HB2' HD12 ' A' ' 693' ' ' ILE . . . -130.98 152.47 50.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.08 179.821 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 695' ' ' ALA . . . . . . . . . . . . . . . -164.43 133.63 3.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.12 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 696' ' ' CYS . . . . . . . . . . . . . 28.1 p -149.75 162.12 40.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.851 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 697' ' ' GLN . . . . . . . . . . . . . 7.0 mm-40 -112.84 111.43 22.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.921 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 698' ' ' LEU . . . . . 0.703 HD11 HD13 ' A' ' 680' ' ' LEU . 61.6 mt -82.71 135.08 35.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.874 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 699' ' ' LYS . . . . . . . . . . . . . 7.3 ptpt -154.73 128.83 8.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.945 179.82 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 700' ' ' PHE . . . . . 0.645 ' CD1' ' CE1' ' A' ' 733' ' ' PHE . 4.9 m-85 -100.78 124.91 47.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.899 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 701' ' ' HIS . . . . . . . . . . . . . 33.2 m-70 -91.17 -57.3 2.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.832 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 702' ' ' GLU . . . . . 0.775 ' HB2' HG21 ' A' ' 710' ' ' ILE . 50.2 mm-40 -43.33 -44.87 5.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 703' ' ' ILE . . . . . 0.411 HG22 ' O ' ' A' ' 700' ' ' PHE . 18.2 tt -47.27 -38.03 4.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.114 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 704' ' ' LEU . . . . . . . . . . . . . 17.2 mt -64.81 -36.89 85.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.886 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 705' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -95.47 -64.93 1.01 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.924 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 706' ' ' LYS . . . . . 0.474 ' N ' ' O ' ' A' ' 702' ' ' GLU . 15.6 mttm -82.55 179.64 7.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 707' ' ' SER . . . . . . . . . . . . . 1.1 t -147.95 130.1 15.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.856 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 708' ' ' GLY . . . . . . . . . . . . . . . 117.67 -154.53 16.61 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.494 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 709' ' ' ARG . . . . . 0.431 ' C ' HG13 ' A' ' 710' ' ' ILE . 5.7 ptp180 -61.15 122.08 14.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.796 0.331 . . . . 0.0 110.88 -179.87 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 710' ' ' ILE . . . . . 0.775 HG21 ' HB2' ' A' ' 702' ' ' GLU . 15.6 mt -141.25 116.49 6.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.155 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 711' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 -77.06 125.18 28.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 712' ' ' CYS . . . . . . . . . . . . . 1.7 m -150.76 160.34 43.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.891 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 713' ' ' THR . . . . . . . . . . . . . 32.1 p -142.2 164.53 29.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.152 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 714' ' ' ALA . . . . . . . . . . . . . . . -136.8 151.97 49.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.101 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 715' ' ' SER . . . . . . . . . . . . . 4.9 t -89.86 152.64 21.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.851 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 716' ' ' LEU . . . . . . . . . . . . . 11.1 mt -118.46 144.49 45.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.877 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 717' ' ' ILE . . . . . . . . . . . . . 5.2 mp -132.72 139.04 50.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.108 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 718' ' ' GLY . . . . . . . . . . . . . . . -83.39 132.13 10.87 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.501 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 719' ' ' THR . . . . . . . . . . . . . 55.9 p -79.28 -49.01 13.13 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.849 0.357 . . . . 0.0 111.15 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 720' ' ' LYS . . . . . . . . . . . . . 25.6 mmtt -77.42 -43.82 31.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.901 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 721' ' ' GLY . . . . . . . . . . . . . . . -78.63 -20.3 71.64 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.451 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 722' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 56.94 42.55 26.1 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.804 0.335 . . . . 0.0 110.847 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 723' ' ' ILE . . . . . 0.728 HD13 ' HG3' ' A' ' 619' ' ' GLU . 31.3 mt -106.59 116.3 59.22 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.58 0.705 . . . . 0.0 111.128 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 724' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.76 -38.08 8.28 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.671 2.247 . . . . 0.0 112.331 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 725' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -85.14 39.42 0.77 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.858 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 726' ' ' PHE . . . . . 0.426 ' CZ ' HG11 ' A' ' 620' ' ' VAL . 4.2 t80 -57.4 -48.78 78.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.883 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 727' ' ' GLY . . . . . . . . . . . . . . . 155.88 173.4 24.45 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.486 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 728' ' ' THR . . . . . . . . . . . . . 7.5 m -114.82 152.85 31.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.803 0.335 . . . . 0.0 111.154 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 729' ' ' VAL . . . . . . . . . . . . . 7.6 p -108.83 141.39 24.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.114 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -112.09 107.24 16.1 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 731' ' ' TYR . . . . . . . . . . . . . 5.3 p90 -125.08 177.41 6.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.954 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 732' ' ' TRP . . . . . 0.59 ' CZ2' ' HB2' ' A' ' 734' ' ' ARG . 24.6 t90 -156.39 128.78 7.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.937 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 733' ' ' PHE . . . . . 0.645 ' CE1' ' CD1' ' A' ' 700' ' ' PHE . 30.3 p90 -128.67 153.28 47.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.869 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 734' ' ' ARG . . . . . 0.59 ' HB2' ' CZ2' ' A' ' 732' ' ' TRP . 0.0 OUTLIER -145.52 121.19 10.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.855 -179.874 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 735' ' ' LEU . . . . . . . . . . . . . 41.8 tp -118.7 112.64 20.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.907 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 736' ' ' ARG . . . . . . . . . . . . . 39.1 mtp180 -154.97 152.13 29.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 737' ' ' VAL . . . . . . . . . . . . . 9.0 p -49.15 137.7 4.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.139 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 738' ' ' SER . . . . . . . . . . . . . 14.4 t . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.857 -179.833 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 604' ' ' GLU . . . . . . . . . . . . . 24.0 pm0 . . . . . 0 N--CA 1.457 -0.075 0 CA-C-O 120.867 0.365 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 605' ' ' ASN . . . . . . . . . . . . . 19.4 m-80 -132.4 168.28 18.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.899 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 606' ' ' LEU . . . . . 0.606 HD23 ' N ' ' A' ' 607' ' ' PHE . 2.9 tt -138.83 128.79 25.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.943 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 607' ' ' PHE . . . . . 0.606 ' N ' HD23 ' A' ' 606' ' ' LEU . 12.3 t80 -112.57 115.37 28.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 608' ' ' GLU . . . . . 0.463 ' CD ' HD22 ' A' ' 606' ' ' LEU . 20.1 mp0 -103.89 149.39 25.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.894 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 609' ' ' ILE . . . . . 0.541 HD11 ' CE2' ' A' ' 607' ' ' PHE . 87.7 mt -148.78 114.02 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.129 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 610' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -120.17 143.02 48.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.814 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 17.0 mm -107.12 126.57 63.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.108 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 612' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -75.79 -67.05 0.71 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.903 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 613' ' ' LYS . . . . . . . . . . . . . 17.4 pttt -170.61 178.84 3.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.89 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 614' ' ' VAL . . . . . . . . . . . . . 88.0 t -126.46 112.2 28.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.147 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 615' ' ' THR . . . . . . . . . . . . . 25.9 m -87.5 140.18 29.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.177 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 616' ' ' PHE . . . . . 0.522 ' CD1' HG11 ' A' ' 620' ' ' VAL . 18.3 m-85 -110.64 157.99 19.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.942 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 1.3 t -112.98 172.82 6.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 618' ' ' SER . . . . . . . . . . . . . 23.4 p -49.18 -57.29 6.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.855 -179.812 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 619' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -45.29 -36.19 3.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.899 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 620' ' ' VAL . . . . . 0.62 HG21 ' O ' ' A' ' 726' ' ' PHE . 5.6 t -77.71 -41.67 28.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.13 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 621' ' ' LEU . . . . . . . . . . . . . 93.0 mt -61.97 -46.61 88.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 622' ' ' GLN . . . . . . . . . . . . . 60.8 mt-30 -56.64 -40.34 75.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.953 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -50.24 -29.62 9.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.058 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 2.7 t -134.19 -164.7 1.54 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.849 -179.771 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 625' ' ' GLY . . . . . . . . . . . . . . . -117.22 -140.94 6.79 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.523 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 626' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -101.81 34.62 2.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.901 0.381 . . . . 0.0 110.871 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 627' ' ' LYS . . . . . 0.457 ' O ' ' C ' ' A' ' 628' ' ' GLU . 9.1 pttp -100.57 107.95 19.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 628' ' ' GLU . . . . . 0.457 ' C ' ' O ' ' A' ' 627' ' ' LYS . 51.0 mt-10 -33.55 96.65 0.1 Allowed Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.64 0.733 . . . . 0.0 110.908 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 629' ' ' PRO . . . . . 0.506 ' CD ' HD22 ' A' ' 651' ' ' LEU . 54.0 Cg_endo -69.73 113.52 3.4 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.701 2.267 . . . . 0.0 112.355 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 630' ' ' VAL . . . . . 0.644 HG22 ' HG2' ' A' ' 649' ' ' ARG . 10.7 t -80.07 116.02 23.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.146 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 631' ' ' THR . . . . . 0.703 ' O ' HG23 ' A' ' 647' ' ' VAL . 33.8 p -144.38 175.07 10.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.14 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 632' ' ' PHE . . . . . . . . . . . . . 27.7 p90 -167.54 152.0 6.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.868 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 633' ' ' CYS . . . . . . . . . . . . . 63.4 m -95.09 152.49 18.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 634' ' ' THR . . . . . . . . . . . . . 2.5 p -150.08 128.89 12.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.16 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 635' ' ' TYR . . . . . 0.503 ' CD1' HD12 ' A' ' 680' ' ' LEU . 15.2 p90 -168.83 165.72 11.66 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.911 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 636' ' ' ALA . . . . . 0.498 ' HB2' HD22 ' A' ' 642' ' ' LEU . . . -130.05 153.73 48.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.137 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 637' ' ' PHE . . . . . 0.483 ' CD1' ' HB2' ' A' ' 638' ' ' TYR . 39.4 t80 -127.42 134.68 49.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.836 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 638' ' ' TYR . . . . . 0.567 ' HB3' ' CD2' ' A' ' 640' ' ' PHE . 4.2 t80 63.45 28.87 15.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.922 -179.867 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 639' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 59.01 34.58 23.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.888 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 640' ' ' PHE . . . . . 0.567 ' CD2' ' HB3' ' A' ' 638' ' ' TYR . 10.2 m-85 -94.37 174.67 7.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -48.76 129.99 17.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.868 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 642' ' ' LEU . . . . . 0.498 HD22 ' HB2' ' A' ' 636' ' ' ALA . 0.6 OUTLIER -57.95 110.6 0.95 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.9 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 643' ' ' GLN . . . . . . . . . . . . . 2.9 tp60 -79.53 125.15 29.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 644' ' ' THR . . . . . . . . . . . . . 50.0 m -100.04 130.17 46.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.116 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 645' ' ' THR . . . . . . . . . . . . . 57.7 p -89.23 152.8 48.33 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.584 0.706 . . . . 0.0 111.102 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 646' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 115.79 4.25 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.692 2.262 . . . . 0.0 112.387 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 647' ' ' VAL . . . . . 0.703 HG23 ' O ' ' A' ' 631' ' ' THR . 7.4 p -71.05 141.64 16.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.138 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 57.8 t -138.02 140.78 39.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.103 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 649' ' ' ARG . . . . . 0.644 ' HG2' HG22 ' A' ' 630' ' ' VAL . 40.7 mtm180 -85.55 124.77 32.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.847 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 650' ' ' GLY . . . . . 0.402 ' N ' ' HB3' ' A' ' 628' ' ' GLU . . . 147.27 159.18 8.2 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.481 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 651' ' ' LEU . . . . . 0.506 HD22 ' CD ' ' A' ' 629' ' ' PRO . 4.1 mm? -64.36 -59.44 4.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.888 0.375 . . . . 0.0 110.916 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 652' ' ' HIS . . . . . . . . . . . . . 1.6 m80 -113.33 80.99 4.79 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.615 0.721 . . . . 0.0 110.875 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 653' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 161.91 44.11 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.682 2.255 . . . . 0.0 112.354 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -125.66 75.02 1.45 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.896 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 655' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -45.35 -62.39 1.29 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.91 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 6.1 m120 61.86 35.68 16.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.893 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 657' ' ' PHE . . . . . . . . . . . . . 11.5 t80 -95.1 146.22 24.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 13.5 m -121.39 144.76 48.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.155 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 17.0 m -117.83 149.31 41.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.825 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -153.05 128.89 10.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.921 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 661' ' ' TYR . . . . . . . . . . . . . 75.2 m-85 -154.34 135.65 14.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.955 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 662' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -78.91 109.96 13.67 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.939 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 663' ' ' VAL . . . . . 0.535 HG23 ' O ' ' A' ' 663' ' ' VAL . 25.6 m -128.36 119.96 51.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.149 179.824 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 664' ' ' HIS . . . . . . . . . . . . . 17.3 t60 -98.68 98.33 9.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 665' ' ' VAL . . . . . . . . . . . . . 2.5 p -175.11 137.67 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.14 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 666' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -132.55 -69.35 0.58 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 667' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -46.06 -42.71 13.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 72.6 mt -84.85 -14.87 46.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.927 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 669' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -77.55 -25.32 50.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.916 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 670' ' ' LEU . . . . . . . . . . . . . 24.8 mt -84.75 -67.94 0.76 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.901 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 671' ' ' GLN . . . . . . . . . . . . . 20.5 pt20 -45.27 -25.91 0.44 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.925 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 672' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -71.13 -41.24 70.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 673' ' ' ILE . . . . . 0.562 HD13 HG21 ' A' ' 703' ' ' ILE . 97.1 mt -68.12 -27.62 37.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.139 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 674' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 -86.02 -54.24 4.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 675' ' ' LYS . . . . . . . . . . . . . 26.8 mtpp -58.32 -70.3 0.15 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 676' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -104.11 170.27 8.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.927 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 10.3 p -139.88 172.13 13.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.176 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 678' ' ' ILE . . . . . 0.473 ' O ' ' N ' ' A' ' 698' ' ' LEU . 5.2 mp -89.31 142.93 12.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.156 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 22.0 m -116.3 101.2 8.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.154 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 680' ' ' LEU . . . . . 0.591 HD13 HD11 ' A' ' 698' ' ' LEU . 4.9 tt -109.62 116.31 31.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 681' ' ' GLU . . . . . 0.452 ' HB2' ' CE1' ' A' ' 683' ' ' HIS . 9.3 mt-10 -110.99 158.8 18.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 682' ' ' VAL . . . . . . . . . . . . . 64.1 t -122.09 98.24 5.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.17 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 683' ' ' HIS . . . . . 0.687 ' ND1' HG23 ' A' ' 692' ' ' THR . 2.9 m-70 -93.35 149.63 21.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.84 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 684' ' ' GLN . . . . . 0.423 ' HA ' HG22 ' A' ' 631' ' ' THR . 15.5 mt-30 -90.03 159.56 16.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -123.67 102.49 7.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.146 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 686' ' ' TYR . . . . . 0.433 ' O ' ' C ' ' A' ' 687' ' ' SER . 1.9 m-85 -101.23 168.33 9.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.973 -179.874 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 687' ' ' SER . . . . . 0.501 ' O ' ' CG2' ' A' ' 688' ' ' THR . 3.9 m -35.29 100.25 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 688' ' ' THR . . . . . 0.501 ' CG2' ' O ' ' A' ' 687' ' ' SER . 8.1 t 44.6 48.78 8.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.135 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 689' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -139.76 159.42 42.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.919 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 690' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -147.44 117.54 7.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.957 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 691' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -149.25 150.99 33.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 692' ' ' THR . . . . . 0.687 HG23 ' ND1' ' A' ' 683' ' ' HIS . 27.6 m -92.14 140.27 29.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.159 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 693' ' ' ILE . . . . . 0.471 HG13 ' N ' ' A' ' 694' ' ' ALA . 6.5 pt -129.53 -32.05 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.066 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 694' ' ' ALA . . . . . 0.471 ' N ' HG13 ' A' ' 693' ' ' ILE . . . -124.81 155.02 40.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.104 179.823 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 695' ' ' ALA . . . . . 0.437 ' CB ' ' HG2' ' A' ' 681' ' ' GLU . . . -161.14 124.95 3.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.067 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 696' ' ' CYS . . . . . 0.526 ' HB3' HD23 ' A' ' 716' ' ' LEU . 11.8 p -143.05 165.57 27.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.836 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 697' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -114.05 118.52 34.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 698' ' ' LEU . . . . . 0.591 HD11 HD13 ' A' ' 680' ' ' LEU . 21.2 mt -80.15 116.91 20.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 699' ' ' LYS . . . . . . . . . . . . . 8.0 ptpt -138.99 132.28 29.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.868 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 700' ' ' PHE . . . . . 0.533 ' HB3' ' CZ ' ' A' ' 733' ' ' PHE . 2.5 m-85 -106.81 124.88 50.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.869 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 701' ' ' HIS . . . . . . . . . . . . . 28.4 m-70 -88.42 -66.53 0.91 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.858 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 702' ' ' GLU . . . . . 0.704 ' CB ' HG21 ' A' ' 710' ' ' ILE . 5.0 mp0 -48.71 -32.66 8.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.85 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 703' ' ' ILE . . . . . 0.562 HG21 HD13 ' A' ' 673' ' ' ILE . 0.1 OUTLIER -47.65 -37.33 5.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.146 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 704' ' ' LEU . . . . . 0.521 HD21 ' CG2' ' A' ' 673' ' ' ILE . 10.7 mt -69.85 -51.46 33.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 179.854 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 705' ' ' GLU . . . . . 0.453 ' HG3' ' N ' ' A' ' 706' ' ' LYS . 4.0 tp10 -73.1 -62.99 1.27 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.895 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 706' ' ' LYS . . . . . 0.466 ' HG3' ' CD1' ' A' ' 710' ' ' ILE . 9.3 ptmt -105.39 161.56 14.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.877 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 707' ' ' SER . . . . . . . . . . . . . 3.2 m -141.94 151.61 42.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 708' ' ' GLY . . . . . . . . . . . . . . . 116.84 -108.51 1.76 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.502 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 709' ' ' ARG . . . . . . . . . . . . . 1.8 ptt180 -104.06 92.03 4.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.849 0.356 . . . . 0.0 110.878 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 710' ' ' ILE . . . . . 0.704 HG21 ' CB ' ' A' ' 702' ' ' GLU . 11.9 mt -124.24 121.4 61.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.117 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 711' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -80.35 127.66 32.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 712' ' ' CYS . . . . . . . . . . . . . 3.5 m -149.45 169.72 20.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 713' ' ' THR . . . . . . . . . . . . . 21.9 p -150.35 166.41 30.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.173 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 714' ' ' ALA . . . . . . . . . . . . . . . -132.03 143.52 50.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.121 179.828 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 715' ' ' SER . . . . . . . . . . . . . 89.1 p -91.11 148.83 22.1 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.851 -179.762 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 716' ' ' LEU . . . . . 0.526 HD23 ' HB3' ' A' ' 696' ' ' CYS . 48.4 mt -110.52 143.88 40.2 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.902 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 717' ' ' ILE . . . . . 0.448 HD12 ' C ' ' A' ' 716' ' ' LEU . 4.9 mp -134.75 118.32 25.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.123 179.822 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 718' ' ' GLY . . . . . . . . . . . . . . . -57.05 145.95 36.8 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.44 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 719' ' ' THR . . . . . . . . . . . . . 14.1 p -71.57 -73.64 0.18 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.821 0.343 . . . . 0.0 111.11 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 720' ' ' LYS . . . . . . . . . . . . . 8.3 pttt -77.81 -47.49 18.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.903 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 721' ' ' GLY . . . . . . . . . . . . . . . -60.11 -35.81 88.67 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.491 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 722' ' ' ASP . . . . . . . . . . . . . 7.9 t0 65.67 50.4 1.61 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.841 0.353 . . . . 0.0 110.888 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 723' ' ' ILE . . . . . 0.485 HG22 ' N ' ' A' ' 726' ' ' PHE . 91.5 mt -99.63 107.2 44.55 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.624 0.726 . . . . 0.0 111.146 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 724' ' ' PRO . . . . . 0.424 ' HD2' ' HA ' ' A' ' 723' ' ' ILE . 53.5 Cg_endo -69.82 -27.28 26.39 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.663 2.242 . . . . 0.0 112.293 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 725' ' ' ASN . . . . . . . . . . . . . 55.6 m-20 -101.18 25.64 7.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.856 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 726' ' ' PHE . . . . . 0.62 ' O ' HG21 ' A' ' 620' ' ' VAL . 20.8 t80 -51.44 -35.89 41.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.904 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 727' ' ' GLY . . . . . . . . . . . . . . . 155.24 167.87 17.54 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.496 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 728' ' ' THR . . . . . . . . . . . . . 1.6 m -121.19 147.12 46.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.814 0.34 . . . . 0.0 111.171 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 729' ' ' VAL . . . . . . . . . . . . . 13.9 p -108.2 142.3 21.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.147 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -109.13 136.62 48.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 731' ' ' TYR . . . . . . . . . . . . . 5.3 p90 -164.73 169.09 17.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 732' ' ' TRP . . . . . . . . . . . . . 32.9 p-90 -147.24 128.0 14.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.917 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 733' ' ' PHE . . . . . 0.533 ' CZ ' ' HB3' ' A' ' 700' ' ' PHE . 23.3 p90 -109.78 157.84 18.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.893 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 734' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.21 124.78 5.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.868 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 735' ' ' LEU . . . . . . . . . . . . . 34.5 tp -119.55 113.92 21.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.95 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 736' ' ' ARG . . . . . . . . . . . . . 19.2 mtm180 -143.42 163.94 31.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.91 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 737' ' ' VAL . . . . . . . . . . . . . 11.9 p -61.52 144.4 13.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.144 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 738' ' ' SER . . . . . . . . . . . . . 24.5 t . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.829 -179.847 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 588' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 8.4 t -154.59 160.8 41.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.889 0.376 . . . . 0.0 110.86 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 590' ' ' SER . . . . . . . . . . . . . 3.5 m -151.19 159.8 44.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.835 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 591' ' ' GLY . . . . . . . . . . . . . . . 155.04 -165.72 32.3 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.498 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 40.8 t -51.68 118.0 3.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.888 0.375 . . . . 0.0 110.848 -179.728 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 58.0 m -158.54 174.54 14.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.867 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 594' ' ' GLY . . . . . . . . . . . . . . . -141.82 160.27 27.02 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.492 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 595' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -144.3 135.56 25.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.767 0.317 . . . . 0.0 110.886 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 596' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -132.79 114.68 14.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.865 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 597' ' ' THR . . . . . . . . . . . . . 7.3 t -159.22 155.37 26.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.135 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 598' ' ' ILE . . . . . . . . . . . . . 41.4 mm -93.28 -64.79 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.169 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 599' ' ' HIS . . . . . . . . . . . . . 12.8 t-80 -112.1 128.17 56.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.862 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 600' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -71.37 160.95 31.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.952 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 601' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -63.49 172.01 2.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 602' ' ' ARG . . . . . . . . . . . . . 26.7 mmm180 -75.86 101.47 5.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.835 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 603' ' ' GLY . . . . . . . . . . . . . . . -175.31 179.5 46.51 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.509 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 604' ' ' GLU . . . . . 0.603 ' HB3' HD21 ' A' ' 662' ' ' LEU . 21.0 mm-40 -72.0 145.61 48.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.809 0.338 . . . . 0.0 110.871 -179.823 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 605' ' ' ASN . . . . . . . . . . . . . 88.7 m-20 -120.5 131.63 54.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.92 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 606' ' ' LEU . . . . . . . . . . . . . 6.0 tp -110.45 119.16 38.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.946 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 607' ' ' PHE . . . . . 0.514 ' HE1' HD11 ' A' ' 609' ' ' ILE . 12.4 t80 -99.5 108.27 20.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.875 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 608' ' ' GLU . . . . . 0.402 ' HG2' ' CB ' ' A' ' 660' ' ' GLN . 3.5 mt-10 -109.88 147.72 32.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 609' ' ' ILE . . . . . 0.514 HD11 ' HE1' ' A' ' 607' ' ' PHE . 69.5 mt -139.31 109.11 3.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.113 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 610' ' ' HIS . . . . . 0.433 ' HB3' ' CE2' ' A' ' 732' ' ' TRP . 0.3 OUTLIER -108.19 118.7 37.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 179.883 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 12.6 mm -97.52 114.91 35.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.115 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 612' ' ' ASN . . . . . 0.412 ' CG ' ' HD3' ' A' ' 613' ' ' LYS . 33.4 t-20 -63.26 -67.72 0.4 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.882 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 613' ' ' LYS . . . . . 0.412 ' HD3' ' CG ' ' A' ' 612' ' ' ASN . 0.0 OUTLIER -170.17 178.65 3.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.898 179.93 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 614' ' ' VAL . . . . . 0.448 HG23 ' HE2' ' A' ' 655' ' ' TYR . 75.6 t -124.46 118.11 52.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.106 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 615' ' ' THR . . . . . 0.436 HG22 ' N ' ' A' ' 616' ' ' PHE . 7.4 m -91.15 159.2 16.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.15 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 616' ' ' PHE . . . . . 0.48 ' CG ' HG11 ' A' ' 620' ' ' VAL . 21.7 m-85 -126.56 166.4 17.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.883 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 1.1 t -100.91 157.94 16.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.873 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 618' ' ' SER . . . . . 0.509 ' HA ' HD12 ' A' ' 621' ' ' LEU . 94.4 p -43.05 -28.66 0.29 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.9 -179.826 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 619' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -72.02 -50.97 24.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.886 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 620' ' ' VAL . . . . . 0.48 HG11 ' CG ' ' A' ' 616' ' ' PHE . 4.7 t -67.81 -36.26 75.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.127 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 621' ' ' LEU . . . . . 0.509 HD12 ' HA ' ' A' ' 618' ' ' SER . 88.7 mt -56.23 -47.03 79.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.851 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 622' ' ' GLN . . . . . . . . . . . . . 55.7 mm-40 -79.69 -48.54 13.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.881 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -47.85 -30.65 4.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.087 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 2.7 t -42.44 -71.41 0.08 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 625' ' ' GLY . . . . . . . . . . . . . . . 137.09 30.0 0.28 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.463 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 626' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 53.41 30.23 10.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.951 0.405 . . . . 0.0 110.874 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 29.4 mtmm -142.11 125.32 16.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 628' ' ' GLU . . . . . 0.405 ' HA ' ' HD2' ' A' ' 629' ' ' PRO . 13.7 mt-10 -37.93 99.8 0.19 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.613 0.72 . . . . 0.0 110.879 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 629' ' ' PRO . . . . . 0.599 ' HD2' HD22 ' A' ' 651' ' ' LEU . 53.8 Cg_endo -69.73 131.7 21.83 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.74 2.293 . . . . 0.0 112.37 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 630' ' ' VAL . . . . . . . . . . . . . 2.4 t -109.37 120.54 60.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.161 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 631' ' ' THR . . . . . . . . . . . . . 9.7 p -139.14 167.67 21.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.172 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 632' ' ' PHE . . . . . 0.641 ' HE1' ' HB2' ' A' ' 685' ' ' ALA . 45.3 p90 -153.05 145.16 23.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.886 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 633' ' ' CYS . . . . . 0.69 ' SG ' HG21 ' A' ' 645' ' ' THR . 0.5 OUTLIER -109.46 163.65 13.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.88 -179.921 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 634' ' ' THR . . . . . . . . . . . . . 43.6 p -149.03 153.79 38.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.14 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 635' ' ' TYR . . . . . 0.414 ' C ' ' CD1' ' A' ' 635' ' ' TYR . 5.3 p90 -166.77 165.99 16.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.931 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 636' ' ' ALA . . . . . 0.784 ' HB2' HD12 ' A' ' 642' ' ' LEU . . . -143.75 133.96 24.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.109 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 637' ' ' PHE . . . . . 0.571 ' CD2' ' HB2' ' A' ' 638' ' ' TYR . 63.3 t80 -110.33 149.17 30.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.862 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 638' ' ' TYR . . . . . 0.571 ' HB2' ' CD2' ' A' ' 637' ' ' PHE . 3.3 t80 46.97 33.74 2.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 639' ' ' ASP . . . . . . . . . . . . . 7.5 t0 53.1 40.72 31.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.875 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 640' ' ' PHE . . . . . 0.445 ' CD2' ' HB3' ' A' ' 638' ' ' TYR . 5.5 m-85 -95.25 -174.98 3.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.866 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -61.34 127.18 30.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.862 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 642' ' ' LEU . . . . . 0.784 HD12 ' HB2' ' A' ' 636' ' ' ALA . 3.4 tp -65.54 141.88 58.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.931 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 643' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -114.5 132.69 56.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 644' ' ' THR . . . . . . . . . . . . . 59.9 m -95.11 118.13 31.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.11 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 645' ' ' THR . . . . . 0.69 HG21 ' SG ' ' A' ' 633' ' ' CYS . 46.8 p -58.0 153.27 35.07 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.562 0.696 . . . . 0.0 111.169 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 646' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 121.62 8.3 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.713 2.275 . . . . 0.0 112.324 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 647' ' ' VAL . . . . . . . . . . . . . 26.4 t -69.04 134.38 30.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.119 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 24.2 t -148.65 141.41 18.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.114 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 649' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -90.68 147.39 23.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.837 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 650' ' ' GLY . . . . . . . . . . . . . . . 135.52 -176.74 19.93 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.462 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 651' ' ' LEU . . . . . 0.599 HD22 ' HD2' ' A' ' 629' ' ' PRO . 4.2 mm? -94.81 -47.42 6.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.879 0.371 . . . . 0.0 110.964 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 652' ' ' HIS . . . . . 0.444 ' CE1' ' HB3' ' A' ' 651' ' ' LEU . 0.2 OUTLIER -129.45 70.05 81.62 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.574 0.702 . . . . 0.0 110.848 179.846 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 653' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 165.42 30.97 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.672 2.248 . . . . 0.0 112.373 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -117.09 80.14 1.44 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 655' ' ' TYR . . . . . 0.448 ' HE2' HG23 ' A' ' 614' ' ' VAL . 66.8 m-85 -40.51 -37.82 0.76 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.88 -179.84 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 44.64 38.49 2.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.874 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 657' ' ' PHE . . . . . . . . . . . . . 56.5 t80 -96.2 130.23 43.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 13.6 m -126.78 107.47 10.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.139 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 1.3 t -106.56 137.18 45.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 660' ' ' GLN . . . . . 0.402 ' CB ' ' HG2' ' A' ' 608' ' ' GLU . 3.8 pt20 -147.13 145.24 29.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.895 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 661' ' ' TYR . . . . . 0.528 ' CE1' ' CD2' ' A' ' 637' ' ' PHE . 0.6 OUTLIER -149.09 128.36 12.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.932 -179.897 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 662' ' ' LEU . . . . . 0.603 HD21 ' HB3' ' A' ' 604' ' ' GLU . 2.2 tm? -72.86 99.29 2.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.909 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 663' ' ' VAL . . . . . . . . . . . . . 10.2 m -115.76 131.92 66.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.116 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 664' ' ' HIS . . . . . 0.522 ' CG ' ' O ' ' A' ' 664' ' ' HIS . 5.0 p80 -100.72 107.1 18.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.853 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 665' ' ' VAL . . . . . 0.625 HG13 ' HD2' ' A' ' 669' ' ' PHE . 7.6 p -174.58 136.42 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.158 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 666' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -124.43 -68.76 0.84 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.915 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 667' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -56.74 -57.03 14.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.882 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 22.1 mt -62.75 -17.47 61.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 669' ' ' PHE . . . . . 0.625 ' HD2' HG13 ' A' ' 665' ' ' VAL . 1.7 t80 -70.96 -63.19 1.15 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 670' ' ' LEU . . . . . . . . . . . . . 86.2 mt -54.02 -50.48 66.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.908 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 671' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -51.65 -42.23 61.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.916 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 672' ' ' TYR . . . . . 0.463 ' C ' ' CD1' ' A' ' 672' ' ' TYR . 1.7 t80 -60.31 -47.88 84.14 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.899 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 673' ' ' ILE . . . . . 0.41 HD12 HG21 ' A' ' 703' ' ' ILE . 7.5 mm -48.92 -33.03 5.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.147 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 674' ' ' GLN . . . . . 0.527 ' HG2' HD21 ' A' ' 704' ' ' LEU . 20.9 mm100 -90.47 -62.8 1.38 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.923 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 675' ' ' LYS . . . . . . . . . . . . . 39.5 mtpt -38.34 -48.67 1.36 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.917 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 676' ' ' ASN . . . . . . . . . . . . . 15.3 p-10 -147.95 145.82 28.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.848 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 77.0 p -111.79 175.48 5.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.128 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 678' ' ' ILE . . . . . 0.431 ' O ' ' N ' ' A' ' 698' ' ' LEU . 4.8 mp -87.86 133.66 29.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.134 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 63.1 m -109.04 107.4 17.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.155 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 680' ' ' LEU . . . . . 0.702 HD23 ' O ' ' A' ' 680' ' ' LEU . 7.4 tt -114.31 101.68 9.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.902 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 681' ' ' GLU . . . . . 0.473 ' HG2' ' CB ' ' A' ' 695' ' ' ALA . 7.9 mt-10 -95.97 147.56 23.56 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 682' ' ' VAL . . . . . . . . . . . . . 77.0 t -109.18 106.1 20.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.139 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 683' ' ' HIS . . . . . 0.638 ' NE2' ' CE2' ' A' ' 632' ' ' PHE . 0.3 OUTLIER -104.89 147.3 27.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.86 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 684' ' ' GLN . . . . . 0.453 ' HB3' ' CE1' ' A' ' 686' ' ' TYR . 5.3 tt0 -86.75 123.83 32.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.903 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 685' ' ' ALA . . . . . 0.641 ' HB2' ' HE1' ' A' ' 632' ' ' PHE . . . -95.8 104.93 16.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.115 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 686' ' ' TYR . . . . . 0.453 ' CE1' ' HB3' ' A' ' 684' ' ' GLN . 6.2 m-85 -89.67 164.41 14.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.928 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 687' ' ' SER . . . . . . . . . . . . . 94.3 p -77.74 5.91 8.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.896 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 688' ' ' THR . . . . . . . . . . . . . 2.4 p -131.59 -53.9 1.01 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.135 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 689' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -130.54 178.33 6.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 690' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -141.72 124.89 16.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 691' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -141.71 155.12 45.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.886 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 692' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -90.03 143.25 26.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.125 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 693' ' ' ILE . . . . . 0.568 ' H ' HD13 ' A' ' 693' ' ' ILE . 0.3 OUTLIER -132.86 -1.2 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.163 179.911 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -153.25 151.54 30.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.095 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 695' ' ' ALA . . . . . 0.473 ' CB ' ' HG2' ' A' ' 681' ' ' GLU . . . -160.37 125.86 3.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.08 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 696' ' ' CYS . . . . . 0.41 ' SG ' HD23 ' A' ' 716' ' ' LEU . 8.1 p -132.12 171.46 13.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.913 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 697' ' ' GLN . . . . . . . . . . . . . 11.4 mm100 -112.36 111.46 22.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.935 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 698' ' ' LEU . . . . . 0.431 ' N ' ' O ' ' A' ' 678' ' ' ILE . 9.7 mt -85.23 113.24 21.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.891 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 699' ' ' LYS . . . . . . . . . . . . . 7.3 ptpp? -146.2 144.38 29.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 700' ' ' PHE . . . . . 0.471 ' CD1' ' CD1' ' A' ' 733' ' ' PHE . 3.7 m-85 -111.08 124.89 53.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 701' ' ' HIS . . . . . . . . . . . . . 6.5 m80 -88.99 -51.09 5.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.831 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 702' ' ' GLU . . . . . 0.738 ' CB ' HG21 ' A' ' 710' ' ' ILE . 1.4 mp0 -50.27 -43.12 53.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.898 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 703' ' ' ILE . . . . . 0.41 HG21 HD12 ' A' ' 673' ' ' ILE . 9.9 tt -48.13 -27.06 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.116 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 704' ' ' LEU . . . . . 0.527 HD21 ' HG2' ' A' ' 674' ' ' GLN . 12.8 mt -65.32 -36.07 82.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 705' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -107.26 -59.08 1.87 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.884 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 706' ' ' LYS . . . . . . . . . . . . . 13.0 mttt -87.54 179.47 6.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.903 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 707' ' ' SER . . . . . . . . . . . . . 5.1 m -159.48 115.8 2.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 708' ' ' GLY . . . . . . . . . . . . . . . 143.88 -149.11 21.11 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.526 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 709' ' ' ARG . . . . . . . . . . . . . 26.3 ttt180 -70.71 84.79 0.64 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.814 0.34 . . . . 0.0 110.877 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 710' ' ' ILE . . . . . 0.738 HG21 ' CB ' ' A' ' 702' ' ' GLU . 12.6 mt -107.49 96.65 4.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.149 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 711' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -52.16 133.3 33.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.938 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 712' ' ' CYS . . . . . . . . . . . . . 2.2 t -159.39 166.98 29.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 713' ' ' THR . . . . . . . . . . . . . 16.6 p -145.2 166.81 24.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.168 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 714' ' ' ALA . . . . . 0.471 ' HB3' ' CG1' ' A' ' 729' ' ' VAL . . . -137.98 145.74 42.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.094 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 715' ' ' SER . . . . . . . . . . . . . 77.9 p -93.87 154.59 17.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.88 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 716' ' ' LEU . . . . . 0.41 HD23 ' SG ' ' A' ' 696' ' ' CYS . 17.1 mt -119.85 135.15 54.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 717' ' ' ILE . . . . . . . . . . . . . 3.8 mp -122.45 140.85 45.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.165 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 718' ' ' GLY . . . . . . . . . . . . . . . -75.94 134.88 16.81 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.471 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 719' ' ' THR . . . . . . . . . . . . . 77.7 p -68.88 -58.56 3.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.807 0.337 . . . . 0.0 111.122 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 720' ' ' LYS . . . . . 0.416 ' O ' ' CG ' ' A' ' 722' ' ' ASP . 2.2 mtmp? -88.89 -65.72 0.99 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.94 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 721' ' ' GLY . . . . . . . . . . . . . . . -45.93 -23.69 1.13 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.507 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 722' ' ' ASP . . . . . 0.416 ' CG ' ' O ' ' A' ' 720' ' ' LYS . 18.1 m-20 58.22 47.31 14.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.79 0.329 . . . . 0.0 110.87 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 723' ' ' ILE . . . . . 0.405 ' HA ' ' HD2' ' A' ' 724' ' ' PRO . 56.9 mt -98.0 106.83 37.1 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.65 0.738 . . . . 0.0 111.086 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 724' ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' A' ' 723' ' ' ILE . 54.1 Cg_endo -69.78 -16.23 37.36 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.709 2.273 . . . . 0.0 112.34 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 725' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -112.67 44.31 1.5 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.861 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 726' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -62.11 -52.58 63.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.869 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 727' ' ' GLY . . . . . . . . . . . . . . . 167.33 167.78 28.52 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.46 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 728' ' ' THR . . . . . . . . . . . . . 3.6 m -114.64 146.4 40.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.852 0.358 . . . . 0.0 111.155 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 729' ' ' VAL . . . . . 0.471 ' CG1' ' HB3' ' A' ' 714' ' ' ALA . 14.5 p -106.43 137.37 37.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.154 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -107.16 108.19 19.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 731' ' ' TYR . . . . . 0.422 ' C ' ' CD1' ' A' ' 731' ' ' TYR . 7.3 p90 -144.08 170.15 16.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.95 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 732' ' ' TRP . . . . . 0.433 ' CE2' ' HB3' ' A' ' 610' ' ' HIS . 64.5 p-90 -152.38 139.55 19.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.893 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 733' ' ' PHE . . . . . 0.471 ' CD1' ' CD1' ' A' ' 700' ' ' PHE . 10.3 p90 -113.38 161.99 16.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.909 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 734' ' ' ARG . . . . . 0.407 ' C ' ' HD3' ' A' ' 734' ' ' ARG . 0.0 OUTLIER -155.39 136.06 13.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 -179.916 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 735' ' ' LEU . . . . . . . . . . . . . 35.2 tp -138.59 105.25 5.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.938 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 736' ' ' ARG . . . . . . . . . . . . . 40.7 ttt85 -145.8 166.15 26.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 737' ' ' VAL . . . . . 0.581 ' O ' HG13 ' A' ' 737' ' ' VAL . 7.1 p -65.06 108.28 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.151 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 738' ' ' SER . . . . . . . . . . . . . 3.2 t -88.42 29.07 1.01 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.82 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 739' ' ' GLY . . . . . 0.558 ' H ' HG22 ' A' ' 737' ' ' VAL . . . -67.1 145.72 46.8 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.512 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 740' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 143.36 50.55 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.675 2.25 . . . . 0.0 112.324 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 6.6 m -122.9 165.52 16.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.866 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 41.3 m -89.89 87.18 6.85 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.859 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 743' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.485 -179.963 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 588' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 49.1 m 53.18 42.09 32.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.862 0.363 . . . . 0.0 110.833 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 590' ' ' SER . . . . . . . . . . . . . 11.0 m -85.79 96.33 9.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 591' ' ' GLY . . . . . . . . . . . . . . . 122.28 131.57 3.91 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.483 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 2.5 m -115.75 157.96 23.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.879 0.371 . . . . 0.0 110.823 -179.71 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 19.2 m -107.2 -62.19 1.45 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.852 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 594' ' ' GLY . . . . . . . . . . . . . . . 132.79 72.86 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.532 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 595' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -155.62 119.58 4.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.799 0.333 . . . . 0.0 110.883 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 596' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -93.32 89.42 6.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 597' ' ' THR . . . . . . . . . . . . . 81.0 p -127.68 125.71 40.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.089 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 598' ' ' ILE . . . . . . . . . . . . . 36.4 mt -90.01 118.85 36.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.149 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 599' ' ' HIS . . . . . . . . . . . . . 16.0 m80 -46.7 107.12 0.1 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.856 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 600' ' ' LEU . . . . . . . . . . . . . 4.2 mp -64.2 148.97 48.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 601' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -96.46 161.6 13.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 602' ' ' ARG . . . . . 0.406 ' H ' HG21 ' A' ' 737' ' ' VAL . 15.7 mmm180 -98.91 -50.38 4.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.845 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 603' ' ' GLY . . . . . . . . . . . . . . . 163.89 -62.09 0.25 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.53 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 604' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.79 149.07 23.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.872 0.368 . . . . 0.0 110.886 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 605' ' ' ASN . . . . . . . . . . . . . 62.7 m-20 -126.71 155.72 42.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 606' ' ' LEU . . . . . 0.729 HD11 ' OE1' ' A' ' 660' ' ' GLN . 7.9 tp -128.96 107.67 9.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.922 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 607' ' ' PHE . . . . . 0.484 ' CD2' ' CZ ' ' A' ' 637' ' ' PHE . 18.4 t80 -87.87 105.94 17.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.865 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 608' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -96.61 118.01 32.19 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.903 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 609' ' ' ILE . . . . . 0.424 HD11 ' CE1' ' A' ' 637' ' ' PHE . 63.1 mt -112.29 109.72 29.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.127 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 610' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -120.29 129.89 54.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 25.7 mm -89.74 127.56 42.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.151 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 612' ' ' ASN . . . . . . . . . . . . . 53.2 m-20 -78.88 -66.06 0.91 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.926 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 613' ' ' LYS . . . . . . . . . . . . . 5.8 ptmt -161.06 178.9 8.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.913 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 614' ' ' VAL . . . . . 0.491 HG23 ' CE1' ' A' ' 655' ' ' TYR . 68.8 t -133.11 123.58 48.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.156 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 615' ' ' THR . . . . . 0.44 HG22 ' N ' ' A' ' 616' ' ' PHE . 25.1 m -97.98 157.25 16.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.073 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 616' ' ' PHE . . . . . 0.51 ' CD1' HG11 ' A' ' 620' ' ' VAL . 63.7 m-85 -133.03 161.3 34.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 617' ' ' SER . . . . . 0.429 ' O ' ' C ' ' A' ' 618' ' ' SER . 1.1 t -108.14 153.92 22.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.856 -179.808 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 618' ' ' SER . . . . . 0.612 ' HA ' HD12 ' A' ' 621' ' ' LEU . 28.9 m -34.39 -62.24 0.35 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.833 -179.811 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 619' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -38.81 -44.89 1.08 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.834 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 620' ' ' VAL . . . . . 0.51 HG11 ' CD1' ' A' ' 616' ' ' PHE . 7.1 t -76.69 -42.77 34.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.141 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 621' ' ' LEU . . . . . 0.612 HD12 ' HA ' ' A' ' 618' ' ' SER . 36.2 mt -54.31 -50.15 68.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.922 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 622' ' ' GLN . . . . . . . . . . . . . 48.2 mm-40 -70.19 -42.52 72.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.902 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -44.01 -45.67 7.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.101 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 71.4 m -57.19 -58.4 8.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.846 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 625' ' ' GLY . . . . . . . . . . . . . . . 104.93 -145.17 15.88 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.467 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 626' ' ' ASP . . . . . . . . . . . . . 39.3 t0 -91.08 41.55 1.07 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.885 0.374 . . . . 0.0 110.883 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 46.4 pttt -145.28 135.07 23.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.863 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 90.6 mt-10 -63.05 119.92 56.58 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.631 0.729 . . . . 0.0 110.826 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 629' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 126.08 12.88 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.655 2.236 . . . . 0.0 112.355 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 630' ' ' VAL . . . . . 0.519 HG12 HG21 ' A' ' 647' ' ' VAL . 23.6 t -117.39 111.64 35.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.101 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 631' ' ' THR . . . . . 0.886 HG22 ' HA ' ' A' ' 684' ' ' GLN . 53.0 p -142.16 164.44 30.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.151 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 632' ' ' PHE . . . . . . . . . . . . . 17.4 p90 -133.36 167.6 20.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.868 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 633' ' ' CYS . . . . . 0.45 ' HB3' HD11 ' A' ' 680' ' ' LEU . 77.8 m -115.46 130.23 56.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.905 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 634' ' ' THR . . . . . . . . . . . . . 11.4 p -123.12 136.82 54.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.102 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 635' ' ' TYR . . . . . 0.77 ' CD2' HD12 ' A' ' 680' ' ' LEU . 6.5 p90 -169.57 147.82 3.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 636' ' ' ALA . . . . . . . . . . . . . . . -105.36 160.15 15.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.077 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 637' ' ' PHE . . . . . 0.484 ' CZ ' ' CD2' ' A' ' 607' ' ' PHE . 4.2 t80 -105.8 156.45 18.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.842 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 638' ' ' TYR . . . . . 0.59 ' O ' ' CD2' ' A' ' 640' ' ' PHE . 3.3 t80 -34.4 100.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.952 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 639' ' ' ASP . . . . . 0.403 ' OD2' ' CE1' ' A' ' 638' ' ' TYR . 2.5 m-20 60.28 54.77 3.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.858 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 640' ' ' PHE . . . . . 0.62 ' HZ ' HG12 ' A' ' 663' ' ' VAL . 80.7 m-85 -144.53 149.65 36.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.856 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.6 149.57 48.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 642' ' ' LEU . . . . . . . . . . . . . 2.5 tp -59.17 136.59 58.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.909 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 643' ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 -116.76 125.76 52.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 644' ' ' THR . . . . . . . . . . . . . 61.0 m -85.25 134.57 34.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.155 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 645' ' ' THR . . . . . . . . . . . . . 37.3 p -91.93 153.57 43.5 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.586 0.708 . . . . 0.0 111.145 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 646' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 108.7 2.15 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.651 2.234 . . . . 0.0 112.333 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 647' ' ' VAL . . . . . 0.633 HG23 ' O ' ' A' ' 631' ' ' THR . 10.9 p -68.81 150.66 10.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.165 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 98.7 t -142.16 142.41 27.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.119 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 649' ' ' ARG . . . . . . . . . . . . . 60.2 mtt180 -84.98 129.3 34.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 650' ' ' GLY . . . . . . . . . . . . . . . 138.9 162.08 9.0 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.465 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 651' ' ' LEU . . . . . 0.417 ' C ' ' HD3' ' A' ' 653' ' ' PRO . 4.2 mm? -68.06 -67.1 0.49 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.842 0.353 . . . . 0.0 110.918 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 652' ' ' HIS . . . . . . . . . . . . . 7.8 m80 -113.46 64.97 1.08 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.598 0.714 . . . . 0.0 110.824 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 653' ' ' PRO . . . . . 0.417 ' HD3' ' C ' ' A' ' 651' ' ' LEU . 53.8 Cg_endo -69.76 178.06 4.95 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.691 2.261 . . . . 0.0 112.317 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -120.58 108.91 14.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.901 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 655' ' ' TYR . . . . . 0.491 ' CE1' HG23 ' A' ' 614' ' ' VAL . 47.3 m-85 -75.57 -48.49 22.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.952 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 41.95 38.61 1.08 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.889 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 657' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -90.34 135.85 33.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 21.6 m -109.62 136.66 48.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.169 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 90.4 p -150.89 114.21 4.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.871 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 660' ' ' GLN . . . . . 0.729 ' OE1' HD11 ' A' ' 606' ' ' LEU . 3.2 pp0? -137.6 164.74 28.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.907 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 661' ' ' TYR . . . . . . . . . . . . . 92.3 m-85 -154.96 150.97 27.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.91 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 662' ' ' LEU . . . . . 0.401 ' HA ' HD12 ' A' ' 606' ' ' LEU . 0.3 OUTLIER -73.11 107.62 5.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.94 179.951 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 663' ' ' VAL . . . . . 0.62 HG12 ' HZ ' ' A' ' 640' ' ' PHE . 16.2 m -125.24 116.09 45.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.126 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 664' ' ' HIS . . . . . 0.695 ' O ' HG13 ' A' ' 665' ' ' VAL . 6.2 t-80 -103.02 104.74 14.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.877 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 665' ' ' VAL . . . . . 0.787 HG23 ' HD2' ' A' ' 669' ' ' PHE . 0.2 OUTLIER -165.88 144.13 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.151 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 666' ' ' ASN . . . . . . . . . . . . . 10.6 t30 -113.39 -67.4 1.0 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.845 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 667' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -75.57 -56.0 5.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.833 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -50.77 -28.76 9.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.876 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 669' ' ' PHE . . . . . 0.787 ' HD2' HG23 ' A' ' 665' ' ' VAL . 3.6 t80 -59.85 -66.83 0.45 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 670' ' ' LEU . . . . . 0.501 HD22 ' HA ' ' A' ' 704' ' ' LEU . 51.1 mt -61.63 -47.08 87.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.919 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 671' ' ' GLN . . . . . . . . . . . . . 63.2 mt-30 -47.95 -48.91 31.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.921 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 672' ' ' TYR . . . . . 0.41 ' CD1' ' C ' ' A' ' 672' ' ' TYR . 0.5 OUTLIER -58.82 -29.62 67.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 -179.87 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 673' ' ' ILE . . . . . 0.621 HD13 HG21 ' A' ' 703' ' ' ILE . 63.5 mt -77.1 -56.5 7.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.118 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 674' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -61.69 -34.61 76.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 675' ' ' LYS . . . . . . . . . . . . . 28.7 mtpp -78.11 -67.01 0.77 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.854 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 676' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -109.17 164.31 12.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.894 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 25.1 p -129.79 172.31 11.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.125 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 678' ' ' ILE . . . . . . . . . . . . . 5.2 mp -91.17 139.65 17.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.139 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 22.6 m -111.26 94.29 4.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.183 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 680' ' ' LEU . . . . . 0.905 HD13 HD11 ' A' ' 698' ' ' LEU . 6.7 tt -102.9 106.19 16.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 681' ' ' GLU . . . . . 0.562 ' CD ' ' HB1' ' A' ' 695' ' ' ALA . 2.1 mm-40 -98.19 148.01 24.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 682' ' ' VAL . . . . . . . . . . . . . 87.1 t -115.01 104.76 17.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.128 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 683' ' ' HIS . . . . . 0.603 ' N ' ' CD2' ' A' ' 683' ' ' HIS . 0.2 OUTLIER -94.85 149.81 20.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 179.926 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 684' ' ' GLN . . . . . 0.886 ' HA ' HG22 ' A' ' 631' ' ' THR . 4.6 tt0 -90.27 129.56 36.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.895 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -87.8 103.91 16.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.109 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 686' ' ' TYR . . . . . 0.448 ' CZ ' ' HB3' ' A' ' 684' ' ' GLN . 30.6 m-85 -91.92 167.35 12.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 687' ' ' SER . . . . . . . . . . . . . 2.7 m -53.93 -58.41 7.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.891 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 688' ' ' THR . . . . . . . . . . . . . 77.3 p -130.22 29.53 4.88 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.123 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 689' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -141.84 160.12 40.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.917 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 690' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -151.03 116.26 5.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.952 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 691' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -149.48 155.17 39.95 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.871 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 692' ' ' THR . . . . . . . . . . . . . 36.6 m -90.41 114.48 26.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.157 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 693' ' ' ILE . . . . . . . . . . . . . 14.6 pt -94.12 -28.11 4.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.118 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -134.75 155.02 51.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.106 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 695' ' ' ALA . . . . . 0.562 ' HB1' ' CD ' ' A' ' 681' ' ' GLU . . . -157.28 126.55 5.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.129 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 696' ' ' CYS . . . . . 0.493 ' N ' ' OE1' ' A' ' 681' ' ' GLU . 31.3 p -139.79 -177.38 4.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.853 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 697' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -136.06 125.66 25.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.929 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 698' ' ' LEU . . . . . 0.905 HD11 HD13 ' A' ' 680' ' ' LEU . 46.7 mt -84.18 128.87 34.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 699' ' ' LYS . . . . . . . . . . . . . 8.9 ptpt -148.08 138.07 22.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 700' ' ' PHE . . . . . 0.479 ' CD1' ' N ' ' A' ' 700' ' ' PHE . 0.2 OUTLIER -110.2 125.35 52.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.849 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 701' ' ' HIS . . . . . . . . . . . . . 36.0 m-70 -90.57 -57.74 2.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.853 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 702' ' ' GLU . . . . . 0.484 ' HB2' HG21 ' A' ' 710' ' ' ILE . 45.2 mt-10 -50.81 -35.02 30.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.903 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 703' ' ' ILE . . . . . 0.621 HG21 HD13 ' A' ' 673' ' ' ILE . 10.1 tt -47.32 -19.09 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.155 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 704' ' ' LEU . . . . . 0.621 HD22 HG23 ' A' ' 703' ' ' ILE . 2.5 mm? -79.13 -47.92 15.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 705' ' ' GLU . . . . . 0.478 ' HG3' ' N ' ' A' ' 706' ' ' LYS . 22.6 pt-20 -80.07 -47.0 15.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 706' ' ' LYS . . . . . 0.478 ' N ' ' HG3' ' A' ' 705' ' ' GLU . 6.6 ptpt -119.63 153.94 34.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 707' ' ' SER . . . . . . . . . . . . . 67.7 m -134.09 94.68 3.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.851 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 708' ' ' GLY . . . . . . . . . . . . . . . 160.28 -136.74 4.67 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.491 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 709' ' ' ARG . . . . . 0.414 ' C ' HG13 ' A' ' 710' ' ' ILE . 16.9 mtm180 -55.88 91.03 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.796 0.331 . . . . 0.0 110.884 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 710' ' ' ILE . . . . . 0.484 HG21 ' HB2' ' A' ' 702' ' ' GLU . 7.6 mt -137.58 139.51 43.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.118 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 711' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 -105.04 149.76 25.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.908 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 712' ' ' CYS . . . . . . . . . . . . . 16.7 m -159.49 169.66 23.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.87 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 713' ' ' THR . . . . . . . . . . . . . 12.6 p -148.63 163.91 35.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.148 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 714' ' ' ALA . . . . . 0.562 ' HB3' ' CG1' ' A' ' 729' ' ' VAL . . . -141.52 141.19 33.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.08 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 715' ' ' SER . . . . . . . . . . . . . 23.5 p -91.72 148.79 21.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 716' ' ' LEU . . . . . . . . . . . . . 21.1 mt -110.42 141.05 44.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.925 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 717' ' ' ILE . . . . . . . . . . . . . 5.1 mp -124.21 145.57 31.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.166 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 718' ' ' GLY . . . . . . . . . . . . . . . -83.51 129.1 8.91 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.515 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 719' ' ' THR . . . . . . . . . . . . . 46.7 p -59.24 -61.85 2.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.863 0.363 . . . . 0.0 111.111 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 720' ' ' LYS . . . . . . . . . . . . . 28.5 mttm -86.6 -56.5 3.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.919 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 721' ' ' GLY . . . . . . . . . . . . . . . -48.98 -19.59 1.53 Allowed Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.491 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 722' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 53.67 37.32 25.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.86 0.362 . . . . 0.0 110.919 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 723' ' ' ILE . . . . . . . . . . . . . 44.3 mt -93.16 113.68 60.64 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.633 0.73 . . . . 0.0 111.117 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 724' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -29.88 23.26 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.742 2.295 . . . . 0.0 112.317 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 725' ' ' ASN . . . . . . . . . . . . . 20.7 m-20 -99.59 38.29 1.46 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.894 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 726' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -46.74 -49.8 19.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.893 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 727' ' ' GLY . . . . . . . . . . . . . . . 176.37 -144.95 7.23 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.511 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 728' ' ' THR . . . . . . . . . . . . . 48.4 m -160.91 151.72 18.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.832 0.348 . . . . 0.0 111.147 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 729' ' ' VAL . . . . . 0.562 ' CG1' ' HB3' ' A' ' 714' ' ' ALA . 12.3 p -119.2 125.33 74.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.148 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -103.62 121.72 43.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.883 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 731' ' ' TYR . . . . . . . . . . . . . 51.1 p90 -157.03 164.65 37.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.881 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 732' ' ' TRP . . . . . . . . . . . . . 42.0 p-90 -126.3 158.15 36.54 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.958 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 733' ' ' PHE . . . . . 0.455 ' N ' ' CD1' ' A' ' 733' ' ' PHE . 1.1 p90 -146.97 127.55 14.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.897 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 734' ' ' ARG . . . . . . . . . . . . . 20.5 ttp180 -136.19 112.86 10.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.913 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 735' ' ' LEU . . . . . . . . . . . . . 12.8 tp -101.43 111.41 23.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.947 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 736' ' ' ARG . . . . . . . . . . . . . 50.2 mtt180 -145.04 161.15 40.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.837 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 737' ' ' VAL . . . . . 0.406 HG21 ' H ' ' A' ' 602' ' ' ARG . 14.6 p -52.43 145.68 2.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.151 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 738' ' ' SER . . . . . . . . . . . . . 35.9 t -126.35 157.52 38.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.912 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 739' ' ' GLY . . . . . . . . . . . . . . . -75.71 161.24 52.37 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.474 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 740' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 115.94 4.33 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.695 2.263 . . . . 0.0 112.34 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 8.0 t 44.59 43.26 6.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.846 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 7.4 t -88.36 115.9 26.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 743' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.474 -179.979 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 588' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 22.9 p -140.15 152.88 46.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.868 0.366 . . . . 0.0 110.88 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 590' ' ' SER . . . . . . . . . . . . . 4.2 t -99.7 -59.26 1.75 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.889 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 591' ' ' GLY . . . . . . . . . . . . . . . 152.25 -169.67 31.5 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.449 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 15.7 m -100.04 117.94 35.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.893 0.377 . . . . 0.0 110.865 -179.726 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 58.3 m -84.86 140.15 31.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.831 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 594' ' ' GLY . . . . . . . . . . . . . . . -109.53 97.19 1.02 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.499 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 595' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -130.63 140.87 50.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.752 0.311 . . . . 0.0 110.886 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 596' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -131.56 88.02 2.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.825 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 597' ' ' THR . . . . . . . . . . . . . 31.5 p -119.33 121.41 39.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.147 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 598' ' ' ILE . . . . . . . . . . . . . 38.6 mt -70.85 -59.6 3.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.17 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 599' ' ' HIS . . . . . . . . . . . . . 44.4 m-70 -92.73 123.92 36.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.8 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 600' ' ' LEU . . . . . 0.41 HD22 ' N ' ' A' ' 600' ' ' LEU . 2.7 mm? -91.41 177.37 6.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 601' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -93.03 166.44 12.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.882 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 602' ' ' ARG . . . . . . . . . . . . . 38.9 mtp180 -104.73 141.95 35.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.892 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 603' ' ' GLY . . . . . . . . . . . . . . . 150.85 -123.46 1.53 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.485 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 604' ' ' GLU . . . . . 0.749 ' HG2' HD11 ' A' ' 662' ' ' LEU . 4.8 mt-10 -78.57 145.76 34.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.867 0.365 . . . . 0.0 110.854 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 605' ' ' ASN . . . . . 0.47 ' O ' HG23 ' A' ' 663' ' ' VAL . 9.7 m120 -129.34 128.51 43.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.851 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 606' ' ' LEU . . . . . . . . . . . . . 18.2 tp -110.84 115.36 29.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.931 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 607' ' ' PHE . . . . . 0.499 ' HD1' HD13 ' A' ' 735' ' ' LEU . 10.3 t80 -106.13 103.69 13.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 608' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -107.35 126.41 52.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 609' ' ' ILE . . . . . . . . . . . . . 20.8 mt -116.21 120.04 63.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.124 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 610' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -121.82 131.04 53.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.842 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 30.9 mm -101.98 111.39 31.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.101 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 612' ' ' ASN . . . . . . . . . . . . . 15.3 t-20 -66.09 -67.14 0.47 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.949 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 613' ' ' LYS . . . . . . . . . . . . . 21.1 pttt -170.23 170.95 7.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.893 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 614' ' ' VAL . . . . . . . . . . . . . 14.6 t -113.6 134.65 55.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.138 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 615' ' ' THR . . . . . . . . . . . . . 8.6 m -102.3 125.52 49.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.177 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 616' ' ' PHE . . . . . 0.517 ' CD2' HG21 ' A' ' 620' ' ' VAL . 3.8 m-30 -99.03 139.43 34.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 617' ' ' SER . . . . . 0.431 ' O ' HG22 ' A' ' 620' ' ' VAL . 1.2 t -90.36 153.46 20.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.869 -179.801 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 618' ' ' SER . . . . . . . . . . . . . 36.8 p -38.15 -38.93 0.37 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.863 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 619' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -41.64 -66.86 0.3 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.886 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 620' ' ' VAL . . . . . 0.517 HG21 ' CD2' ' A' ' 616' ' ' PHE . 22.0 m -64.13 -38.92 83.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.15 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 621' ' ' LEU . . . . . 0.41 ' CD2' ' CD2' ' A' ' 651' ' ' LEU . 18.5 mt -49.3 -46.52 46.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.941 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 622' ' ' GLN . . . . . . . . . . . . . 70.3 mt-30 -73.03 -63.94 1.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.919 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -43.32 -37.44 2.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.127 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 1.2 t -78.74 -62.68 1.62 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.868 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 625' ' ' GLY . . . . . . . . . . . . . . . 110.02 -155.33 16.15 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.501 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 626' ' ' ASP . . . . . 0.41 ' CG ' ' O ' ' A' ' 626' ' ' ASP . 20.6 t0 -86.81 44.72 1.19 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.93 0.395 . . . . 0.0 110.882 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 15.1 ptmt -119.17 161.83 19.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -113.58 89.11 14.67 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.61 0.719 . . . . 0.0 110.938 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 629' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 124.6 11.27 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.647 2.231 . . . . 0.0 112.341 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 630' ' ' VAL . . . . . 0.699 HG22 ' CB ' ' A' ' 649' ' ' ARG . 4.5 t -90.26 124.07 42.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.14 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 631' ' ' THR . . . . . 0.424 HG22 ' HG3' ' A' ' 684' ' ' GLN . 11.0 p -136.41 160.18 39.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.173 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 632' ' ' PHE . . . . . . . . . . . . . 49.1 p90 -140.04 142.04 36.23 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 633' ' ' CYS . . . . . . . . . . . . . 88.6 m -93.92 148.68 21.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 634' ' ' THR . . . . . . . . . . . . . 12.9 p -147.53 131.22 16.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.144 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 635' ' ' TYR . . . . . 0.633 ' CD1' HD12 ' A' ' 680' ' ' LEU . 16.7 p90 -170.46 173.46 5.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.961 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 636' ' ' ALA . . . . . . . . . . . . . . . -134.07 155.88 49.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.12 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 637' ' ' PHE . . . . . 0.498 ' CZ ' ' HB2' ' A' ' 638' ' ' TYR . 3.4 t80 -120.14 150.24 40.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.885 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 638' ' ' TYR . . . . . 0.498 ' HB2' ' CZ ' ' A' ' 637' ' ' PHE . 12.9 t80 36.49 38.37 0.07 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 639' ' ' ASP . . . . . . . . . . . . . 55.4 m-20 54.0 47.14 24.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.87 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 640' ' ' PHE . . . . . 0.428 ' CD2' ' HB3' ' A' ' 638' ' ' TYR . 11.1 m-85 -104.67 179.82 4.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -49.92 128.02 17.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.863 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 642' ' ' LEU . . . . . 0.533 HD13 ' C ' ' A' ' 642' ' ' LEU . 1.2 tm? -54.14 112.42 0.97 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.924 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 643' ' ' GLN . . . . . 0.488 ' N ' HD13 ' A' ' 642' ' ' LEU . 12.0 mm100 -85.5 117.34 24.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 644' ' ' THR . . . . . . . . . . . . . 53.2 m -102.46 133.32 47.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.153 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 645' ' ' THR . . . . . . . . . . . . . 18.9 p -91.68 154.77 44.02 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.598 0.713 . . . . 0.0 111.116 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 646' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 141.42 45.51 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.715 2.277 . . . . 0.0 112.328 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 647' ' ' VAL . . . . . . . . . . . . . 43.5 t -68.84 131.27 33.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.145 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 648' ' ' VAL . . . . . 0.526 ' C ' HG13 ' A' ' 630' ' ' VAL . 21.5 t -140.31 132.58 32.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.147 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 649' ' ' ARG . . . . . 0.699 ' CB ' HG22 ' A' ' 630' ' ' VAL . 8.7 ptm180 -89.31 143.51 26.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 650' ' ' GLY . . . . . . . . . . . . . . . 125.56 155.0 8.88 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.498 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 651' ' ' LEU . . . . . 0.452 ' C ' ' HD3' ' A' ' 653' ' ' PRO . 6.3 mp -71.22 -46.46 61.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.846 0.355 . . . . 0.0 110.889 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 652' ' ' HIS . . . . . . . . . . . . . 15.1 m-70 -110.15 67.55 0.48 Allowed Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.567 0.698 . . . . 0.0 110.862 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 653' ' ' PRO . . . . . 0.452 ' HD3' ' C ' ' A' ' 651' ' ' LEU . 53.5 Cg_endo -69.7 124.03 10.7 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.722 2.281 . . . . 0.0 112.333 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -87.22 83.92 7.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.898 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 655' ' ' TYR . . . . . . . . . . . . . 86.1 m-85 -57.9 -53.95 52.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.958 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 14.2 m120 46.89 43.49 13.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.853 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 657' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -99.95 108.08 20.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.859 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 19.4 m -90.38 142.83 27.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.15 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 8.0 t -131.47 145.68 51.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -131.31 130.92 43.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.865 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 661' ' ' TYR . . . . . . . . . . . . . 31.3 m-85 -151.37 122.0 7.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 662' ' ' LEU . . . . . 0.749 HD11 ' HG2' ' A' ' 604' ' ' GLU . 1.1 tm? -74.75 116.13 15.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.916 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 663' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 605' ' ' ASN . 1.2 m -123.89 117.42 50.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.151 179.818 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 664' ' ' HIS . . . . . . . . . . . . . 11.0 p-80 -94.84 103.6 15.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.884 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 665' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -142.38 166.05 16.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.16 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 666' ' ' ASN . . . . . 0.44 ' O ' ' C ' ' A' ' 667' ' ' ASP . 2.0 m-80 -109.97 -174.97 2.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 667' ' ' ASP . . . . . 0.44 ' C ' ' O ' ' A' ' 666' ' ' ASN . 1.3 m-20 -34.02 -40.28 0.08 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.852 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 668' ' ' LEU . . . . . 0.43 ' O ' ' N ' ' A' ' 671' ' ' GLN . 4.6 mm? -36.59 -52.85 0.88 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 669' ' ' PHE . . . . . 0.487 ' HE1' HD11 ' A' ' 673' ' ' ILE . 10.7 t80 -36.14 -48.2 0.6 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.858 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 670' ' ' LEU . . . . . . . . . . . . . 44.8 mt -59.02 -45.87 89.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 671' ' ' GLN . . . . . 0.43 ' N ' ' O ' ' A' ' 668' ' ' LEU . 15.4 mt-30 -58.4 -40.24 81.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.879 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 672' ' ' TYR . . . . . 0.459 ' CD1' ' C ' ' A' ' 672' ' ' TYR . 0.3 OUTLIER -55.82 -44.55 77.99 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.911 -179.824 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 673' ' ' ILE . . . . . 0.676 HD13 HG21 ' A' ' 703' ' ' ILE . 85.6 mt -56.66 -29.12 28.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.134 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 674' ' ' GLN . . . . . 0.615 ' HG2' HD21 ' A' ' 704' ' ' LEU . 5.4 mm-40 -77.22 -61.39 2.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.945 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 675' ' ' LYS . . . . . . . . . . . . . 17.3 mtpp -63.12 -58.44 7.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.911 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 676' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -103.53 158.68 16.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.858 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 20.2 p -139.37 171.63 13.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.118 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 678' ' ' ILE . . . . . 0.427 ' O ' ' N ' ' A' ' 698' ' ' LEU . 15.4 mt -87.46 124.66 40.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.178 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 28.5 m -101.93 101.22 11.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.126 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 680' ' ' LEU . . . . . 0.843 HD23 ' O ' ' A' ' 680' ' ' LEU . 3.2 tt -113.83 105.28 13.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 681' ' ' GLU . . . . . . . . . . . . . 28.0 mp0 -94.24 145.2 24.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.869 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 682' ' ' VAL . . . . . . . . . . . . . 71.3 t -98.35 98.79 7.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.129 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 683' ' ' HIS . . . . . 0.429 ' CD2' ' N ' ' A' ' 683' ' ' HIS . 4.2 m170 -87.74 124.26 33.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 684' ' ' GLN . . . . . 0.508 ' OE1' HD13 ' A' ' 693' ' ' ILE . 43.7 tt0 -91.03 148.31 22.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.945 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -123.13 128.18 49.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.11 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 686' ' ' TYR . . . . . 0.433 ' CD2' ' O ' ' A' ' 689' ' ' GLU . 0.6 OUTLIER -94.65 168.44 10.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 -179.833 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 687' ' ' SER . . . . . . . . . . . . . 89.0 p -59.41 -10.73 3.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.858 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 688' ' ' THR . . . . . . . . . . . . . 24.6 p -114.31 -74.23 0.63 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.193 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 689' ' ' GLU . . . . . 0.433 ' O ' ' CD2' ' A' ' 686' ' ' TYR . 3.9 pt-20 -119.74 -178.93 3.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.918 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 690' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -135.22 139.61 44.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.928 -179.854 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 691' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -149.69 155.22 39.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 692' ' ' THR . . . . . . . . . . . . . 19.2 m -67.11 134.37 51.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.157 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 693' ' ' ILE . . . . . 0.508 HD13 ' OE1' ' A' ' 684' ' ' GLN . 5.9 pt -126.33 -25.48 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.133 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -139.01 155.03 48.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.124 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 695' ' ' ALA . . . . . . . . . . . . . . . -152.63 125.71 8.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.095 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 696' ' ' CYS . . . . . . . . . . . . . 14.6 p -144.65 171.24 14.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 697' ' ' GLN . . . . . 0.503 ' N ' ' CD ' ' A' ' 697' ' ' GLN . 0.0 OUTLIER -128.18 128.26 44.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 -179.88 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 698' ' ' LEU . . . . . 0.578 HD11 HD13 ' A' ' 680' ' ' LEU . 35.8 mt -90.74 119.25 30.81 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.9 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 699' ' ' LYS . . . . . . . . . . . . . 9.3 ptpt -134.76 133.07 39.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.943 179.792 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 700' ' ' PHE . . . . . 0.785 ' CD1' ' CD1' ' A' ' 733' ' ' PHE . 2.9 m-85 -99.17 125.92 44.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 701' ' ' HIS . . . . . . . . . . . . . 6.9 m80 -88.32 -52.76 5.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.827 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 702' ' ' GLU . . . . . 0.532 ' HB2' HG21 ' A' ' 710' ' ' ILE . 2.8 mp0 -50.4 -38.75 44.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 703' ' ' ILE . . . . . 0.688 HD12 ' CE2' ' A' ' 733' ' ' PHE . 8.5 tt -47.95 -18.92 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.146 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 704' ' ' LEU . . . . . 0.615 HD21 ' HG2' ' A' ' 674' ' ' GLN . 13.7 mt -71.09 -42.08 69.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 705' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -104.45 -48.25 3.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 706' ' ' LYS . . . . . . . . . . . . . 58.3 mttp -83.49 173.57 11.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 707' ' ' SER . . . . . . . . . . . . . 20.2 m -157.89 108.14 2.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.868 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 708' ' ' GLY . . . . . . . . . . . . . . . 140.96 -149.9 21.36 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.521 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 709' ' ' ARG . . . . . . . . . . . . . 21.2 mtp180 -63.74 98.05 0.18 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.778 0.323 . . . . 0.0 110.85 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 710' ' ' ILE . . . . . 0.532 HG21 ' HB2' ' A' ' 702' ' ' GLU . 30.6 mt -124.63 111.5 28.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.108 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 711' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -75.43 134.06 40.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 712' ' ' CYS . . . . . . . . . . . . . 86.5 m -150.38 178.51 8.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.875 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 713' ' ' THR . . . . . . . . . . . . . 34.1 p -150.72 169.31 21.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.128 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 714' ' ' ALA . . . . . . . . . . . . . . . -141.65 155.5 45.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.114 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 715' ' ' SER . . . . . . . . . . . . . 78.0 p -92.43 152.4 19.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 716' ' ' LEU . . . . . 0.558 ' C ' HD12 ' A' ' 717' ' ' ILE . 14.0 mt -116.24 143.85 44.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.956 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 717' ' ' ILE . . . . . 0.558 HD12 ' C ' ' A' ' 716' ' ' LEU . 4.5 mp -134.83 143.57 37.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.1 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 718' ' ' GLY . . . . . . . . . . . . . . . -82.41 147.74 25.9 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.493 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 719' ' ' THR . . . . . . . . . . . . . 44.3 p -78.92 -47.31 16.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.8 0.334 . . . . 0.0 111.106 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 720' ' ' LYS . . . . . . . . . . . . . 19.8 mttm -93.86 -55.76 3.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.902 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 721' ' ' GLY . . . . . . . . . . . . . . . -64.6 -7.84 29.73 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.491 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 722' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 40.38 41.11 0.97 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.778 0.323 . . . . 0.0 110.847 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 723' ' ' ILE . . . . . . . . . . . . . 81.6 mt -87.63 113.11 52.81 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.609 0.718 . . . . 0.0 111.158 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 724' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 -45.29 1.64 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.703 2.269 . . . . 0.0 112.294 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 725' ' ' ASN . . . . . . . . . . . . . 43.2 m-20 -83.64 43.11 0.88 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.846 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 726' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -62.19 -44.52 96.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.868 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 727' ' ' GLY . . . . . . . . . . . . . . . 159.63 176.27 31.51 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.483 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 728' ' ' THR . . . . . . . . . . . . . 2.4 m -122.99 145.56 48.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.842 0.353 . . . . 0.0 111.135 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 729' ' ' VAL . . . . . . . . . . . . . 11.6 p -104.25 147.39 10.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.132 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -113.74 133.03 55.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.929 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 731' ' ' TYR . . . . . 0.482 ' CE2' HD22 ' A' ' 698' ' ' LEU . 31.1 p90 -164.88 174.16 10.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.935 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 732' ' ' TRP . . . . . . . . . . . . . 69.6 p-90 -151.29 121.52 7.26 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.909 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 733' ' ' PHE . . . . . 0.785 ' CD1' ' CD1' ' A' ' 700' ' ' PHE . 25.7 p90 -102.49 145.07 30.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.857 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 734' ' ' ARG . . . . . . . . . . . . . 7.3 tmm_? -137.38 115.25 11.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.884 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 735' ' ' LEU . . . . . 0.499 HD13 ' HD1' ' A' ' 607' ' ' PHE . 46.4 tp -117.14 106.96 13.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.943 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 736' ' ' ARG . . . . . 0.47 ' HD2' ' N ' ' A' ' 737' ' ' VAL . 2.2 tmm_? -149.38 146.33 27.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 737' ' ' VAL . . . . . 0.47 ' N ' ' HD2' ' A' ' 736' ' ' ARG . 11.8 p -52.15 133.05 14.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.117 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 738' ' ' SER . . . . . . . . . . . . . 2.6 p -88.86 140.9 28.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.814 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 739' ' ' GLY . . . . . . . . . . . . . . . 118.9 124.42 3.31 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.459 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 740' ' ' PRO . . . . . 0.448 ' O ' ' C ' ' A' ' 741' ' ' SER . 54.4 Cg_endo -69.78 2.8 3.21 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.68 2.253 . . . . 0.0 112.355 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 741' ' ' SER . . . . . 0.448 ' C ' ' O ' ' A' ' 740' ' ' PRO . 36.4 p -33.96 135.54 0.14 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 27.2 t -93.15 -56.73 2.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.838 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 743' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.532 -179.997 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 588' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 1.2 t 57.2 47.78 16.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.896 0.379 . . . . 0.0 110.842 -179.769 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 590' ' ' SER . . . . . . . . . . . . . 1.9 m -114.48 113.87 25.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.875 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 591' ' ' GLY . . . . . . . . . . . . . . . 46.66 86.86 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.475 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 73.4 m -163.26 141.42 7.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.919 0.39 . . . . 0.0 110.882 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 8.0 t -86.34 -62.22 1.56 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.823 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 594' ' ' GLY . . . . . . . . . . . . . . . -72.04 102.15 1.12 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.463 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 595' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -143.8 121.13 11.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.764 0.316 . . . . 0.0 110.856 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 596' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -116.5 114.18 23.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.866 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 597' ' ' THR . . . . . . . . . . . . . 44.8 p -68.17 110.57 4.06 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.155 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 598' ' ' ILE . . . . . 0.587 ' O ' ' CD2' ' A' ' 599' ' ' HIS . 4.1 mm -101.76 139.91 21.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.15 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 599' ' ' HIS . . . . . 0.587 ' CD2' ' O ' ' A' ' 598' ' ' ILE . 12.1 p80 41.07 54.7 3.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.839 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 600' ' ' LEU . . . . . 0.419 ' C ' ' O ' ' A' ' 599' ' ' HIS . 15.3 mt -36.76 129.21 0.82 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 601' ' ' GLU . . . . . 0.62 ' OE1' HG11 ' A' ' 737' ' ' VAL . 14.6 mt-10 -46.12 169.03 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 602' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.7 165.8 19.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.882 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 603' ' ' GLY . . . . . . . . . . . . . . . 125.05 -84.02 0.35 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.488 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 604' ' ' GLU . . . . . 0.78 ' HB2' HD11 ' A' ' 662' ' ' LEU . 0.6 OUTLIER -150.76 137.93 19.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.853 0.358 . . . . 0.0 110.882 -179.867 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 605' ' ' ASN . . . . . . . . . . . . . 26.0 m120 -117.78 148.45 42.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.901 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 606' ' ' LEU . . . . . 0.442 HD12 ' O ' ' A' ' 661' ' ' TYR . 26.4 tp -118.16 126.03 51.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 607' ' ' PHE . . . . . 0.447 ' CD2' ' HB2' ' A' ' 735' ' ' LEU . 0.5 OUTLIER -122.87 119.76 31.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.839 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 608' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -129.68 127.69 41.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.913 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 609' ' ' ILE . . . . . . . . . . . . . 57.1 mt -117.01 122.29 69.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.147 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 610' ' ' HIS . . . . . 0.576 ' HB2' HG23 ' A' ' 658' ' ' THR . 1.1 t60 -114.63 147.63 39.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 179.846 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 611' ' ' ILE . . . . . 0.429 ' N ' ' ND1' ' A' ' 610' ' ' HIS . 12.4 mm -114.29 105.2 18.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.126 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 612' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 -59.84 -67.64 0.36 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 613' ' ' LYS . . . . . . . . . . . . . 36.0 pttt -166.51 170.99 12.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 614' ' ' VAL . . . . . . . . . . . . . 9.4 p -119.69 127.36 75.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.144 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 615' ' ' THR . . . . . . . . . . . . . 89.7 m -105.2 143.83 32.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.163 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 616' ' ' PHE . . . . . 0.743 ' CD1' HG11 ' A' ' 620' ' ' VAL . 87.6 m-85 -117.06 165.35 13.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.842 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -101.28 165.27 11.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.874 -179.84 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 618' ' ' SER . . . . . 0.489 ' HA ' HD12 ' A' ' 621' ' ' LEU . 52.1 m -44.51 -62.96 1.0 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.865 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 619' ' ' GLU . . . . . 0.744 ' OE1' HD13 ' A' ' 723' ' ' ILE . 1.6 pp20? -38.3 -52.63 1.51 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.911 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 620' ' ' VAL . . . . . 0.743 HG11 ' CD1' ' A' ' 616' ' ' PHE . 4.1 t -58.86 -51.16 75.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.112 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 621' ' ' LEU . . . . . 0.489 HD12 ' HA ' ' A' ' 618' ' ' SER . 24.5 mt -54.22 -67.42 0.26 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 622' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -52.62 -41.51 63.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.891 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 623' ' ' ALA . . . . . 0.434 ' HB2' ' O ' ' A' ' 619' ' ' GLU . . . -50.54 -23.44 2.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.139 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 25.1 p -93.73 -39.46 10.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 625' ' ' GLY . . . . . . . . . . . . . . . 111.48 -149.47 18.0 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.483 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 626' ' ' ASP . . . . . . . . . . . . . 49.6 m-20 -91.88 44.97 1.19 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.841 0.353 . . . . 0.0 110.867 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 9.3 ptpp? -142.11 -176.44 4.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.922 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 628' ' ' GLU . . . . . 0.407 ' O ' ' CG ' ' A' ' 628' ' ' GLU . 4.6 pt-20 -128.6 104.12 19.37 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.624 0.726 . . . . 0.0 110.9 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 629' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 142.63 48.61 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.683 2.255 . . . . 0.0 112.398 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 630' ' ' VAL . . . . . 0.78 HG13 ' O ' ' A' ' 648' ' ' VAL . 21.4 t -94.86 130.23 43.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.081 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 631' ' ' THR . . . . . . . . . . . . . 1.2 p -150.05 162.07 41.12 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.079 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 632' ' ' PHE . . . . . 0.635 ' CZ ' ' NE2' ' A' ' 683' ' ' HIS . 2.2 p90 -146.34 158.27 43.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 633' ' ' CYS . . . . . 0.42 ' SG ' HD21 ' A' ' 680' ' ' LEU . 1.8 m -90.58 155.46 18.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 634' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -149.42 123.97 9.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.096 -179.832 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 635' ' ' TYR . . . . . 0.562 ' CD1' HD12 ' A' ' 680' ' ' LEU . 48.3 p90 -168.85 154.96 6.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.943 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 636' ' ' ALA . . . . . . . . . . . . . . . -102.81 154.93 18.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.069 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 637' ' ' PHE . . . . . 0.488 ' O ' ' C ' ' A' ' 638' ' ' TYR . 11.2 t80 -105.99 156.97 17.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 638' ' ' TYR . . . . . 0.601 ' O ' ' CD2' ' A' ' 640' ' ' PHE . 67.3 t80 -30.76 102.71 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.911 -179.809 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 639' ' ' ASP . . . . . . . . . . . . . 34.8 t70 54.95 54.96 8.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.844 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 640' ' ' PHE . . . . . 0.601 ' CD2' ' O ' ' A' ' 638' ' ' TYR . 60.7 m-85 -143.24 148.56 36.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.881 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -64.32 147.75 51.83 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.915 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 642' ' ' LEU . . . . . 0.414 HD13 ' N ' ' A' ' 643' ' ' GLN . 0.6 OUTLIER -50.79 111.39 0.54 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.926 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 643' ' ' GLN . . . . . 0.414 ' N ' HD13 ' A' ' 642' ' ' LEU . 3.5 tp60 -84.98 118.17 24.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.938 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 644' ' ' THR . . . . . . . . . . . . . 3.3 m -94.32 117.66 30.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.125 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 645' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -71.85 159.78 84.49 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.552 0.691 . . . . 0.0 111.157 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 646' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 126.1 12.92 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.655 2.237 . . . . 0.0 112.349 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 647' ' ' VAL . . . . . . . . . . . . . 39.0 t -73.41 133.44 31.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.081 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 648' ' ' VAL . . . . . 0.78 ' O ' HG13 ' A' ' 630' ' ' VAL . 48.1 t -137.31 156.13 32.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.152 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 649' ' ' ARG . . . . . 0.469 ' N ' HG12 ' A' ' 648' ' ' VAL . 20.2 mtt180 -96.72 123.99 40.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 650' ' ' GLY . . . . . . . . . . . . . . . 147.05 -169.51 28.09 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.473 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 651' ' ' LEU . . . . . 0.425 HD22 HD23 ' A' ' 621' ' ' LEU . 8.5 mt -115.2 -46.47 2.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.856 0.36 . . . . 0.0 110.973 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 652' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -118.13 57.29 2.68 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.593 0.711 . . . . 0.0 110.882 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 653' ' ' PRO . . . . . 0.41 ' HD3' ' C ' ' A' ' 651' ' ' LEU . 54.2 Cg_endo -69.74 178.72 4.28 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.66 2.24 . . . . 0.0 112.353 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 654' ' ' GLU . . . . . 0.428 ' O ' ' C ' ' A' ' 655' ' ' TYR . 35.0 mt-10 -128.73 72.08 1.44 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 655' ' ' TYR . . . . . 0.428 ' C ' ' O ' ' A' ' 654' ' ' GLU . 85.0 m-85 -35.65 -46.81 0.44 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.927 -179.847 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 10.6 m-20 56.78 44.03 24.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.886 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 657' ' ' PHE . . . . . . . . . . . . . 16.6 t80 -97.7 109.42 22.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 658' ' ' THR . . . . . 0.576 HG23 ' HB2' ' A' ' 610' ' ' HIS . 1.8 m -124.01 94.89 4.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.168 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 1.9 m -97.22 152.6 18.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.845 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 82.0 mt-30 -135.9 131.08 34.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 661' ' ' TYR . . . . . 0.442 ' O ' HD12 ' A' ' 606' ' ' LEU . 53.4 m-85 -146.73 133.35 19.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.964 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 662' ' ' LEU . . . . . 0.78 HD11 ' HB2' ' A' ' 604' ' ' GLU . 0.6 OUTLIER -80.58 110.97 16.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.93 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 663' ' ' VAL . . . . . . . . . . . . . 8.0 m -107.83 119.43 57.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.099 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 664' ' ' HIS . . . . . . . . . . . . . 1.8 p-80 -86.02 108.65 18.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.893 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 665' ' ' VAL . . . . . 0.743 HG22 ' H ' ' A' ' 666' ' ' ASN . 1.3 p -156.4 -177.58 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.122 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 666' ' ' ASN . . . . . 0.743 ' H ' HG22 ' A' ' 665' ' ' VAL . 0.7 OUTLIER -129.09 -174.81 3.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 667' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -44.02 -33.41 1.42 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.915 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -43.39 -36.43 1.93 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 669' ' ' PHE . . . . . 0.515 ' HB2' HG11 ' A' ' 665' ' ' VAL . 3.2 t80 -50.58 -44.92 56.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.85 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 670' ' ' LEU . . . . . 0.624 HD22 ' O ' ' A' ' 703' ' ' ILE . 80.9 mt -49.88 -46.42 51.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.932 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 671' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -53.68 -50.45 65.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.906 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 672' ' ' TYR . . . . . 0.408 ' CD1' ' C ' ' A' ' 672' ' ' TYR . 0.5 OUTLIER -45.79 -22.73 0.2 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.881 -179.801 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 673' ' ' ILE . . . . . 0.458 HG21 ' CG2' ' A' ' 703' ' ' ILE . 4.0 mm -75.38 -46.52 37.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.133 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 674' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -76.17 -42.27 47.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 675' ' ' LYS . . . . . . . . . . . . . 41.8 mmtt -63.37 -56.46 16.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 676' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -125.27 156.49 38.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.908 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 7.7 p -124.49 164.38 19.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.14 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 678' ' ' ILE . . . . . 0.477 ' O ' ' N ' ' A' ' 698' ' ' LEU . 4.8 mp -90.69 138.18 20.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.179 179.856 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 5.4 m -101.33 118.06 36.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.132 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 680' ' ' LEU . . . . . 0.72 HD13 HD11 ' A' ' 698' ' ' LEU . 7.7 tt -121.0 103.74 9.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 681' ' ' GLU . . . . . 0.463 ' OE1' ' N ' ' A' ' 681' ' ' GLU . 3.2 mp0 -102.37 142.64 33.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.837 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 682' ' ' VAL . . . . . . . . . . . . . 61.8 t -115.11 98.64 7.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.125 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 683' ' ' HIS . . . . . 0.635 ' NE2' ' CZ ' ' A' ' 632' ' ' PHE . 3.5 p-80 -97.83 153.48 18.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.828 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 684' ' ' GLN . . . . . . . . . . . . . 48.7 tt0 -98.97 125.01 44.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.959 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 685' ' ' ALA . . . . . 0.595 ' HB1' ' CE2' ' A' ' 690' ' ' TYR . . . -94.46 113.67 25.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.117 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 686' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 -93.52 168.16 11.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 687' ' ' SER . . . . . . . . . . . . . 18.5 m -85.46 6.26 27.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.859 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 688' ' ' THR . . . . . . . . . . . . . 78.5 p -132.0 -47.4 0.93 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.132 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 689' ' ' GLU . . . . . 0.498 ' C ' ' CD1' ' A' ' 690' ' ' TYR . 2.1 pt-20 -133.26 -177.46 4.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 690' ' ' TYR . . . . . 0.595 ' CE2' ' HB1' ' A' ' 685' ' ' ALA . 26.0 m-85 -147.23 120.35 8.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.893 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 691' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -146.19 145.49 30.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.884 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 692' ' ' THR . . . . . 0.465 HG23 ' HB3' ' A' ' 683' ' ' HIS . 1.0 OUTLIER -68.24 158.2 33.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.135 -179.926 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 693' ' ' ILE . . . . . 0.481 HG13 ' N ' ' A' ' 694' ' ' ALA . 34.0 pt -133.77 -33.7 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.113 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 694' ' ' ALA . . . . . 0.481 ' N ' HG13 ' A' ' 693' ' ' ILE . . . -139.82 152.84 46.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.103 179.841 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 695' ' ' ALA . . . . . . . . . . . . . . . -151.65 121.79 7.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.142 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 696' ' ' CYS . . . . . . . . . . . . . 15.1 p -136.11 176.07 9.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.929 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 697' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -127.66 119.53 26.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 698' ' ' LEU . . . . . 0.72 HD11 HD13 ' A' ' 680' ' ' LEU . 12.1 mt -73.46 121.53 20.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 699' ' ' LYS . . . . . . . . . . . . . 10.4 ptpt -143.77 125.23 14.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 700' ' ' PHE . . . . . 0.546 ' CD2' ' CE1' ' A' ' 733' ' ' PHE . 1.4 m-85 -108.63 125.08 51.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.864 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 701' ' ' HIS . . . . . . . . . . . . . 53.1 m-70 -89.15 -46.8 8.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.85 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 702' ' ' GLU . . . . . 0.502 ' HB2' HG21 ' A' ' 710' ' ' ILE . 9.2 mt-10 -53.43 -26.66 20.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.893 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 703' ' ' ILE . . . . . 0.624 ' O ' HD22 ' A' ' 670' ' ' LEU . 5.8 tt -71.97 2.08 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.1 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 704' ' ' LEU . . . . . . . . . . . . . 59.4 mt -100.03 -19.7 16.4 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.92 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 705' ' ' GLU . . . . . 0.458 ' OE1' ' C ' ' A' ' 705' ' ' GLU . 0.0 OUTLIER -116.93 -33.44 4.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.848 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 706' ' ' LYS . . . . . 0.411 ' HG2' ' HG3' ' A' ' 705' ' ' GLU . 9.0 ptpp? -122.96 159.89 27.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 707' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -139.44 128.68 23.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 708' ' ' GLY . . . . . 0.457 ' O ' ' N ' ' A' ' 710' ' ' ILE . . . 125.94 -144.38 15.07 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.494 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 709' ' ' ARG . . . . . . . . . . . . . 51.6 mtt180 -55.96 84.62 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.819 0.343 . . . . 0.0 110.853 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 710' ' ' ILE . . . . . 0.502 HG21 ' HB2' ' A' ' 702' ' ' GLU . 20.2 mt -124.0 125.98 71.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.103 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 711' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -95.89 144.37 26.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.91 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 712' ' ' CYS . . . . . . . . . . . . . 7.1 t -162.54 169.43 20.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 713' ' ' THR . . . . . . . . . . . . . 19.3 p -142.88 167.59 21.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.117 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 714' ' ' ALA . . . . . 0.645 ' HB2' ' OH ' ' A' ' 731' ' ' TYR . . . -131.96 146.86 52.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.081 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 715' ' ' SER . . . . . . . . . . . . . 29.5 p -89.44 149.58 22.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.84 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 716' ' ' LEU . . . . . . . . . . . . . 24.4 mt -116.82 133.55 55.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.913 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 717' ' ' ILE . . . . . . . . . . . . . 3.7 mp -121.16 118.35 55.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.112 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 718' ' ' GLY . . . . . 0.507 ' CA ' ' CD2' ' A' ' 726' ' ' PHE . . . -51.47 168.63 0.51 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.521 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 719' ' ' THR . . . . . . . . . . . . . 75.5 p -112.87 -30.09 7.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.881 0.372 . . . . 0.0 111.159 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 720' ' ' LYS . . . . . . . . . . . . . 10.5 mttm -72.06 -65.31 0.79 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.878 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 721' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 722' ' ' ASP . . . -108.21 31.11 8.18 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.439 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 722' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 721' ' ' GLY . 27.3 t70 37.52 48.85 0.94 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.77 0.319 . . . . 0.0 110.83 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 723' ' ' ILE . . . . . 0.744 HD13 ' OE1' ' A' ' 619' ' ' GLU . 93.7 mt -69.45 113.38 16.52 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.606 0.717 . . . . 0.0 111.138 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 724' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -36.62 10.53 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.719 2.279 . . . . 0.0 112.343 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 725' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -91.72 36.96 0.96 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.848 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 726' ' ' PHE . . . . . 0.507 ' CD2' ' CA ' ' A' ' 718' ' ' GLY . 7.4 t80 -55.24 -35.14 64.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.855 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 727' ' ' GLY . . . . . . . . . . . . . . . 151.64 -167.91 31.0 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.533 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 728' ' ' THR . . . . . . . . . . . . . 3.2 m -143.3 144.74 32.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.805 0.336 . . . . 0.0 111.126 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 729' ' ' VAL . . . . . 0.45 HG13 ' CE2' ' A' ' 731' ' ' TYR . 12.0 p -107.64 140.55 25.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.174 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 12.4 mp0 -109.49 126.23 53.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.859 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 731' ' ' TYR . . . . . 0.645 ' OH ' ' HB2' ' A' ' 714' ' ' ALA . 1.3 p90 -159.94 164.17 33.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.947 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 732' ' ' TRP . . . . . 0.425 ' CZ3' ' HG2' ' A' ' 734' ' ' ARG . 18.1 p-90 -139.09 141.92 38.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.889 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 733' ' ' PHE . . . . . 0.546 ' CE1' ' CD2' ' A' ' 700' ' ' PHE . 30.4 p90 -124.64 157.37 35.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 734' ' ' ARG . . . . . 0.425 ' HG2' ' CZ3' ' A' ' 732' ' ' TRP . 8.1 ptm180 -154.56 121.32 5.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.866 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 735' ' ' LEU . . . . . 0.447 ' HB2' ' CD2' ' A' ' 607' ' ' PHE . 5.7 tp -130.53 107.33 9.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.94 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 736' ' ' ARG . . . . . 0.431 ' O ' ' C ' ' A' ' 737' ' ' VAL . 10.8 ttt180 -155.88 146.14 21.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.897 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 737' ' ' VAL . . . . . 0.62 HG11 ' OE1' ' A' ' 601' ' ' GLU . 7.1 p -35.44 133.47 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.153 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 738' ' ' SER . . . . . . . . . . . . . 40.6 t -104.82 137.38 42.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.834 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 739' ' ' GLY . . . . . . . . . . . . . . . -107.91 83.97 0.36 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.477 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 740' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -40.52 5.31 Favored 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.703 2.269 . . . . 0.0 112.342 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 9.1 m -64.67 -55.97 16.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.839 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 23.8 p -62.2 94.69 0.06 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.863 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 743' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.467 -179.976 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 588' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 589' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 589' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 588' ' ' GLY . 51.1 m -37.86 -56.16 1.13 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.929 0.395 . . . . 0.0 110.86 -179.74 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 590' ' ' SER . . . . . . . . . . . . . 6.3 t -166.15 150.71 8.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.847 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 591' ' ' GLY . . . . . . . . . . . . . . . -174.78 49.28 0.14 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.458 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 70.4 p -159.54 136.27 9.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.846 0.355 . . . . 0.0 110.913 -179.751 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 21.2 m -123.81 84.09 2.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 594' ' ' GLY . . . . . . . . . . . . . . . 130.24 -128.29 5.56 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.479 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 595' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -159.46 178.05 10.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.78 0.324 . . . . 0.0 110.869 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 596' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -149.79 109.68 4.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.833 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 597' ' ' THR . . . . . . . . . . . . . 80.4 p -144.33 142.4 30.38 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.107 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 598' ' ' ILE . . . . . . . . . . . . . 76.5 mt -85.01 -45.13 17.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.127 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 599' ' ' HIS . . . . . . . . . . . . . 23.0 t-80 -167.56 123.43 1.08 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.885 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 600' ' ' LEU . . . . . . . . . . . . . 7.0 mt -152.04 136.32 16.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 601' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -87.61 157.11 19.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.934 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 602' ' ' ARG . . . . . 0.433 ' N ' ' HD2' ' A' ' 602' ' ' ARG . 2.4 mpt_? -88.27 37.04 0.8 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.889 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 603' ' ' GLY . . . . . . . . . . . . . . . -104.88 176.45 22.88 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.487 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 604' ' ' GLU . . . . . 0.826 ' O ' HG23 ' A' ' 737' ' ' VAL . 0.6 OUTLIER -61.68 150.89 35.25 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.823 0.344 . . . . 0.0 110.907 -179.901 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 605' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -121.5 154.07 37.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 606' ' ' LEU . . . . . 0.4 HD23 HH22 ' A' ' 734' ' ' ARG . 37.6 tp -131.58 124.79 30.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 607' ' ' PHE . . . . . 0.691 ' HD2' HD13 ' A' ' 735' ' ' LEU . 8.4 t80 -123.97 122.74 38.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 608' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -135.01 154.24 51.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.877 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 609' ' ' ILE . . . . . . . . . . . . . 40.8 mt -136.95 129.3 44.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.143 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 610' ' ' HIS . . . . . 0.464 ' ND1' ' C ' ' A' ' 610' ' ' HIS . 0.0 OUTLIER -125.62 127.45 46.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.857 179.896 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 611' ' ' ILE . . . . . 0.41 ' N ' ' ND1' ' A' ' 610' ' ' HIS . 46.4 mm -94.5 105.52 17.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.093 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 612' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 -59.7 -67.48 0.38 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 613' ' ' LYS . . . . . . . . . . . . . 2.8 ptpt -160.09 178.7 9.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 614' ' ' VAL . . . . . 0.479 HG22 HG23 ' A' ' 729' ' ' VAL . 72.0 t -130.76 114.29 27.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.166 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 615' ' ' THR . . . . . . . . . . . . . 37.9 m -87.99 150.21 23.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.132 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 616' ' ' PHE . . . . . 0.514 ' HB3' ' CG2' ' A' ' 620' ' ' VAL . 62.0 m-85 -128.35 162.92 25.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.919 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 617' ' ' SER . . . . . 0.489 ' O ' ' N ' ' A' ' 619' ' ' GLU . 8.0 t -107.84 150.22 27.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 -179.825 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 618' ' ' SER . . . . . . . . . . . . . 15.2 m -38.69 -26.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.853 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 619' ' ' GLU . . . . . 0.489 ' N ' ' O ' ' A' ' 617' ' ' SER . 6.9 mp0 -48.53 -58.42 4.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.903 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 620' ' ' VAL . . . . . 0.514 ' CG2' ' HB3' ' A' ' 616' ' ' PHE . 31.2 m -77.85 -35.77 21.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.145 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 621' ' ' LEU . . . . . . . . . . . . . 24.4 mt -56.28 -64.42 0.87 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.921 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 622' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -49.17 -57.96 5.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.931 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -44.74 -43.58 8.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.102 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 4.0 m -68.98 -50.93 44.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.828 -179.75 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 625' ' ' GLY . . . . . . . . . . . . . . . 95.85 -138.19 13.81 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.482 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 626' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -92.36 46.21 1.24 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.821 0.343 . . . . 0.0 110.836 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 43.6 mttm -122.45 160.43 25.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.87 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -109.67 91.48 10.53 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.694 0.759 . . . . 0.0 110.874 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 629' ' ' PRO . . . . . 0.586 ' HD2' HD22 ' A' ' 651' ' ' LEU . 53.7 Cg_endo -69.77 115.79 4.26 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.688 2.258 . . . . 0.0 112.338 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 630' ' ' VAL . . . . . 0.415 ' CG1' ' CG1' ' A' ' 647' ' ' VAL . 17.6 t -89.88 128.79 41.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.08 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 631' ' ' THR . . . . . 0.562 HG22 ' HG2' ' A' ' 684' ' ' GLN . 57.9 p -140.44 150.87 44.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.137 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 632' ' ' PHE . . . . . 0.602 ' CZ ' ' NE2' ' A' ' 683' ' ' HIS . 9.5 p90 -139.04 143.83 38.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 633' ' ' CYS . . . . . . . . . . . . . 85.7 m -98.15 143.24 28.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.837 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 634' ' ' THR . . . . . . . . . . . . . 13.3 p -145.49 130.29 18.14 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.123 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 635' ' ' TYR . . . . . 0.487 ' CD2' HD12 ' A' ' 680' ' ' LEU . 43.1 p90 -166.11 175.85 8.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.915 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 636' ' ' ALA . . . . . . . . . . . . . . . -128.57 144.83 51.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.066 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 637' ' ' PHE . . . . . . . . . . . . . 65.3 t80 -107.02 136.33 47.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.88 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 638' ' ' TYR . . . . . 0.42 ' OH ' HG23 ' A' ' 665' ' ' VAL . 2.8 t80 52.18 25.13 3.11 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.932 -179.84 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 639' ' ' ASP . . . . . . . . . . . . . 7.4 t0 68.27 46.81 1.05 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.861 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 640' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -108.49 176.01 5.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -50.98 126.88 17.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.877 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 642' ' ' LEU . . . . . . . . . . . . . 10.0 tp -47.05 154.32 0.36 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 643' ' ' GLN . . . . . . . . . . . . . 17.2 mm-40 -122.53 110.11 15.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.926 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 644' ' ' THR . . . . . . . . . . . . . 55.9 m -82.69 121.28 26.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.118 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 645' ' ' THR . . . . . . . . . . . . . 20.5 p -83.92 154.43 64.34 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.53 0.681 . . . . 0.0 111.175 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 646' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 120.98 7.68 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.726 2.284 . . . . 0.0 112.331 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 647' ' ' VAL . . . . . 0.415 ' CG1' ' CG1' ' A' ' 630' ' ' VAL . 59.0 t -68.88 126.83 29.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.111 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 86.7 t -131.54 140.0 49.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.149 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 649' ' ' ARG . . . . . . . . . . . . . 13.9 mtm-85 -84.93 150.77 24.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.916 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 650' ' ' GLY . . . . . . . . . . . . . . . 114.78 156.06 11.24 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.473 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 651' ' ' LEU . . . . . 0.586 HD22 ' HD2' ' A' ' 629' ' ' PRO . 4.4 mm? -64.31 -54.97 24.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.848 0.356 . . . . 0.0 110.928 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 652' ' ' HIS . . . . . . . . . . . . . 15.3 m-70 -108.3 72.54 0.42 Allowed Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.535 0.683 . . . . 0.0 110.83 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 653' ' ' PRO . . . . . 0.405 ' HD3' ' C ' ' A' ' 651' ' ' LEU . 53.6 Cg_endo -69.73 163.19 39.19 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.679 2.252 . . . . 0.0 112.332 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -118.57 80.15 1.49 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 655' ' ' TYR . . . . . . . . . . . . . 43.1 m-85 -51.5 -53.69 34.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.893 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 5.2 m120 58.14 40.13 25.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.903 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 657' ' ' PHE . . . . . . . . . . . . . 39.9 t80 -92.64 109.0 20.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 88.3 m -119.31 119.38 33.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.146 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 56.6 m -138.94 140.26 38.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.845 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 660' ' ' GLN . . . . . 0.514 ' NE2' ' O ' ' A' ' 660' ' ' GLN . 2.9 pp0? -136.36 149.82 48.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.905 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 661' ' ' TYR . . . . . . . . . . . . . 78.6 m-85 -149.44 138.31 21.13 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.937 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 662' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.54 105.64 4.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.926 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 663' ' ' VAL . . . . . 0.532 HG23 ' O ' ' A' ' 663' ' ' VAL . 24.2 m -105.97 120.95 57.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.067 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 664' ' ' HIS . . . . . 0.406 ' O ' ' CG ' ' A' ' 664' ' ' HIS . 45.9 p-80 -89.76 98.53 11.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.867 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 665' ' ' VAL . . . . . 0.558 HG22 ' N ' ' A' ' 666' ' ' ASN . 11.4 p -138.34 164.01 27.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.157 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 666' ' ' ASN . . . . . 0.558 ' N ' HG22 ' A' ' 665' ' ' VAL . 11.5 m120 -109.46 -175.01 2.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.921 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 667' ' ' ASP . . . . . 0.453 ' O ' ' C ' ' A' ' 668' ' ' LEU . 0.9 OUTLIER -40.17 -45.28 1.99 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.877 179.873 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 668' ' ' LEU . . . . . 0.453 ' C ' ' O ' ' A' ' 667' ' ' ASP . 11.1 mt -33.94 -39.69 0.07 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.914 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 669' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -45.82 -54.88 7.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 670' ' ' LEU . . . . . 0.464 HD22 ' HA ' ' A' ' 704' ' ' LEU . 37.1 mt -50.27 -43.04 53.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 671' ' ' GLN . . . . . . . . . . . . . 8.3 mm100 -54.49 -48.39 71.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 672' ' ' TYR . . . . . 0.484 ' C ' ' CD1' ' A' ' 672' ' ' TYR . 0.7 OUTLIER -47.9 -40.36 21.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.922 -179.859 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 673' ' ' ILE . . . . . 0.435 HD13 HG21 ' A' ' 703' ' ' ILE . 16.1 mt -63.23 -38.57 82.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.11 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 674' ' ' GLN . . . . . . . . . . . . . 8.2 mm-40 -78.95 -61.55 1.98 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.924 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 675' ' ' LYS . . . . . . . . . . . . . 45.4 mtpt -53.94 -57.47 10.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 676' ' ' ASN . . . . . . . . . . . . . 18.8 m-20 -111.01 173.07 6.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.925 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 37.6 p -139.65 164.7 29.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.115 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 678' ' ' ILE . . . . . . . . . . . . . 5.3 mp -87.5 139.36 17.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.145 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 20.4 m -109.57 125.57 52.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.152 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 680' ' ' LEU . . . . . 0.712 HD23 ' O ' ' A' ' 680' ' ' LEU . 7.2 tt -134.78 102.09 5.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.902 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 681' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -98.96 128.91 45.22 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 682' ' ' VAL . . . . . . . . . . . . . 76.9 t -99.86 99.14 7.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.117 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 683' ' ' HIS . . . . . 0.602 ' NE2' ' CZ ' ' A' ' 632' ' ' PHE . 9.8 p-80 -93.11 162.49 14.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 684' ' ' GLN . . . . . 0.562 ' HG2' HG22 ' A' ' 631' ' ' THR . 41.3 mt-30 -111.75 160.05 17.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -107.58 102.82 12.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.106 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 686' ' ' TYR . . . . . 0.523 ' CE2' ' HB2' ' A' ' 684' ' ' GLN . 0.1 OUTLIER -129.18 131.19 47.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.94 -179.822 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 687' ' ' SER . . . . . 0.607 ' O ' HG22 ' A' ' 688' ' ' THR . 1.8 m 45.48 53.24 8.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.901 -179.816 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 688' ' ' THR . . . . . 0.607 HG22 ' O ' ' A' ' 687' ' ' SER . 14.8 t 46.05 26.13 0.39 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.106 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 689' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -113.69 147.83 37.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.877 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 690' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -128.67 116.98 20.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.932 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 691' ' ' GLU . . . . . 0.431 ' O ' HG23 ' A' ' 693' ' ' ILE . 41.8 tt0 -147.21 105.0 3.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.895 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 692' ' ' THR . . . . . 0.429 ' C ' ' O ' ' A' ' 691' ' ' GLU . 96.5 m -33.8 135.74 0.13 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.11 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 693' ' ' ILE . . . . . 0.486 HD12 ' N ' ' A' ' 694' ' ' ALA . 2.6 pp -128.76 -28.9 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.165 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 694' ' ' ALA . . . . . 0.486 ' N ' HD12 ' A' ' 693' ' ' ILE . . . -130.92 132.03 44.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.16 179.771 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 695' ' ' ALA . . . . . . . . . . . . . . . -135.46 144.18 46.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.108 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 696' ' ' CYS . . . . . . . . . . . . . 30.6 p -151.45 160.8 43.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 697' ' ' GLN . . . . . 0.4 ' N ' ' CD ' ' A' ' 697' ' ' GLN . 7.1 mp0 -109.05 122.16 46.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 -179.838 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 698' ' ' LEU . . . . . 0.572 HD22 ' CE2' ' A' ' 731' ' ' TYR . 29.8 mt -93.58 123.63 37.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 699' ' ' LYS . . . . . . . . . . . . . 8.6 ptpt -150.21 132.98 15.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.891 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 700' ' ' PHE . . . . . 0.641 ' CD1' ' CE1' ' A' ' 733' ' ' PHE . 5.6 m-85 -109.81 125.6 52.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.884 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 701' ' ' HIS . . . . . . . . . . . . . 35.0 m-70 -88.84 -67.83 0.81 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.856 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 702' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 706' ' ' LYS . 81.4 mm-40 -45.74 -30.9 1.77 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 703' ' ' ILE . . . . . 0.435 HG21 HD13 ' A' ' 673' ' ' ILE . 0.0 OUTLIER -47.86 -39.61 7.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.079 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 704' ' ' LEU . . . . . 0.464 ' HA ' HD22 ' A' ' 670' ' ' LEU . 21.0 mt -60.71 -43.52 97.73 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.939 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 705' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -89.38 -65.05 1.05 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.884 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 706' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 702' ' ' GLU . 19.4 mttm -82.77 175.12 10.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.936 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 707' ' ' SER . . . . . . . . . . . . . 89.5 p -169.96 105.03 0.32 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.89 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 708' ' ' GLY . . . . . . . . . . . . . . . 160.28 80.81 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.465 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 709' ' ' ARG . . . . . . . . . . . . . 49.1 mtt85 44.45 54.81 6.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.781 0.324 . . . . 0.0 110.848 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 710' ' ' ILE . . . . . . . . . . . . . 16.6 mt -72.18 82.89 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.116 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 711' ' ' PHE . . . . . . . . . . . . . 79.3 m-85 -37.24 131.49 0.83 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.913 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 712' ' ' CYS . . . . . . . . . . . . . 65.6 m -154.71 178.39 10.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.829 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 713' ' ' THR . . . . . . . . . . . . . 38.2 p -150.64 163.22 39.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.126 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 714' ' ' ALA . . . . . . . . . . . . . . . -135.26 160.75 37.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.123 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 715' ' ' SER . . . . . . . . . . . . . 28.9 t -100.23 139.24 36.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.845 -179.762 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 716' ' ' LEU . . . . . . . . . . . . . 13.7 mt -111.37 138.87 47.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.933 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 717' ' ' ILE . . . . . . . . . . . . . 4.4 mp -127.77 144.75 36.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.133 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 718' ' ' GLY . . . . . . . . . . . . . . . -90.77 160.72 27.78 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.452 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 719' ' ' THR . . . . . . . . . . . . . 24.6 p -106.3 -41.31 5.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.853 0.358 . . . . 0.0 111.123 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 720' ' ' LYS . . . . . . . . . . . . . 7.2 mmpt? -55.92 -47.18 77.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 721' ' ' GLY . . . . . 0.444 ' O ' ' C ' ' A' ' 722' ' ' ASP . . . -124.17 30.98 4.62 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.493 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 722' ' ' ASP . . . . . 0.445 ' CG ' ' O ' ' A' ' 722' ' ' ASP . 18.0 t70 34.39 41.8 0.06 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.814 0.34 . . . . 0.0 110.837 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 723' ' ' ILE . . . . . . . . . . . . . 76.4 mt -67.87 111.67 8.34 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.593 0.711 . . . . 0.0 111.119 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 724' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -50.86 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.643 2.229 . . . . 0.0 112.333 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 725' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -86.14 50.42 1.98 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.891 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 726' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -59.0 -42.5 90.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 727' ' ' GLY . . . . . . . . . . . . . . . 155.79 175.94 27.37 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.485 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 728' ' ' THR . . . . . . . . . . . . . 6.3 m -117.85 145.9 44.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.763 0.316 . . . . 0.0 111.169 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 729' ' ' VAL . . . . . 0.479 HG23 HG22 ' A' ' 614' ' ' VAL . 7.1 p -108.77 140.45 27.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.119 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -108.67 117.75 35.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.918 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 731' ' ' TYR . . . . . 0.572 ' CE2' HD22 ' A' ' 698' ' ' LEU . 0.5 OUTLIER -160.8 159.16 29.62 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.931 -179.817 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 732' ' ' TRP . . . . . . . . . . . . . 69.6 p-90 -131.95 175.05 9.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.917 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 733' ' ' PHE . . . . . 0.641 ' CE1' ' CD1' ' A' ' 700' ' ' PHE . 15.2 p90 -152.37 151.0 30.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.828 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 734' ' ' ARG . . . . . 0.4 HH22 HD23 ' A' ' 606' ' ' LEU . 16.0 ttp180 -146.58 139.03 25.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.84 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 735' ' ' LEU . . . . . 0.691 HD13 ' HD2' ' A' ' 607' ' ' PHE . 43.6 tp -139.97 105.12 5.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.942 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 736' ' ' ARG . . . . . . . . . . . . . 9.6 mmm180 -149.05 166.7 27.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.856 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 737' ' ' VAL . . . . . 0.826 HG23 ' O ' ' A' ' 604' ' ' GLU . 7.1 p -71.26 113.58 7.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.128 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 738' ' ' SER . . . . . . . . . . . . . 15.9 t -44.73 124.92 4.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 739' ' ' GLY . . . . . . . . . . . . . . . -89.62 141.42 16.12 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.475 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 740' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 2.91 3.14 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.738 2.292 . . . . 0.0 112.324 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 60.1 p -81.8 95.82 7.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.829 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 34.1 p -68.92 -56.02 9.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.852 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 743' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.51 -179.965 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 588' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 35.1 m -132.75 165.32 24.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.854 0.359 . . . . 0.0 110.846 -179.719 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 590' ' ' SER . . . . . . . . . . . . . 1.4 t -147.36 143.87 28.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.859 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 591' ' ' GLY . . . . . . . . . . . . . . . -135.21 102.09 0.42 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.501 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 13.4 t -168.36 129.55 1.33 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.858 0.361 . . . . 0.0 110.862 -179.71 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 11.1 t -173.85 154.28 2.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.89 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 594' ' ' GLY . . . . . . . . . . . . . . . -45.75 -40.43 9.11 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.452 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 595' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -151.0 -179.76 7.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.788 0.328 . . . . 0.0 110.846 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 596' ' ' GLU . . . . . 0.436 ' O ' ' C ' ' A' ' 597' ' ' THR . 51.7 mp0 -155.63 114.19 3.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 597' ' ' THR . . . . . 0.525 ' HB ' ' CE1' ' A' ' 599' ' ' HIS . 26.4 p -34.44 119.7 0.44 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.18 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 598' ' ' ILE . . . . . . . . . . . . . 9.6 mt -110.7 45.63 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.129 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 599' ' ' HIS . . . . . 0.525 ' CE1' ' HB ' ' A' ' 597' ' ' THR . 4.9 p80 -132.54 48.68 2.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 600' ' ' LEU . . . . . . . . . . . . . 15.9 mt -148.43 178.21 8.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.94 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 601' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -86.71 162.11 18.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 602' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? -86.45 91.17 8.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 603' ' ' GLY . . . . . . . . . . . . . . . 179.97 167.92 37.86 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.5 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 604' ' ' GLU . . . . . 0.564 ' HG2' HD11 ' A' ' 662' ' ' LEU . 2.3 tp10 -51.84 174.16 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.86 0.362 . . . . 0.0 110.893 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 605' ' ' ASN . . . . . 0.497 ' ND2' ' O ' ' A' ' 663' ' ' VAL . 1.3 p-10 -113.68 146.75 39.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 606' ' ' LEU . . . . . 0.4 ' HB2' ' CB ' ' A' ' 738' ' ' SER . 12.0 tp -136.56 142.89 43.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 607' ' ' PHE . . . . . . . . . . . . . 11.2 t80 -138.51 144.52 40.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 608' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -156.68 142.47 17.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.866 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 609' ' ' ILE . . . . . . . . . . . . . 5.3 mp -120.94 123.11 69.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.122 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 610' ' ' HIS . . . . . 0.527 ' HB3' ' CE2' ' A' ' 732' ' ' TRP . 33.3 t-80 -99.65 140.48 33.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.829 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 50.9 mm -118.35 97.62 5.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.131 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 612' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -60.26 -67.72 0.36 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.92 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 613' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -159.85 176.89 11.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.898 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 614' ' ' VAL . . . . . 0.406 HG22 HG23 ' A' ' 729' ' ' VAL . 66.4 t -129.04 123.71 59.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.105 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 615' ' ' THR . . . . . . . . . . . . . 44.3 m -94.5 146.59 23.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.088 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 616' ' ' PHE . . . . . 0.501 ' HB3' ' CG2' ' A' ' 620' ' ' VAL . 33.2 m-85 -123.73 161.96 24.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 617' ' ' SER . . . . . 0.453 ' O ' HG22 ' A' ' 620' ' ' VAL . 2.9 t -100.42 153.44 19.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.875 -179.799 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 618' ' ' SER . . . . . . . . . . . . . 48.0 t -49.52 -21.27 0.91 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.897 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 619' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -58.2 -51.43 69.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.894 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 620' ' ' VAL . . . . . 0.501 ' CG2' ' HB3' ' A' ' 616' ' ' PHE . 30.1 m -77.72 -21.25 13.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.139 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 621' ' ' LEU . . . . . . . . . . . . . 21.0 mt -66.97 -61.88 1.71 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.947 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 622' ' ' GLN . . . . . . . . . . . . . 72.5 mt-30 -57.27 -52.76 64.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.916 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -44.64 -47.48 10.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.074 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 13.2 t -62.5 -46.98 85.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.852 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 625' ' ' GLY . . . . . . . . . . . . . . . 103.51 -155.84 17.85 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.484 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 626' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -83.64 45.73 1.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.918 0.39 . . . . 0.0 110.863 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 9.9 ptpt -132.61 169.04 17.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.93 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 628' ' ' GLU . . . . . 0.409 ' HA ' ' HD2' ' A' ' 629' ' ' PRO . 18.3 mp0 -115.61 92.76 34.62 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.648 0.737 . . . . 0.0 110.917 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 629' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' ' 628' ' ' GLU . 53.6 Cg_endo -69.8 110.95 2.69 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.689 2.259 . . . . 0.0 112.342 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 630' ' ' VAL . . . . . 0.416 ' CG1' ' CG1' ' A' ' 647' ' ' VAL . 14.6 t -79.91 134.74 26.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.117 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 631' ' ' THR . . . . . . . . . . . . . 71.8 p -153.34 160.88 42.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.087 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 632' ' ' PHE . . . . . 0.458 ' CE2' ' NE2' ' A' ' 683' ' ' HIS . 41.3 p90 -146.46 161.04 41.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.912 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 633' ' ' CYS . . . . . 0.433 ' SG ' HG22 ' A' ' 682' ' ' VAL . 99.0 m -94.65 157.22 16.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 634' ' ' THR . . . . . . . . . . . . . 12.8 p -154.2 138.26 16.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.151 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 635' ' ' TYR . . . . . 0.713 ' CD1' HD12 ' A' ' 680' ' ' LEU . 44.2 p90 -174.37 159.72 3.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.881 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 636' ' ' ALA . . . . . . . . . . . . . . . -112.42 161.48 16.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.079 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 637' ' ' PHE . . . . . 0.443 ' O ' ' C ' ' A' ' 638' ' ' TYR . 3.4 t80 -106.93 154.06 21.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 638' ' ' TYR . . . . . 0.547 ' O ' ' CD2' ' A' ' 640' ' ' PHE . 2.2 t80 -34.43 99.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.935 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 639' ' ' ASP . . . . . . . . . . . . . 3.3 t70 63.33 54.69 1.96 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.862 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 640' ' ' PHE . . . . . 0.547 ' CD2' ' O ' ' A' ' 638' ' ' TYR . 87.4 m-85 -147.68 143.07 27.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -48.59 168.38 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.886 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 642' ' ' LEU . . . . . 0.473 HD13 ' C ' ' A' ' 642' ' ' LEU . 2.8 tm? -79.4 113.55 17.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 643' ' ' GLN . . . . . . . . . . . . . 13.6 mm-40 -79.35 138.34 37.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.927 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 644' ' ' THR . . . . . . . . . . . . . 60.3 m -118.72 128.77 54.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.128 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 645' ' ' THR . . . . . 0.532 HG22 ' CD1' ' A' ' 657' ' ' PHE . 10.8 p -87.92 155.91 52.55 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.571 0.701 . . . . 0.0 111.131 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 646' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 123.57 10.22 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.683 2.255 . . . . 0.0 112.308 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 647' ' ' VAL . . . . . 0.416 ' CG1' ' CG1' ' A' ' 630' ' ' VAL . 25.0 t -68.73 134.69 29.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.14 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 42.0 t -136.82 142.44 37.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.092 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 649' ' ' ARG . . . . . . . . . . . . . 31.5 mtt85 -84.85 141.46 30.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.875 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 650' ' ' GLY . . . . . . . . . . . . . . . 123.21 158.36 10.16 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.508 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 651' ' ' LEU . . . . . 0.449 HD13 ' HA ' ' A' ' 651' ' ' LEU . 3.7 mm? -70.68 -47.81 57.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.859 0.361 . . . . 0.0 110.903 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 652' ' ' HIS . . . . . . . . . . . . . 3.7 m80 -115.97 67.93 3.2 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.585 0.707 . . . . 0.0 110.873 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 653' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 161.95 43.93 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.727 2.285 . . . . 0.0 112.352 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -120.02 105.37 10.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.916 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 655' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 -85.86 -58.99 2.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.927 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 15.1 m-80 63.92 29.57 14.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.862 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 657' ' ' PHE . . . . . 0.532 ' CD1' HG22 ' A' ' 645' ' ' THR . 0.6 OUTLIER -101.39 139.68 36.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 12.7 t -135.21 147.22 49.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.119 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 29.9 t -105.15 136.97 43.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -126.41 132.67 51.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.866 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 661' ' ' TYR . . . . . . . . . . . . . 27.5 m-85 -148.98 133.06 17.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.899 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 662' ' ' LEU . . . . . 0.564 HD11 ' HG2' ' A' ' 604' ' ' GLU . 0.3 OUTLIER -72.53 102.57 3.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.901 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 663' ' ' VAL . . . . . 0.497 ' O ' ' ND2' ' A' ' 605' ' ' ASN . 3.3 m -96.09 140.35 17.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.101 179.839 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 664' ' ' HIS . . . . . 0.557 ' O ' HG13 ' A' ' 665' ' ' VAL . 5.7 p80 -125.73 101.3 6.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.884 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 665' ' ' VAL . . . . . 0.711 HG23 ' HD2' ' A' ' 669' ' ' PHE . 0.0 OUTLIER -162.13 173.18 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.095 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 666' ' ' ASN . . . . . . . . . . . . . 68.4 m-80 -131.44 -70.42 0.59 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 667' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -90.39 -53.13 4.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.817 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 10.9 mp -43.3 -25.42 0.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.901 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 669' ' ' PHE . . . . . 0.711 ' HD2' HG23 ' A' ' 665' ' ' VAL . 0.7 OUTLIER -61.09 -60.5 3.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 670' ' ' LEU . . . . . 0.688 HD22 HD13 ' A' ' 704' ' ' LEU . 85.6 mt -64.4 -51.35 63.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.932 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 671' ' ' GLN . . . . . . . . . . . . . 8.7 mm-40 -49.23 -27.55 3.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 672' ' ' TYR . . . . . 0.494 ' C ' ' CD1' ' A' ' 672' ' ' TYR . 1.7 t80 -73.35 -47.25 43.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.922 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 673' ' ' ILE . . . . . . . . . . . . . 87.5 mt -70.15 -21.74 23.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.134 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 674' ' ' GLN . . . . . . . . . . . . . 8.5 mm-40 -87.61 -55.97 3.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.938 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 675' ' ' LYS . . . . . . . . . . . . . 35.9 mtpt -59.88 -70.1 0.18 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 676' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -103.01 177.76 4.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 677' ' ' THR . . . . . 0.428 ' CG2' ' HB3' ' A' ' 699' ' ' LYS . 20.3 p -135.83 -178.97 5.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.139 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 678' ' ' ILE . . . . . . . . . . . . . 18.9 mt -93.13 145.65 7.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.102 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 679' ' ' THR . . . . . 0.824 HG22 ' OE1' ' A' ' 681' ' ' GLU . 25.4 m -117.73 104.55 11.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.147 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 680' ' ' LEU . . . . . 0.81 HD13 HD11 ' A' ' 698' ' ' LEU . 7.2 tt -111.96 102.19 10.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.93 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 681' ' ' GLU . . . . . 0.824 ' OE1' HG22 ' A' ' 679' ' ' THR . 2.0 mp0 -101.69 134.78 44.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 682' ' ' VAL . . . . . 0.433 HG22 ' SG ' ' A' ' 633' ' ' CYS . 86.7 t -103.93 100.06 9.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.133 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 683' ' ' HIS . . . . . 0.484 ' CD2' ' H ' ' A' ' 683' ' ' HIS . 0.3 OUTLIER -95.83 154.87 17.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.842 179.935 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 684' ' ' GLN . . . . . . . . . . . . . 28.5 tt0 -87.25 159.16 18.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -122.54 102.78 8.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.068 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 686' ' ' TYR . . . . . 0.434 ' O ' ' C ' ' A' ' 687' ' ' SER . 74.7 m-85 -86.32 150.87 24.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.889 -179.845 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 687' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 686' ' ' TYR . 0.3 OUTLIER -34.05 -63.46 0.27 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.866 -179.844 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 688' ' ' THR . . . . . 0.509 HG23 ' OE1' ' A' ' 689' ' ' GLU . 10.2 t -119.99 22.32 11.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.135 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 689' ' ' GLU . . . . . 0.509 ' OE1' HG23 ' A' ' 688' ' ' THR . 7.1 mp0 -141.45 163.4 33.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 690' ' ' TYR . . . . . 0.471 ' CD1' ' C ' ' A' ' 689' ' ' GLU . 42.4 m-85 -154.26 120.18 5.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.906 -179.841 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 691' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -145.72 153.79 41.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.841 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 692' ' ' THR . . . . . 0.45 ' HA ' ' CB ' ' A' ' 683' ' ' HIS . 5.3 m -81.29 151.16 28.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.118 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 693' ' ' ILE . . . . . . . . . . . . . 30.2 pt -130.21 -31.09 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.155 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -135.66 160.66 37.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.089 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 695' ' ' ALA . . . . . . . . . . . . . . . -157.28 123.56 4.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.135 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 696' ' ' CYS . . . . . 0.427 ' HB3' HD23 ' A' ' 716' ' ' LEU . 3.7 p -141.65 158.08 44.27 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.936 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 697' ' ' GLN . . . . . . . . . . . . . 21.0 mp0 -112.66 130.0 56.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 698' ' ' LEU . . . . . 0.81 HD11 HD13 ' A' ' 680' ' ' LEU . 14.0 mt -94.67 135.48 36.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.943 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 699' ' ' LYS . . . . . 0.428 ' HB3' ' CG2' ' A' ' 677' ' ' THR . 2.5 pttt -152.73 125.25 8.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 700' ' ' PHE . . . . . 0.536 ' CD1' ' CD1' ' A' ' 733' ' ' PHE . 3.5 m-85 -94.06 125.3 38.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.915 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 701' ' ' HIS . . . . . . . . . . . . . 48.3 m-70 -89.05 -66.1 0.95 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.891 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 702' ' ' GLU . . . . . 0.594 ' HB2' HG21 ' A' ' 710' ' ' ILE . 23.1 mt-10 -47.91 -31.5 5.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 703' ' ' ILE . . . . . 0.64 ' CG2' HD22 ' A' ' 704' ' ' LEU . 0.0 OUTLIER -47.94 -29.62 2.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.174 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 704' ' ' LEU . . . . . 0.688 HD13 HD22 ' A' ' 670' ' ' LEU . 4.5 mm? -72.71 -44.5 61.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.904 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 705' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -83.73 -64.91 1.08 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.843 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 706' ' ' LYS . . . . . . . . . . . . . 12.9 mttm -82.62 172.68 12.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 707' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -147.42 126.6 12.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.858 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 708' ' ' GLY . . . . . 0.429 ' C ' ' HG2' ' A' ' 734' ' ' ARG . . . 124.43 -147.71 16.6 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.492 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 709' ' ' ARG . . . . . 0.487 ' N ' ' HG2' ' A' ' 734' ' ' ARG . 24.6 ttm180 -66.46 103.88 1.13 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.836 0.35 . . . . 0.0 110.811 -179.831 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 710' ' ' ILE . . . . . 0.594 HG21 ' HB2' ' A' ' 702' ' ' GLU . 53.8 mt -124.79 110.53 25.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.131 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 711' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -66.73 136.06 54.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 712' ' ' CYS . . . . . . . . . . . . . 2.2 m -162.17 165.9 26.32 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 713' ' ' THR . . . . . . . . . . . . . 53.0 p -148.15 164.43 33.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.153 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 714' ' ' ALA . . . . . . . . . . . . . . . -133.57 145.36 50.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.032 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 715' ' ' SER . . . . . . . . . . . . . 78.5 p -89.02 145.84 25.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.894 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 716' ' ' LEU . . . . . 0.427 HD23 ' HB3' ' A' ' 696' ' ' CYS . 16.5 mt -111.6 143.51 42.36 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.874 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 717' ' ' ILE . . . . . . . . . . . . . 5.3 mp -132.78 136.59 55.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.128 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 718' ' ' GLY . . . . . . . . . . . . . . . -67.62 153.57 52.92 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.48 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 719' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -87.06 -34.17 19.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.891 0.377 . . . . 0.0 111.152 -179.851 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 720' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -117.67 -49.81 2.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.938 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 721' ' ' GLY . . . . . . . . . . . . . . . -58.94 -12.82 16.51 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.459 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 722' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 49.22 50.82 17.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.809 0.337 . . . . 0.0 110.878 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 723' ' ' ILE . . . . . 0.426 ' HA ' ' HD2' ' A' ' 724' ' ' PRO . 17.7 mt -106.67 106.65 58.44 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.59 0.709 . . . . 0.0 111.123 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 724' ' ' PRO . . . . . 0.426 ' HD2' ' HA ' ' A' ' 723' ' ' ILE . 54.0 Cg_endo -69.75 -30.52 22.2 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.654 2.236 . . . . 0.0 112.404 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 725' ' ' ASN . . . . . . . . . . . . . 88.8 m-20 -97.61 32.89 2.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 726' ' ' PHE . . . . . . . . . . . . . 14.5 t80 -51.67 -37.47 50.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.921 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 727' ' ' GLY . . . . . . . . . . . . . . . 157.68 171.38 23.58 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.49 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 728' ' ' THR . . . . . . . . . . . . . 3.4 m -117.61 147.71 42.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.818 0.342 . . . . 0.0 111.144 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 729' ' ' VAL . . . . . 0.406 HG23 HG22 ' A' ' 614' ' ' VAL . 10.8 p -110.78 132.93 57.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.128 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -105.11 134.33 48.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 731' ' ' TYR . . . . . . . . . . . . . 13.1 p90 -164.54 164.86 21.64 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.949 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 732' ' ' TRP . . . . . 0.527 ' CE2' ' HB3' ' A' ' 610' ' ' HIS . 57.0 p-90 -144.22 128.91 18.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.926 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 733' ' ' PHE . . . . . 0.536 ' CD1' ' CD1' ' A' ' 700' ' ' PHE . 11.8 p90 -108.03 162.23 14.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.883 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 734' ' ' ARG . . . . . 0.487 ' HG2' ' N ' ' A' ' 709' ' ' ARG . 13.9 mtp-105 -157.53 130.58 7.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.919 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 735' ' ' LEU . . . . . . . . . . . . . 16.4 tp -115.08 105.15 12.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.903 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 736' ' ' ARG . . . . . . . . . . . . . 21.0 ttt180 -137.29 156.64 48.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 737' ' ' VAL . . . . . 0.513 HG22 ' N ' ' A' ' 738' ' ' SER . 15.0 p -55.6 160.12 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.126 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 738' ' ' SER . . . . . 0.513 ' N ' HG22 ' A' ' 737' ' ' VAL . 1.5 t -166.11 118.66 1.07 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 -179.836 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 739' ' ' GLY . . . . . . . . . . . . . . . 161.17 95.36 0.11 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.516 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 740' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 -14.76 36.33 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.65 2.233 . . . . 0.0 112.37 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 23.8 t -165.44 141.07 5.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.807 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 59.8 p -113.51 134.48 54.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.8 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 743' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.465 179.983 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 588' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.484 -0.247 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 66.5 p -160.2 125.23 3.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.896 0.379 . . . . 0.0 110.865 -179.748 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 590' ' ' SER . . . . . . . . . . . . . 5.4 t -153.76 146.29 24.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.847 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 591' ' ' GLY . . . . . . . . . . . . . . . 170.61 177.38 40.62 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.526 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 74.7 m -160.45 127.51 4.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.871 0.367 . . . . 0.0 110.854 -179.762 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 95.3 p -140.35 147.83 40.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.849 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 594' ' ' GLY . . . . . . . . . . . . . . . -46.37 -90.37 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.482 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 595' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -122.91 123.3 40.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.813 0.339 . . . . 0.0 110.87 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 596' ' ' GLU . . . . . . . . . . . . . 38.1 mm-40 -143.9 128.82 18.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 597' ' ' THR . . . . . . . . . . . . . 7.7 t -152.36 153.92 34.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.161 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 598' ' ' ILE . . . . . 0.622 ' H ' HD12 ' A' ' 598' ' ' ILE . 5.3 mp -65.39 116.21 4.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.114 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 599' ' ' HIS . . . . . 0.451 ' C ' ' O ' ' A' ' 598' ' ' ILE . 25.0 m-70 -34.45 114.41 0.21 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.907 179.845 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 600' ' ' LEU . . . . . . . . . . . . . 6.8 mp -74.31 170.37 15.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.872 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 601' ' ' GLU . . . . . . . . . . . . . 13.0 mp0 -78.8 175.84 10.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.847 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 602' ' ' ARG . . . . . . . . . . . . . 26.1 mmm180 -98.81 -54.21 3.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.885 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 603' ' ' GLY . . . . . . . . . . . . . . . -168.55 67.8 0.17 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.516 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 604' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -105.78 167.62 9.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.882 0.372 . . . . 0.0 110.853 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 605' ' ' ASN . . . . . . . . . . . . . 44.8 m-80 -167.79 144.05 4.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.895 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 606' ' ' LEU . . . . . 0.486 HD12 ' O ' ' A' ' 661' ' ' TYR . 4.5 tp -124.92 142.49 51.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 607' ' ' PHE . . . . . 0.564 ' CE1' HD11 ' A' ' 609' ' ' ILE . 7.1 t80 -124.86 111.51 15.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 608' ' ' GLU . . . . . 0.415 ' OE1' ' N ' ' A' ' 608' ' ' GLU . 1.9 mp0 -106.14 145.44 31.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.874 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 609' ' ' ILE . . . . . 0.564 HD11 ' CE1' ' A' ' 607' ' ' PHE . 58.8 mt -145.07 105.61 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.129 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 610' ' ' HIS . . . . . 0.403 ' CD2' ' C ' ' A' ' 610' ' ' HIS . 1.3 t60 -120.76 137.44 54.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.855 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 20.2 mm -103.25 119.01 51.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.14 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 612' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -71.43 -68.07 0.47 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.887 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 613' ' ' LYS . . . . . . . . . . . . . 4.9 pttm -164.28 172.47 13.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 614' ' ' VAL . . . . . . . . . . . . . 60.6 t -120.35 114.79 45.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.161 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 615' ' ' THR . . . . . . . . . . . . . 79.4 m -87.09 137.51 32.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.11 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 616' ' ' PHE . . . . . 0.494 ' CD1' HG11 ' A' ' 620' ' ' VAL . 35.7 m-85 -106.89 163.66 12.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.861 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 617' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 618' ' ' SER . 1.0 OUTLIER -108.0 158.44 17.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.836 -179.795 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 618' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 617' ' ' SER . 71.9 p -36.11 -58.99 0.64 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.85 -179.823 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 619' ' ' GLU . . . . . 0.471 ' O ' ' HB2' ' A' ' 623' ' ' ALA . 4.5 tp10 -42.52 -47.57 5.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.886 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 620' ' ' VAL . . . . . 0.494 HG11 ' CD1' ' A' ' 616' ' ' PHE . 4.9 t -72.0 -36.93 59.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.157 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 621' ' ' LEU . . . . . 0.403 HD12 ' HA ' ' A' ' 618' ' ' SER . 41.3 mt -67.12 -65.56 0.67 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 622' ' ' GLN . . . . . . . . . . . . . 59.5 mt-30 -52.07 -41.97 62.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 623' ' ' ALA . . . . . 0.471 ' HB2' ' O ' ' A' ' 619' ' ' GLU . . . -43.74 -45.05 6.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.082 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 38.1 m -87.73 -48.38 7.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.887 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 625' ' ' GLY . . . . . . . . . . . . . . . 98.74 -130.22 10.15 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.508 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 626' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -85.15 36.73 0.64 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.858 0.361 . . . . 0.0 110.86 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 15.2 mmmt -123.79 162.38 23.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.943 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -112.45 116.03 48.88 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.674 0.749 . . . . 0.0 110.879 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 629' ' ' PRO . . . . . 0.423 ' HD2' HD22 ' A' ' 651' ' ' LEU . 53.4 Cg_endo -69.78 126.59 13.47 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.67 2.247 . . . . 0.0 112.32 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 630' ' ' VAL . . . . . 0.504 HG22 ' HA ' ' A' ' 649' ' ' ARG . 6.5 t -106.7 112.11 38.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.12 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 631' ' ' THR . . . . . . . . . . . . . 30.8 p -143.83 160.69 40.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.16 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 632' ' ' PHE . . . . . 0.634 ' CZ ' ' NE2' ' A' ' 683' ' ' HIS . 4.3 p90 -134.39 147.09 50.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.93 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 633' ' ' CYS . . . . . 0.707 ' O ' HG23 ' A' ' 645' ' ' THR . 0.6 OUTLIER -104.83 166.14 10.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.897 -179.899 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 634' ' ' THR . . . . . 0.538 HG22 ' HA ' ' A' ' 644' ' ' THR . 65.7 p -153.68 144.66 22.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.119 -179.846 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 635' ' ' TYR . . . . . 0.767 ' CD2' HD12 ' A' ' 680' ' ' LEU . 50.3 p90 -175.06 139.27 0.47 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.941 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 636' ' ' ALA . . . . . 0.666 ' HB2' HD12 ' A' ' 642' ' ' LEU . . . -107.36 148.17 29.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.147 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 637' ' ' PHE . . . . . 0.56 ' HE2' HG11 ' A' ' 663' ' ' VAL . 36.6 t80 -111.06 143.61 41.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.95 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 638' ' ' TYR . . . . . 0.526 ' HB3' ' CE2' ' A' ' 640' ' ' PHE . 4.9 t80 44.86 39.52 3.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.934 -179.835 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 639' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 54.43 48.63 20.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.909 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 640' ' ' PHE . . . . . 0.526 ' CE2' ' HB3' ' A' ' 638' ' ' TYR . 13.9 m-85 -103.58 176.09 5.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -57.77 117.74 4.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.887 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 642' ' ' LEU . . . . . 0.666 HD12 ' HB2' ' A' ' 636' ' ' ALA . 2.5 tp -61.21 137.12 58.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.926 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 643' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -117.66 123.03 45.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.915 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 644' ' ' THR . . . . . 0.538 ' HA ' HG22 ' A' ' 634' ' ' THR . 59.7 m -77.32 111.94 13.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.175 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 645' ' ' THR . . . . . 0.707 HG23 ' O ' ' A' ' 633' ' ' CYS . 52.5 p -51.75 150.85 6.73 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.602 0.715 . . . . 0.0 111.137 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 646' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 124.0 10.65 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.723 2.282 . . . . 0.0 112.303 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 647' ' ' VAL . . . . . . . . . . . . . 39.7 t -68.92 134.59 29.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.138 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 99.0 t -143.26 134.52 23.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.171 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 649' ' ' ARG . . . . . 0.504 ' HA ' HG22 ' A' ' 630' ' ' VAL . 7.7 ptt-85 -89.79 120.65 31.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.926 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 650' ' ' GLY . . . . . . . . . . . . . . . 159.08 169.41 22.39 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.462 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 651' ' ' LEU . . . . . 0.423 HD22 ' HD2' ' A' ' 629' ' ' PRO . 4.3 mm? -80.61 -61.09 2.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.832 0.348 . . . . 0.0 110.914 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 652' ' ' HIS . . . . . . . . . . . . . 4.6 m80 -114.1 66.65 1.51 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.64 0.733 . . . . 0.0 110.837 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 653' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 169.95 17.72 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.682 2.254 . . . . 0.0 112.34 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 654' ' ' GLU . . . . . 0.409 ' O ' ' C ' ' A' ' 655' ' ' TYR . 5.2 mm-40 -125.35 77.29 1.63 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 655' ' ' TYR . . . . . 0.409 ' C ' ' O ' ' A' ' 654' ' ' GLU . 69.4 m-85 -36.83 -44.65 0.5 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.928 -179.847 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 4.8 m120 55.05 44.99 27.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.919 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 657' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -104.32 104.93 14.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.899 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 5.3 m -108.95 135.33 50.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.164 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 46.5 p -124.28 144.05 50.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.828 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 56.2 mt-30 -143.17 124.54 14.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.908 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 661' ' ' TYR . . . . . 0.486 ' O ' HD12 ' A' ' 606' ' ' LEU . 91.8 m-85 -147.06 123.73 11.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.896 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 662' ' ' LEU . . . . . 0.438 ' HA ' HD22 ' A' ' 662' ' ' LEU . 0.7 OUTLIER -73.22 101.59 3.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.942 179.946 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 663' ' ' VAL . . . . . 0.56 HG11 ' HE2' ' A' ' 637' ' ' PHE . 29.6 m -104.13 116.9 48.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.124 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 664' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -83.32 99.74 10.21 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.831 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 665' ' ' VAL . . . . . 0.562 HG22 ' N ' ' A' ' 666' ' ' ASN . 7.3 p -145.69 166.75 9.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.111 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 666' ' ' ASN . . . . . 0.562 ' N ' HG22 ' A' ' 665' ' ' VAL . 12.8 m-80 -113.49 -174.97 2.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.913 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 667' ' ' ASP . . . . . 0.562 ' OD2' HD12 ' A' ' 670' ' ' LEU . 4.0 t70 -41.47 -44.12 2.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 668' ' ' LEU . . . . . 0.416 ' C ' ' O ' ' A' ' 667' ' ' ASP . 33.4 mt -35.51 -38.28 0.11 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 669' ' ' PHE . . . . . 0.546 ' HB2' HG21 ' A' ' 665' ' ' VAL . 7.0 t80 -50.52 -51.59 46.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.846 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 670' ' ' LEU . . . . . 0.562 HD12 ' OD2' ' A' ' 667' ' ' ASP . 61.7 mt -42.43 -40.94 2.73 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 671' ' ' GLN . . . . . . . . . . . . . 10.9 mm100 -51.83 -52.35 49.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.913 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 672' ' ' TYR . . . . . 0.466 ' C ' ' CD1' ' A' ' 672' ' ' TYR . 1.4 t80 -43.45 -45.25 6.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 -179.855 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 673' ' ' ILE . . . . . 0.501 ' CD1' HD12 ' A' ' 703' ' ' ILE . 8.8 mt -62.75 -37.46 79.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.172 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 674' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -73.28 -61.57 1.78 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.893 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 675' ' ' LYS . . . . . . . . . . . . . 6.1 mtpm? -60.52 -68.79 0.27 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.923 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 676' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -90.35 161.72 15.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.856 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 4.7 p -137.85 162.54 33.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.139 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 678' ' ' ILE . . . . . 0.445 ' O ' ' N ' ' A' ' 698' ' ' LEU . 4.6 mp -91.06 142.62 12.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.122 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 19.9 m -114.13 127.93 56.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.156 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 680' ' ' LEU . . . . . 0.767 HD12 ' CD2' ' A' ' 635' ' ' TYR . 6.8 tt -132.14 100.97 5.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.958 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 681' ' ' GLU . . . . . 0.401 ' HG2' ' HB1' ' A' ' 695' ' ' ALA . 11.9 mt-10 -97.98 150.98 20.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.924 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 682' ' ' VAL . . . . . . . . . . . . . 69.6 t -123.37 116.81 49.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.113 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 683' ' ' HIS . . . . . 0.634 ' NE2' ' CZ ' ' A' ' 632' ' ' PHE . 0.1 OUTLIER -114.49 156.41 24.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.855 179.924 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 684' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -89.42 142.58 27.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -98.17 109.15 21.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.093 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 686' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -99.14 168.02 10.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.886 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 687' ' ' SER . . . . . . . . . . . . . 39.1 t -50.55 -61.02 2.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.846 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 688' ' ' THR . . . . . . . . . . . . . 73.2 p -132.15 32.87 3.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.151 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 689' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -141.44 156.78 45.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 690' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -148.9 119.37 7.39 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.963 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 691' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -149.48 151.92 34.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.923 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 692' ' ' THR . . . . . . . . . . . . . 1.8 m -82.57 145.21 29.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.142 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 693' ' ' ILE . . . . . 0.522 HG22 ' HE2' ' A' ' 720' ' ' LYS . 2.8 pp -126.44 -7.78 5.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.163 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 694' ' ' ALA . . . . . 0.49 ' HA ' HG23 ' A' ' 719' ' ' THR . . . -165.91 149.94 8.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.106 179.824 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 695' ' ' ALA . . . . . 0.401 ' HB1' ' HG2' ' A' ' 681' ' ' GLU . . . -151.87 134.79 15.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.155 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 696' ' ' CYS . . . . . 0.442 ' HB3' HD23 ' A' ' 716' ' ' LEU . 16.7 p -146.44 165.47 29.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.867 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 697' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -117.69 112.09 20.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.926 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 698' ' ' LEU . . . . . 0.445 ' N ' ' O ' ' A' ' 678' ' ' ILE . 21.3 mt -70.05 125.52 26.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.922 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 699' ' ' LYS . . . . . . . . . . . . . 7.6 ptpt -150.14 129.53 12.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.919 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 700' ' ' PHE . . . . . 0.549 ' CD1' ' CE1' ' A' ' 733' ' ' PHE . 2.1 m-85 -108.38 125.26 51.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.861 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 701' ' ' HIS . . . . . . . . . . . . . 37.9 m-70 -89.26 -60.79 1.85 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.836 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 702' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -51.32 -29.14 14.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.904 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 703' ' ' ILE . . . . . 0.715 ' CG2' HD22 ' A' ' 704' ' ' LEU . 0.0 OUTLIER -54.51 -27.7 17.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.121 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 704' ' ' LEU . . . . . 0.715 HD22 ' CG2' ' A' ' 703' ' ' ILE . 4.2 mm? -74.46 -50.52 18.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.913 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 705' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -73.18 -56.53 4.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.936 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 706' ' ' LYS . . . . . . . . . . . . . 14.7 mttp -89.05 147.61 24.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.884 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 707' ' ' SER . . . . . . . . . . . . . 15.0 m -122.13 108.7 13.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.844 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 708' ' ' GLY . . . . . . . . . . . . . . . 137.55 -149.73 20.47 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.512 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 709' ' ' ARG . . . . . 0.454 ' O ' ' CD ' ' A' ' 709' ' ' ARG . 0.9 OUTLIER -60.52 117.13 4.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.805 0.336 . . . . 0.0 110.865 -179.889 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 710' ' ' ILE . . . . . 0.443 ' CD1' ' HA ' ' A' ' 703' ' ' ILE . 41.2 mt -138.69 110.71 5.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.17 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 711' ' ' PHE . . . . . . . . . . . . . 38.3 m-85 -79.23 127.8 32.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.88 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 712' ' ' CYS . . . . . . . . . . . . . 1.8 m -154.91 173.24 16.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.836 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 713' ' ' THR . . . . . . . . . . . . . 37.8 p -146.31 166.72 25.45 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.115 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 714' ' ' ALA . . . . . . . . . . . . . . . -136.21 137.53 40.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.118 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 715' ' ' SER . . . . . . . . . . . . . 63.6 m -78.56 149.49 33.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.812 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 716' ' ' LEU . . . . . 0.442 HD23 ' HB3' ' A' ' 696' ' ' CYS . 10.2 mt -116.69 139.48 50.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.912 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 717' ' ' ILE . . . . . . . . . . . . . 4.5 mp -123.71 122.4 64.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.193 179.793 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 718' ' ' GLY . . . . . . . . . . . . . . . -49.84 170.0 0.18 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.519 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 719' ' ' THR . . . . . 0.49 HG23 ' HA ' ' A' ' 694' ' ' ALA . 34.3 p -111.31 -24.22 10.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.888 0.375 . . . . 0.0 111.182 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 720' ' ' LYS . . . . . 0.522 ' HE2' HG22 ' A' ' 693' ' ' ILE . 0.0 OUTLIER -95.09 -71.81 0.65 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 179.891 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 721' ' ' GLY . . . . . 0.419 ' O ' ' C ' ' A' ' 722' ' ' ASP . . . -82.93 20.67 9.1 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.776 -0.725 . . . . 0.0 112.489 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 722' ' ' ASP . . . . . 0.419 ' C ' ' O ' ' A' ' 721' ' ' GLY . 7.1 m-20 36.18 45.0 0.3 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.798 0.332 . . . . 0.0 110.884 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 723' ' ' ILE . . . . . . . . . . . . . 56.6 mt -69.65 112.82 13.4 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.609 0.718 . . . . 0.0 111.123 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 724' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -46.26 1.3 Allowed 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.687 2.258 . . . . 0.0 112.312 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 725' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 -92.1 48.91 1.46 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.904 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 726' ' ' PHE . . . . . . . . . . . . . 27.6 t80 -67.01 -37.47 84.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.906 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 727' ' ' GLY . . . . . . . . . . . . . . . 159.0 172.92 26.72 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.476 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 728' ' ' THR . . . . . . . . . . . . . 2.7 m -120.01 144.16 47.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.892 0.377 . . . . 0.0 111.136 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 729' ' ' VAL . . . . . . . . . . . . . 13.0 p -102.19 134.58 42.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.096 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -105.52 107.02 17.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.882 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 731' ' ' TYR . . . . . . . . . . . . . 5.0 p90 -127.72 176.1 7.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 732' ' ' TRP . . . . . 0.555 ' CZ2' ' HB2' ' A' ' 734' ' ' ARG . 7.2 t90 -153.36 137.42 16.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.935 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 733' ' ' PHE . . . . . 0.549 ' CE1' ' CD1' ' A' ' 700' ' ' PHE . 19.3 p90 -133.98 152.99 52.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.879 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 734' ' ' ARG . . . . . 0.555 ' HB2' ' CZ2' ' A' ' 732' ' ' TRP . 18.1 ttp180 -145.88 131.16 18.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.854 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 735' ' ' LEU . . . . . . . . . . . . . 12.7 tp -128.52 107.67 9.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 736' ' ' ARG . . . . . 0.405 ' O ' ' C ' ' A' ' 737' ' ' VAL . 16.1 tpp180 -142.06 151.11 42.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.826 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 737' ' ' VAL . . . . . 0.405 ' C ' ' O ' ' A' ' 736' ' ' ARG . 1.5 p -37.68 -40.46 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.129 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 738' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 72.8 35.84 0.99 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.847 -179.835 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 739' ' ' GLY . . . . . . . . . . . . . . . -59.25 -146.74 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.51 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 740' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 109.79 2.4 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.69 2.26 . . . . 0.0 112.344 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 7.6 t -69.51 122.86 19.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.813 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 58.6 m -106.23 -46.4 4.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.865 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 743' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.491 -179.975 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 588' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 N-CA-C 112.521 -0.231 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 3.6 t -111.92 -59.03 2.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.84 0.352 . . . . 0.0 110.841 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 590' ' ' SER . . . . . . . . . . . . . 8.5 t 67.4 42.04 2.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.872 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 591' ' ' GLY . . . . . . . . . . . . . . . -117.11 -50.91 0.38 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.531 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 3.1 m 46.3 42.13 9.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.853 0.359 . . . . 0.0 110.854 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 59.7 p -148.07 141.3 25.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.858 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 594' ' ' GLY . . . . . . . . . . . . . . . 118.32 -141.16 15.96 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.498 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 595' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -156.67 148.44 22.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.768 0.318 . . . . 0.0 110.885 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 596' ' ' GLU . . . . . . . . . . . . . 47.0 tt0 -165.02 129.73 2.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.859 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 597' ' ' THR . . . . . . . . . . . . . 27.9 p -119.15 104.49 10.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.165 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 598' ' ' ILE . . . . . 0.405 ' O ' ' C ' ' A' ' 599' ' ' HIS . 36.4 mm -80.42 113.15 19.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.091 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 599' ' ' HIS . . . . . 0.405 ' C ' ' O ' ' A' ' 598' ' ' ILE . 6.8 t60 -37.12 127.34 0.96 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.867 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 600' ' ' LEU . . . . . 0.441 HD22 ' N ' ' A' ' 600' ' ' LEU . 3.3 mm? -77.77 71.72 4.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.898 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 601' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -69.1 176.85 2.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 602' ' ' ARG . . . . . . . . . . . . . 5.3 mmp_? -91.02 179.09 5.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 603' ' ' GLY . . . . . . . . . . . . . . . -75.7 46.8 2.05 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.483 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 604' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -113.79 100.08 8.18 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.847 0.356 . . . . 0.0 110.886 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 605' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -113.95 128.17 56.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 606' ' ' LEU . . . . . . . . . . . . . 45.9 tp -93.24 130.37 38.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 607' ' ' PHE . . . . . 0.79 ' CD1' ' CZ ' ' A' ' 637' ' ' PHE . 19.6 t80 -137.0 139.73 41.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 608' ' ' GLU . . . . . 0.584 ' OE2' ' CH2' ' A' ' 732' ' ' TRP . 3.0 pp20? -154.52 165.58 36.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.894 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 609' ' ' ILE . . . . . 0.664 HD11 ' HE1' ' A' ' 607' ' ' PHE . 5.3 mp -139.15 114.47 8.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.142 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 610' ' ' HIS . . . . . 0.436 ' HB3' ' NE1' ' A' ' 732' ' ' TRP . 8.6 t60 -99.63 116.31 31.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.833 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 49.2 mm -87.54 117.78 32.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.161 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 612' ' ' ASN . . . . . . . . . . . . . 44.3 t-20 -72.19 -62.75 1.32 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.884 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 613' ' ' LYS . . . . . . . . . . . . . 14.5 pttp -170.43 176.41 4.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.863 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 614' ' ' VAL . . . . . 0.663 HG23 ' HE2' ' A' ' 655' ' ' TYR . 88.6 t -115.08 115.47 49.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.143 179.822 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 615' ' ' THR . . . . . . . . . . . . . 95.3 m -87.26 135.72 33.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.162 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 616' ' ' PHE . . . . . 0.501 ' CD1' HG11 ' A' ' 620' ' ' VAL . 33.4 m-85 -112.24 166.71 11.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.893 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -125.78 163.31 23.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.846 -179.808 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 618' ' ' SER . . . . . . . . . . . . . 73.4 m -39.89 -60.62 0.98 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.873 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 619' ' ' GLU . . . . . 0.409 ' HB3' HD13 ' A' ' 723' ' ' ILE . 44.0 mm-40 -41.54 -35.96 0.82 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 620' ' ' VAL . . . . . 0.501 HG11 ' CD1' ' A' ' 616' ' ' PHE . 5.4 t -82.38 -56.34 6.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.105 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 621' ' ' LEU . . . . . 0.554 HD23 HD12 ' A' ' 651' ' ' LEU . 15.9 mt -46.82 -39.62 12.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 622' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -74.38 -49.38 22.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.919 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -43.31 -48.07 6.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.063 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 22.8 t -77.2 -43.52 33.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.855 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 625' ' ' GLY . . . . . . . . . . . . . . . 112.84 -163.0 12.19 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.459 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 626' ' ' ASP . . . . . . . . . . . . . 57.0 m-20 -83.82 41.37 0.79 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.841 0.353 . . . . 0.0 110.862 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 19.0 mmtp -123.49 176.98 5.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.927 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 628' ' ' GLU . . . . . 0.425 ' HA ' ' HD2' ' A' ' 629' ' ' PRO . 44.4 mt-10 -103.3 99.4 14.68 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.677 0.751 . . . . 0.0 110.893 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 629' ' ' PRO . . . . . 0.633 ' HD2' HD22 ' A' ' 651' ' ' LEU . 53.6 Cg_endo -69.76 110.38 2.54 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.704 2.269 . . . . 0.0 112.312 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 630' ' ' VAL . . . . . 0.57 HG12 ' CG2' ' A' ' 647' ' ' VAL . 11.2 t -86.8 120.6 36.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.15 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 631' ' ' THR . . . . . 0.45 ' O ' HG23 ' A' ' 647' ' ' VAL . 44.4 p -145.03 170.76 15.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.148 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 632' ' ' PHE . . . . . . . . . . . . . 25.1 p90 -155.42 152.94 29.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.905 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 633' ' ' CYS . . . . . 0.412 ' SG ' HG22 ' A' ' 682' ' ' VAL . 73.8 m -94.31 139.37 31.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.852 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 634' ' ' THR . . . . . . . . . . . . . 67.0 p -142.21 125.74 16.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.165 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 635' ' ' TYR . . . . . 0.4 ' CD1' HD12 ' A' ' 680' ' ' LEU . 18.6 p90 -170.2 169.57 7.74 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.955 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 636' ' ' ALA . . . . . . . . . . . . . . . -116.24 152.45 33.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.088 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 637' ' ' PHE . . . . . 0.79 ' CZ ' ' CD1' ' A' ' 607' ' ' PHE . 55.4 t80 -118.92 118.9 32.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.866 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 638' ' ' TYR . . . . . . . . . . . . . 6.3 t80 70.07 32.12 3.08 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.92 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 639' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 62.65 35.31 14.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.854 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 640' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -96.66 179.42 4.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -61.46 125.17 22.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.865 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 642' ' ' LEU . . . . . . . . . . . . . 1.6 tp -54.45 137.02 43.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.906 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 643' ' ' GLN . . . . . . . . . . . . . 7.7 tp-100 -113.44 119.56 38.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.901 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 644' ' ' THR . . . . . . . . . . . . . 49.3 m -85.17 121.5 28.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.167 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 645' ' ' THR . . . . . . . . . . . . . 52.1 p -79.13 153.1 77.11 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.578 0.704 . . . . 0.0 111.153 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 646' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 103.06 1.1 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.668 2.245 . . . . 0.0 112.343 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 647' ' ' VAL . . . . . 0.57 ' CG2' HG12 ' A' ' 630' ' ' VAL . 9.5 p -68.72 138.77 21.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.12 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 31.3 m -136.09 158.9 38.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.117 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 649' ' ' ARG . . . . . 0.415 ' N ' ' HD2' ' A' ' 649' ' ' ARG . 3.3 mpt_? -85.4 149.2 25.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.837 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 650' ' ' GLY . . . . . . . . . . . . . . . 125.01 166.45 12.37 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.477 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 651' ' ' LEU . . . . . 0.633 HD22 ' HD2' ' A' ' 629' ' ' PRO . 4.3 mm? -80.49 -65.61 0.99 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.825 0.345 . . . . 0.0 110.858 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 652' ' ' HIS . . . . . 0.486 ' CE1' ' H ' ' A' ' 616' ' ' PHE . 18.2 m170 -111.9 64.42 0.65 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.591 0.71 . . . . 0.0 110.852 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 653' ' ' PRO . . . . . 0.462 ' HD3' ' C ' ' A' ' 651' ' ' LEU . 54.1 Cg_endo -69.75 -174.06 0.83 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.653 2.235 . . . . 0.0 112.348 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -135.03 103.87 5.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.882 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 655' ' ' TYR . . . . . 0.663 ' HE2' HG23 ' A' ' 614' ' ' VAL . 14.9 m-85 -71.94 -56.92 4.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.922 -179.864 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 63.38 40.56 8.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.864 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 657' ' ' PHE . . . . . 0.539 ' CZ ' ' HB2' ' A' ' 659' ' ' SER . 3.5 t80 -84.41 135.57 34.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.85 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 39.3 m -135.52 136.88 41.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.169 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 659' ' ' SER . . . . . 0.539 ' HB2' ' CZ ' ' A' ' 657' ' ' PHE . 1.6 t -152.42 121.32 6.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.843 -179.853 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -110.28 147.58 33.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.879 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 661' ' ' TYR . . . . . . . . . . . . . 38.6 m-85 -150.76 132.87 15.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.916 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 662' ' ' LEU . . . . . 0.414 HD22 ' HA ' ' A' ' 662' ' ' LEU . 0.4 OUTLIER -72.63 114.29 10.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.959 179.916 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 663' ' ' VAL . . . . . 0.407 ' O ' HG23 ' A' ' 663' ' ' VAL . 15.4 m -115.64 119.18 61.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.1 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 664' ' ' HIS . . . . . . . . . . . . . 28.8 p-80 -88.26 97.66 11.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.852 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 665' ' ' VAL . . . . . 0.524 HG11 ' CD2' ' A' ' 669' ' ' PHE . 1.1 p -146.15 153.95 13.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.108 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 666' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -102.31 -174.04 2.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 667' ' ' ASP . . . . . 0.494 ' O ' ' N ' ' A' ' 669' ' ' PHE . 2.4 m-20 -41.55 -43.66 2.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 668' ' ' LEU . . . . . 0.457 ' C ' ' O ' ' A' ' 667' ' ' ASP . 4.3 mm? -33.95 -33.94 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 669' ' ' PHE . . . . . 0.524 ' CD2' HG11 ' A' ' 665' ' ' VAL . 42.1 t80 -53.1 -50.66 63.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.874 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 670' ' ' LEU . . . . . . . . . . . . . 38.9 mt -43.33 -45.22 5.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 671' ' ' GLN . . . . . 0.413 ' O ' ' C ' ' A' ' 672' ' ' TYR . 35.1 mt-30 -56.94 -58.48 7.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.923 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 672' ' ' TYR . . . . . 0.441 ' CD1' ' C ' ' A' ' 672' ' ' TYR . 0.3 OUTLIER -37.07 -37.71 0.17 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.895 -179.806 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 673' ' ' ILE . . . . . 0.482 HD13 HG21 ' A' ' 703' ' ' ILE . 88.7 mt -61.19 -55.16 26.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.149 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 674' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -68.15 -45.7 72.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 675' ' ' LYS . . . . . . . . . . . . . 33.8 mmtt -58.5 -64.87 0.77 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.92 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 676' ' ' ASN . . . . . 0.4 ' O ' ' O ' ' A' ' 673' ' ' ILE . 9.6 m-20 -111.4 164.22 13.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.893 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 20.0 p -125.55 164.57 20.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.128 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 678' ' ' ILE . . . . . . . . . . . . . 17.5 mt -87.46 133.08 31.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.135 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 55.6 m -100.57 107.85 19.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.164 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 680' ' ' LEU . . . . . 0.769 HD23 ' O ' ' A' ' 680' ' ' LEU . 6.1 tt -119.72 102.26 8.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.874 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 681' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 -106.87 137.01 45.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.897 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 682' ' ' VAL . . . . . 0.412 HG22 ' SG ' ' A' ' 633' ' ' CYS . 97.6 t -108.67 108.11 24.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.098 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 683' ' ' HIS . . . . . 0.421 ' CD2' ' H ' ' A' ' 683' ' ' HIS . 0.3 OUTLIER -95.5 155.11 16.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.83 179.925 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 684' ' ' GLN . . . . . 0.434 ' HG3' HG21 ' A' ' 693' ' ' ILE . 49.9 mt-30 -83.62 159.3 21.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.947 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -115.52 104.73 12.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.075 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 686' ' ' TYR . . . . . 0.599 ' CE1' ' OE1' ' A' ' 691' ' ' GLU . 39.2 p90 -128.67 132.29 48.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.962 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 687' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 686' ' ' TYR . 78.5 p 36.32 46.98 0.44 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.883 -179.85 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 688' ' ' THR . . . . . . . . . . . . . 2.3 p 62.77 38.57 11.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.154 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 689' ' ' GLU . . . . . 0.582 ' HB2' ' CE2' ' A' ' 686' ' ' TYR . 20.6 mt-10 -131.2 155.54 46.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 690' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -132.8 137.18 46.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.941 -179.856 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 691' ' ' GLU . . . . . 0.599 ' OE1' ' CE1' ' A' ' 686' ' ' TYR . 12.6 pt-20 -144.61 114.56 7.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.902 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 692' ' ' THR . . . . . . . . . . . . . 10.5 m -46.38 102.59 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.155 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 693' ' ' ILE . . . . . 0.589 HG23 ' O ' ' A' ' 691' ' ' GLU . 2.6 pp -95.74 -35.04 5.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.126 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 694' ' ' ALA . . . . . 0.57 ' CB ' HD12 ' A' ' 693' ' ' ILE . . . -142.15 145.03 33.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.102 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 695' ' ' ALA . . . . . . . . . . . . . . . -135.06 150.15 50.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.095 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 696' ' ' CYS . . . . . . . . . . . . . 22.0 p -156.32 160.0 39.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 697' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -117.8 117.24 28.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.958 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 698' ' ' LEU . . . . . 0.653 HD11 HD13 ' A' ' 680' ' ' LEU . 15.7 mt -84.55 132.58 34.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.938 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 699' ' ' LYS . . . . . . . . . . . . . 8.6 ptpt -151.74 134.53 15.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 700' ' ' PHE . . . . . 0.694 ' CD2' ' CD1' ' A' ' 733' ' ' PHE . 3.4 m-85 -107.25 125.88 51.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.888 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 701' ' ' HIS . . . . . . . . . . . . . 29.2 m-70 -91.68 -55.43 3.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.878 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 702' ' ' GLU . . . . . 0.409 ' HB2' HG21 ' A' ' 710' ' ' ILE . 43.9 mm-40 -47.24 -43.43 21.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 703' ' ' ILE . . . . . 0.557 ' HB ' ' CE2' ' A' ' 733' ' ' PHE . 17.8 tt -46.29 -29.44 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.1 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 704' ' ' LEU . . . . . . . . . . . . . 17.5 mt -56.85 -40.19 75.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.945 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 705' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -103.46 -47.8 4.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 706' ' ' LYS . . . . . . . . . . . . . 85.2 mttt -89.99 -179.72 5.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 707' ' ' SER . . . . . . . . . . . . . 47.8 m -159.07 105.13 1.73 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.858 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 708' ' ' GLY . . . . . 0.4 ' C ' ' HA ' ' A' ' 734' ' ' ARG . . . 142.42 -153.34 24.41 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.536 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 709' ' ' ARG . . . . . 0.433 ' C ' HG13 ' A' ' 710' ' ' ILE . 13.0 ttm180 -61.55 116.7 4.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.776 0.322 . . . . 0.0 110.888 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 710' ' ' ILE . . . . . 0.492 HD12 ' CZ ' ' A' ' 733' ' ' PHE . 23.6 mt -141.27 114.6 4.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.109 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 711' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -58.61 117.29 4.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 712' ' ' CYS . . . . . . . . . . . . . 1.7 p -148.22 168.12 23.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.934 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 713' ' ' THR . . . . . . . . . . . . . 52.4 p -150.28 168.83 22.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.093 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 714' ' ' ALA . . . . . 0.63 ' O ' HG23 ' A' ' 728' ' ' THR . . . -137.65 153.86 49.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.094 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 715' ' ' SER . . . . . . . . . . . . . 41.3 p -93.43 160.4 14.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.856 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 716' ' ' LEU . . . . . . . . . . . . . 15.0 mt -125.02 140.03 53.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.938 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 717' ' ' ILE . . . . . 0.476 ' N ' HD12 ' A' ' 717' ' ' ILE . 4.6 mp -128.66 132.29 67.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.132 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 718' ' ' GLY . . . . . . . . . . . . . . . -74.78 137.84 22.94 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.49 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 719' ' ' THR . . . . . . . . . . . . . 19.7 p -78.03 -61.47 1.99 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.876 0.37 . . . . 0.0 111.141 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 720' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.39 42.85 0.77 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.94 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 721' ' ' GLY . . . . . . . . . . . . . . . -167.95 -31.36 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.458 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 722' ' ' ASP . . . . . . . . . . . . . 27.6 t70 65.41 41.72 4.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.781 0.324 . . . . 0.0 110.856 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 723' ' ' ILE . . . . . 0.409 HD13 ' HB3' ' A' ' 619' ' ' GLU . 67.3 mt -95.86 109.65 47.47 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.588 0.709 . . . . 0.0 111.12 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 724' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -32.53 18.3 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.67 2.246 . . . . 0.0 112.343 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 725' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -87.44 37.27 0.77 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.913 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 726' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -62.68 -50.44 71.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 727' ' ' GLY . . . . . . . . . . . . . . . 161.83 177.88 35.26 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.511 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 728' ' ' THR . . . . . 0.63 HG23 ' O ' ' A' ' 714' ' ' ALA . 7.8 m -126.68 147.27 49.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.823 0.344 . . . . 0.0 111.103 -179.818 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 729' ' ' VAL . . . . . 0.452 HG12 ' HB3' ' A' ' 714' ' ' ALA . 12.8 p -106.43 142.09 20.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.123 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -108.72 124.2 50.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.861 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 731' ' ' TYR . . . . . 0.423 ' CE2' HD22 ' A' ' 698' ' ' LEU . 4.7 p90 -156.34 163.7 39.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.92 -179.847 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 732' ' ' TRP . . . . . 0.584 ' CH2' ' OE2' ' A' ' 608' ' ' GLU . 57.6 p-90 -139.93 125.08 18.72 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.918 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 733' ' ' PHE . . . . . 0.694 ' CD1' ' CD2' ' A' ' 700' ' ' PHE . 38.0 p90 -106.13 158.03 17.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 734' ' ' ARG . . . . . 0.4 ' HA ' ' C ' ' A' ' 708' ' ' GLY . 51.3 ttt180 -148.9 116.31 6.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.827 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 735' ' ' LEU . . . . . . . . . . . . . 8.5 tp -113.65 104.81 12.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.925 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 736' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? -152.66 153.89 34.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.838 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 737' ' ' VAL . . . . . . . . . . . . . 8.1 p -57.65 137.09 20.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.129 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 738' ' ' SER . . . . . . . . . . . . . 24.4 p -75.15 133.58 41.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.826 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 739' ' ' GLY . . . . . . . . . . . . . . . -120.59 -141.12 6.18 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.455 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 740' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 101.97 0.97 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.729 2.286 . . . . 0.0 112.316 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 25.1 t -112.72 138.46 49.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 79.8 p -81.51 41.96 0.65 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.864 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 743' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.496 -179.995 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 588' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 79.2 p -161.1 157.16 25.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.906 0.384 . . . . 0.0 110.865 -179.718 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 590' ' ' SER . . . . . . . . . . . . . 66.6 m -75.81 163.05 27.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.9 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 591' ' ' GLY . . . . . . . . . . . . . . . 174.04 125.19 0.83 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.504 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 67.6 m -115.23 92.24 3.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.857 0.361 . . . . 0.0 110.836 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 3.2 m -39.53 -46.64 1.77 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.901 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 594' ' ' GLY . . . . . . . . . . . . . . . -178.96 73.57 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.52 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 595' ' ' ASP . . . . . . . . . . . . . 3.1 t0 69.47 25.04 5.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.761 0.315 . . . . 0.0 110.865 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 596' ' ' GLU . . . . . . . . . . . . . 48.8 mm-40 49.95 41.86 23.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.868 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 597' ' ' THR . . . . . . . . . . . . . 15.6 p -134.63 119.31 18.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.115 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 598' ' ' ILE . . . . . . . . . . . . . 59.5 mt -95.85 -55.05 6.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.171 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 599' ' ' HIS . . . . . . . . . . . . . 35.1 m80 -130.65 162.72 28.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.85 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 600' ' ' LEU . . . . . 0.568 HD23 HH22 ' A' ' 736' ' ' ARG . 25.6 mt -121.11 113.29 19.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.957 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 601' ' ' GLU . . . . . 0.812 ' HB2' HG11 ' A' ' 737' ' ' VAL . 28.4 mm-40 -49.91 173.49 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 602' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -127.65 36.6 4.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 603' ' ' GLY . . . . . . . . . . . . . . . -119.07 -170.72 14.73 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.435 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 604' ' ' GLU . . . . . 0.795 ' CG ' HD11 ' A' ' 662' ' ' LEU . 3.2 tp10 -39.59 134.73 1.26 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.846 0.355 . . . . 0.0 110.897 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 605' ' ' ASN . . . . . . . . . . . . . 36.6 m-80 -115.1 165.16 13.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 606' ' ' LEU . . . . . 0.601 HD12 ' O ' ' A' ' 661' ' ' TYR . 5.5 tp -141.59 131.07 23.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.934 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 607' ' ' PHE . . . . . 0.423 ' CE2' HD11 ' A' ' 609' ' ' ILE . 9.8 t80 -120.33 134.17 55.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.851 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 608' ' ' GLU . . . . . 0.495 ' OE1' ' N ' ' A' ' 608' ' ' GLU . 13.6 pm0 -140.21 139.44 35.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.905 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 609' ' ' ILE . . . . . 0.423 HD11 ' CE2' ' A' ' 607' ' ' PHE . 5.3 mp -123.73 112.7 34.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.123 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 610' ' ' HIS . . . . . 0.691 ' HB2' HG23 ' A' ' 658' ' ' THR . 0.3 OUTLIER -96.91 134.34 40.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.816 179.9 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 45.5 mm -99.13 103.78 15.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.095 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 612' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -58.52 -66.33 0.51 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 613' ' ' LYS . . . . . . . . . . . . . 6.7 pttp -166.95 178.16 5.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 614' ' ' VAL . . . . . 0.499 HG23 ' HE2' ' A' ' 655' ' ' TYR . 98.1 t -125.61 127.81 71.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.114 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 615' ' ' THR . . . . . . . . . . . . . 31.3 m -108.64 143.89 37.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.13 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 616' ' ' PHE . . . . . 0.484 ' HB3' ' CG2' ' A' ' 620' ' ' VAL . 42.6 m-85 -124.07 167.83 13.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.895 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 617' ' ' SER . . . . . 0.494 ' O ' ' N ' ' A' ' 619' ' ' GLU . 23.2 t -114.24 154.95 27.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.865 -179.834 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 618' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 617' ' ' SER . 13.1 t -35.84 -30.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.8 -179.843 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 619' ' ' GLU . . . . . 0.494 ' N ' ' O ' ' A' ' 617' ' ' SER . 7.3 mm-40 -45.45 -68.47 0.19 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.858 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 620' ' ' VAL . . . . . 0.484 ' CG2' ' HB3' ' A' ' 616' ' ' PHE . 3.3 m -66.6 -44.01 90.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.109 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 621' ' ' LEU . . . . . 0.478 ' N ' ' CG2' ' A' ' 620' ' ' VAL . 12.5 mt -39.61 -41.04 0.98 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.925 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 622' ' ' GLN . . . . . . . . . . . . . 9.0 mm-40 -78.0 -43.71 28.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.915 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -49.58 -44.73 47.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.111 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 19.2 m -77.66 -62.46 1.66 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 625' ' ' GLY . . . . . . . . . . . . . . . 115.37 -149.49 18.84 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.478 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 626' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -85.22 43.42 1.01 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.902 0.382 . . . . 0.0 110.86 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 627' ' ' LYS . . . . . 0.401 ' O ' ' HD3' ' A' ' 629' ' ' PRO . 28.4 pttt -129.22 161.64 29.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 628' ' ' GLU . . . . . 0.431 ' HA ' ' HD2' ' A' ' 629' ' ' PRO . 35.0 mt-10 -97.22 103.16 14.45 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.661 0.743 . . . . 0.0 110.892 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 629' ' ' PRO . . . . . 0.431 ' HD2' ' HA ' ' A' ' 628' ' ' GLU . 54.1 Cg_endo -69.72 114.98 3.88 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.726 2.284 . . . . 0.0 112.37 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 630' ' ' VAL . . . . . 0.452 HG12 ' CG2' ' A' ' 647' ' ' VAL . 13.0 t -89.82 124.46 42.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.159 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 631' ' ' THR . . . . . 0.519 HG22 ' HG2' ' A' ' 684' ' ' GLN . 81.1 p -143.04 163.32 33.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.12 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 632' ' ' PHE . . . . . 0.403 ' CD1' ' O ' ' A' ' 632' ' ' PHE . 15.3 p90 -147.88 141.5 25.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 633' ' ' CYS . . . . . . . . . . . . . 35.2 m -90.4 154.66 19.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.838 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 634' ' ' THR . . . . . . . . . . . . . 6.3 p -154.17 132.81 12.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.164 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 635' ' ' TYR . . . . . . . . . . . . . 10.5 p90 -160.87 177.78 10.06 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.919 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 636' ' ' ALA . . . . . . . . . . . . . . . -151.14 155.13 38.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.114 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 637' ' ' PHE . . . . . 0.632 ' CE2' HG11 ' A' ' 663' ' ' VAL . 14.1 t80 -112.76 138.99 48.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.921 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 638' ' ' TYR . . . . . 0.574 ' HB2' ' CE2' ' A' ' 640' ' ' PHE . 16.9 m-85 42.84 40.49 2.13 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.915 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 639' ' ' ASP . . . . . . . . . . . . . 45.0 m-20 58.33 37.66 25.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.853 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 640' ' ' PHE . . . . . 0.574 ' CE2' ' HB2' ' A' ' 638' ' ' TYR . 16.6 m-85 -89.81 175.02 7.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.927 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -52.11 129.14 26.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 642' ' ' LEU . . . . . . . . . . . . . 8.3 tp -65.31 141.58 58.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.911 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 643' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -113.32 115.95 28.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 644' ' ' THR . . . . . . . . . . . . . 31.6 m -84.65 112.7 20.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.132 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 645' ' ' THR . . . . . . . . . . . . . 20.3 p -70.81 154.82 94.08 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.577 0.703 . . . . 0.0 111.127 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 646' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.85 106.24 1.64 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.669 2.246 . . . . 0.0 112.353 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 647' ' ' VAL . . . . . 0.51 HG23 ' O ' ' A' ' 631' ' ' THR . 11.4 p -68.79 135.69 27.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.146 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 12.0 t -129.75 145.51 35.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.108 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 649' ' ' ARG . . . . . . . . . . . . . 29.5 mtm180 -84.67 116.19 23.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.845 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 650' ' ' GLY . . . . . . . . . . . . . . . 151.74 176.49 24.54 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.464 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 651' ' ' LEU . . . . . 0.442 ' C ' ' HD3' ' A' ' 653' ' ' PRO . 38.1 mt -85.28 -59.21 2.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.816 0.341 . . . . 0.0 110.952 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 652' ' ' HIS . . . . . . . . . . . . . 4.1 m170 -111.39 66.31 0.61 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.603 0.716 . . . . 0.0 110.845 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 653' ' ' PRO . . . . . 0.442 ' HD3' ' C ' ' A' ' 651' ' ' LEU . 53.4 Cg_endo -69.79 163.8 36.94 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.663 2.242 . . . . 0.0 112.346 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -114.28 82.11 1.65 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.872 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 655' ' ' TYR . . . . . 0.499 ' HE2' HG23 ' A' ' 614' ' ' VAL . 31.4 m-85 -52.51 -56.53 14.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.92 -179.838 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 56.8 m-20 60.0 45.05 12.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.9 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 657' ' ' PHE . . . . . 0.564 ' CZ ' ' HB2' ' A' ' 659' ' ' SER . 51.9 t80 -104.13 124.14 48.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 658' ' ' THR . . . . . 0.691 HG23 ' HB2' ' A' ' 610' ' ' HIS . 0.7 OUTLIER -125.94 100.16 6.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.136 -179.95 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 659' ' ' SER . . . . . 0.564 ' HB2' ' CZ ' ' A' ' 657' ' ' PHE . 7.4 t -93.68 165.6 12.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.856 -179.844 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 660' ' ' GLN . . . . . 0.455 ' HB3' HD11 ' A' ' 606' ' ' LEU . 10.4 mt-30 -131.56 130.33 42.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.933 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 661' ' ' TYR . . . . . 0.601 ' O ' HD12 ' A' ' 606' ' ' LEU . 68.1 m-85 -125.77 119.66 28.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.948 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 662' ' ' LEU . . . . . 0.795 HD11 ' CG ' ' A' ' 604' ' ' GLU . 1.0 OUTLIER -79.15 109.82 13.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.957 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 663' ' ' VAL . . . . . 0.632 HG11 ' CE2' ' A' ' 637' ' ' PHE . 33.2 m -130.94 114.57 27.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.092 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 664' ' ' HIS . . . . . 0.742 ' O ' HG13 ' A' ' 665' ' ' VAL . 15.9 p-80 -94.23 102.55 14.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.871 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 665' ' ' VAL . . . . . 0.742 HG13 ' O ' ' A' ' 664' ' ' HIS . 4.5 m -165.51 165.53 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.113 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 666' ' ' ASN . . . . . . . . . . . . . 51.9 t30 -134.32 -63.01 0.73 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.896 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 667' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -81.2 -47.15 13.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.835 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 11.0 mp -57.99 -16.87 14.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 669' ' ' PHE . . . . . 0.441 ' HE1' HD11 ' A' ' 703' ' ' ILE . 19.3 t80 -77.9 -41.53 36.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 670' ' ' LEU . . . . . 0.42 HD22 HD23 ' A' ' 704' ' ' LEU . 15.0 mt -72.49 -59.82 2.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.975 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 671' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -54.17 -18.33 3.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.934 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 672' ' ' TYR . . . . . 0.457 ' CD1' ' C ' ' A' ' 672' ' ' TYR . 1.1 t80 -80.44 -35.18 35.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.962 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 673' ' ' ILE . . . . . 0.901 HD13 HG21 ' A' ' 703' ' ' ILE . 98.3 mt -78.52 -24.24 13.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.165 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 674' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -87.65 -61.93 1.61 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.906 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 675' ' ' LYS . . . . . . . . . . . . . 54.3 mttm -58.03 -62.41 1.84 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.847 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 676' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -103.85 166.8 10.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.858 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 677' ' ' THR . . . . . 0.605 HG21 ' NZ ' ' A' ' 699' ' ' LYS . 35.0 p -139.54 176.52 8.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.088 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 678' ' ' ILE . . . . . 0.412 HG22 ' N ' ' A' ' 679' ' ' THR . 12.8 mt -88.98 152.71 3.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.159 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 679' ' ' THR . . . . . 0.536 HG22 ' CD ' ' A' ' 681' ' ' GLU . 23.8 m -119.07 104.26 10.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.148 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 680' ' ' LEU . . . . . 0.634 HD23 ' O ' ' A' ' 680' ' ' LEU . 7.6 tt -120.69 104.36 9.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.947 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 681' ' ' GLU . . . . . 0.558 ' HB2' ' CE1' ' A' ' 683' ' ' HIS . 4.0 mp0 -107.19 143.35 35.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 682' ' ' VAL . . . . . . . . . . . . . 91.4 t -101.14 104.54 16.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.126 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 683' ' ' HIS . . . . . 0.558 ' CE1' ' HB2' ' A' ' 681' ' ' GLU . 10.8 m-70 -99.43 135.87 40.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.832 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 684' ' ' GLN . . . . . 0.519 ' HG2' HG22 ' A' ' 631' ' ' THR . 31.5 mt-30 -86.5 121.87 29.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.919 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -88.78 102.54 15.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.132 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 686' ' ' TYR . . . . . 0.553 ' CD2' ' O ' ' A' ' 689' ' ' GLU . 2.9 m-85 -79.4 168.92 18.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 -179.814 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 687' ' ' SER . . . . . . . . . . . . . 62.7 m -72.75 3.64 4.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.836 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 688' ' ' THR . . . . . . . . . . . . . 35.3 p -133.67 -63.58 0.74 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.158 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 689' ' ' GLU . . . . . 0.553 ' O ' ' CD2' ' A' ' 686' ' ' TYR . 6.2 tt0 -130.7 179.26 6.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 690' ' ' TYR . . . . . 0.477 ' CD1' ' N ' ' A' ' 690' ' ' TYR . 0.1 OUTLIER -139.96 136.36 33.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.926 -179.841 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 691' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -139.45 152.97 47.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.878 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 692' ' ' THR . . . . . . . . . . . . . 8.6 m -67.03 138.95 57.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.161 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 693' ' ' ILE . . . . . . . . . . . . . 5.9 pt -128.08 -27.58 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.104 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -145.42 150.04 35.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.155 179.813 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 695' ' ' ALA . . . . . . . . . . . . . . . -152.29 138.47 18.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.12 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 696' ' ' CYS . . . . . 0.525 ' HB3' HD23 ' A' ' 716' ' ' LEU . 11.5 p -149.96 164.46 35.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.887 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 697' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -115.24 111.7 21.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.95 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 698' ' ' LEU . . . . . 0.589 HD11 ' HB2' ' A' ' 680' ' ' LEU . 1.8 mt -74.45 136.35 42.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.902 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 699' ' ' LYS . . . . . 0.605 ' NZ ' HG21 ' A' ' 677' ' ' THR . 0.4 OUTLIER -153.7 130.96 11.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 179.832 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 700' ' ' PHE . . . . . 0.604 ' CD2' ' CE1' ' A' ' 733' ' ' PHE . 0.7 OUTLIER -109.88 124.97 52.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.843 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 701' ' ' HIS . . . . . . . . . . . . . 55.1 m-70 -89.42 -43.19 11.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.867 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 702' ' ' GLU . . . . . 0.78 ' HB2' HG21 ' A' ' 710' ' ' ILE . 5.6 mm-40 -50.55 -42.79 55.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 703' ' ' ILE . . . . . 0.901 HG21 HD13 ' A' ' 673' ' ' ILE . 8.9 tt -49.54 -17.34 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.104 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 704' ' ' LEU . . . . . 0.42 HD23 HD22 ' A' ' 670' ' ' LEU . 30.2 mt -75.58 -35.34 60.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.927 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 705' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -111.98 -51.07 2.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 706' ' ' LYS . . . . . . . . . . . . . 25.2 mttt -88.23 177.42 6.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.876 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 707' ' ' SER . . . . . . . . . . . . . 2.2 t -161.33 132.04 5.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.805 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 708' ' ' GLY . . . . . . . . . . . . . . . 107.35 -127.69 8.9 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.468 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 709' ' ' ARG . . . . . 0.423 ' C ' HG13 ' A' ' 710' ' ' ILE . 30.4 ttm180 -62.24 97.83 0.1 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.743 0.306 . . . . 0.0 110.893 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 710' ' ' ILE . . . . . 0.78 HG21 ' HB2' ' A' ' 702' ' ' GLU . 17.8 mt -140.48 115.3 6.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.159 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 711' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -93.65 140.41 29.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.843 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 712' ' ' CYS . . . . . . . . . . . . . 2.7 t -152.48 173.63 14.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.939 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 713' ' ' THR . . . . . . . . . . . . . 21.8 p -141.6 167.91 21.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.151 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 714' ' ' ALA . . . . . . . . . . . . . . . -150.24 140.86 22.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.137 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 715' ' ' SER . . . . . . . . . . . . . 48.0 m -80.74 162.29 24.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.891 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 716' ' ' LEU . . . . . 0.525 HD23 ' HB3' ' A' ' 696' ' ' CYS . 7.6 mt -131.44 133.96 45.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.965 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 717' ' ' ILE . . . . . 0.451 ' N ' HD12 ' A' ' 717' ' ' ILE . 4.3 mp -111.31 145.02 18.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.089 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 718' ' ' GLY . . . . . . . . . . . . . . . -79.01 127.96 8.3 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.525 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 719' ' ' THR . . . . . . . . . . . . . 17.4 p -49.68 -75.3 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.879 0.371 . . . . 0.0 111.164 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 720' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -103.03 30.85 4.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.89 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 721' ' ' GLY . . . . . . . . . . . . . . . -121.19 -19.34 3.58 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.507 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 722' ' ' ASP . . . . . . . . . . . . . 43.8 m-20 53.79 36.49 24.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.827 0.346 . . . . 0.0 110.868 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 723' ' ' ILE . . . . . . . . . . . . . 67.6 mt -104.43 106.34 53.72 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.631 0.729 . . . . 0.0 111.123 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 724' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -37.43 9.24 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.717 2.278 . . . . 0.0 112.339 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 725' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 -84.8 30.11 0.59 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 726' ' ' PHE . . . . . . . . . . . . . 8.9 t80 -52.57 -47.01 67.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 727' ' ' GLY . . . . . . . . . . . . . . . 159.65 157.99 8.9 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.504 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 728' ' ' THR . . . . . . . . . . . . . 2.5 m -107.25 142.98 36.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.822 0.344 . . . . 0.0 111.173 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 729' ' ' VAL . . . . . . . . . . . . . 13.0 p -103.72 138.47 28.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.122 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -110.46 102.81 11.4 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.861 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 731' ' ' TYR . . . . . . . . . . . . . 18.0 p90 -117.92 162.06 18.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 732' ' ' TRP . . . . . 0.568 ' CH2' ' HB3' ' A' ' 734' ' ' ARG . 80.0 t90 -139.65 124.59 18.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.907 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 733' ' ' PHE . . . . . 0.604 ' CE1' ' CD2' ' A' ' 700' ' ' PHE . 23.4 p90 -119.3 159.19 24.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 734' ' ' ARG . . . . . 0.568 ' HB3' ' CH2' ' A' ' 732' ' ' TRP . 8.6 ptt180 -148.04 122.18 9.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 735' ' ' LEU . . . . . . . . . . . . . 58.2 tp -108.49 104.63 14.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 736' ' ' ARG . . . . . 0.757 ' HE ' HG12 ' A' ' 737' ' ' VAL . 0.0 OUTLIER -138.26 115.02 10.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.909 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 737' ' ' VAL . . . . . 0.812 HG11 ' HB2' ' A' ' 601' ' ' GLU . 5.8 p -37.36 147.47 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.112 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 738' ' ' SER . . . . . . . . . . . . . 7.0 t -116.14 123.62 48.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.878 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 739' ' ' GLY . . . . . . . . . . . . . . . -66.22 125.68 27.3 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.542 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 740' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -47.69 0.88 Allowed 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.699 2.266 . . . . 0.0 112.326 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 5.1 t -95.53 -48.87 5.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.859 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 21.9 t -50.2 -59.03 4.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.864 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 743' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.483 179.996 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 588' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 N-CA-C 112.494 -0.243 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 90.7 p 40.39 43.38 1.47 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.862 0.363 . . . . 0.0 110.823 -179.725 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 590' ' ' SER . . . . . . . . . . . . . 50.6 p -41.85 -42.03 2.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.827 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 591' ' ' GLY . . . . . . . . . . . . . . . 141.01 161.89 8.88 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.495 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 27.5 p -151.92 132.0 13.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.88 0.371 . . . . 0.0 110.863 -179.739 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 40.9 m -93.38 134.54 35.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.877 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 594' ' ' GLY . . . . . . . . . . . . . . . 120.53 -94.07 0.55 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.502 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 595' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -98.99 117.41 33.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.786 0.327 . . . . 0.0 110.878 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 596' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -167.66 137.52 2.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 597' ' ' THR . . . . . . . . . . . . . 8.1 t -145.64 155.1 42.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.154 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 598' ' ' ILE . . . . . . . . . . . . . 50.0 mm -95.55 -46.78 13.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.117 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 599' ' ' HIS . . . . . 0.443 ' CD2' ' H ' ' A' ' 599' ' ' HIS . 7.4 p80 -69.68 107.34 3.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.857 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 600' ' ' LEU . . . . . . . . . . . . . 54.9 mt -144.66 110.75 5.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.935 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 601' ' ' GLU . . . . . 0.403 ' HB2' HG21 ' A' ' 737' ' ' VAL . 16.8 pt-20 -94.72 171.84 8.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 602' ' ' ARG . . . . . . . . . . . . . 5.7 ptp180 -133.32 -59.59 0.87 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.857 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 603' ' ' GLY . . . . . . . . . . . . . . . 178.01 -84.58 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.461 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 604' ' ' GLU . . . . . 0.428 ' CG ' HD11 ' A' ' 662' ' ' LEU . 0.0 OUTLIER -39.13 156.79 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.873 0.368 . . . . 0.0 110.896 -179.876 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 605' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 -114.19 170.47 8.26 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 606' ' ' LEU . . . . . . . . . . . . . 19.5 tp -142.61 138.63 30.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.936 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 607' ' ' PHE . . . . . 0.577 ' CZ ' ' HB2' ' A' ' 733' ' ' PHE . 27.0 t80 -122.55 108.13 12.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.894 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 608' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -96.74 139.05 33.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.888 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 609' ' ' ILE . . . . . 0.838 HD11 ' CD1' ' A' ' 637' ' ' PHE . 30.1 mt -134.87 107.96 9.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.132 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 610' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -113.45 139.09 49.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.852 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 41.4 mm -102.14 125.54 56.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.088 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 612' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -78.1 -67.32 0.74 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.855 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 613' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.9 179.21 3.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.884 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 614' ' ' VAL . . . . . . . . . . . . . 98.7 t -130.88 116.16 33.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.172 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 615' ' ' THR . . . . . . . . . . . . . 44.8 m -87.8 138.05 31.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.112 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 616' ' ' PHE . . . . . 0.5 ' HB3' ' CG2' ' A' ' 620' ' ' VAL . 40.8 m-85 -113.98 167.25 10.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.922 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 617' ' ' SER . . . . . 0.464 ' O ' HG22 ' A' ' 620' ' ' VAL . 16.5 p -108.5 154.54 21.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.824 -179.763 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 618' ' ' SER . . . . . . . . . . . . . 81.2 p -41.9 -37.56 1.33 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.877 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 619' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -43.12 -67.65 0.26 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.887 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 620' ' ' VAL . . . . . 0.5 ' CG2' ' HB3' ' A' ' 616' ' ' PHE . 32.8 m -61.55 -29.81 46.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.107 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 621' ' ' LEU . . . . . 0.611 HD22 HD13 ' A' ' 651' ' ' LEU . 20.4 mt -62.16 -68.24 0.34 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 622' ' ' GLN . . . . . . . . . . . . . 3.5 mp0 -53.11 -44.61 67.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.933 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -52.65 -41.41 63.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.117 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 39.3 m -67.14 -69.16 0.33 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.825 -179.766 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 625' ' ' GLY . . . . . . . . . . . . . . . 125.58 -146.73 16.33 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.494 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 626' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -85.76 32.95 0.58 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.862 0.363 . . . . 0.0 110.869 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 39.7 mttp -146.92 121.08 9.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -74.37 118.68 71.79 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.661 0.743 . . . . 0.0 110.933 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 629' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 117.28 4.99 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.722 2.282 . . . . 0.0 112.342 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 630' ' ' VAL . . . . . . . . . . . . . 33.7 t -76.31 123.89 33.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.142 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 631' ' ' THR . . . . . 0.56 HG22 ' HG3' ' A' ' 684' ' ' GLN . 11.1 p -132.27 159.28 39.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.145 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 632' ' ' PHE . . . . . 0.649 ' CE1' ' NE2' ' A' ' 683' ' ' HIS . 39.5 p90 -144.31 136.96 26.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.851 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 633' ' ' CYS . . . . . 0.537 ' SG ' HG21 ' A' ' 645' ' ' THR . 0.8 OUTLIER -97.7 162.62 13.19 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.868 -179.956 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 634' ' ' THR . . . . . . . . . . . . . 32.5 p -154.39 136.86 15.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.11 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 635' ' ' TYR . . . . . 0.622 ' CD1' HD12 ' A' ' 680' ' ' LEU . 36.0 p90 -173.89 176.65 2.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.921 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 636' ' ' ALA . . . . . . . . . . . . . . . -151.65 161.8 42.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.109 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 637' ' ' PHE . . . . . 0.838 ' CD1' HD11 ' A' ' 609' ' ' ILE . 20.9 t80 -110.04 151.92 26.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.841 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 638' ' ' TYR . . . . . . . . . . . . . 4.0 t80 47.02 30.57 1.31 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.958 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 639' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 56.88 40.83 28.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.855 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 640' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -91.14 179.13 5.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -43.27 130.45 4.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.898 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 642' ' ' LEU . . . . . 0.448 HD13 ' C ' ' A' ' 642' ' ' LEU . 1.3 tm? -72.77 111.64 8.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.882 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 643' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -98.96 133.49 43.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 644' ' ' THR . . . . . . . . . . . . . 98.2 m -93.16 128.19 39.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.134 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 645' ' ' THR . . . . . 0.537 HG21 ' SG ' ' A' ' 633' ' ' CYS . 16.6 p -69.54 151.88 96.5 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.622 0.725 . . . . 0.0 111.1 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 646' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 124.12 10.75 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.686 2.257 . . . . 0.0 112.316 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 647' ' ' VAL . . . . . . . . . . . . . 18.8 t -68.8 140.4 18.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.163 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 58.8 t -140.69 138.73 35.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.139 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 649' ' ' ARG . . . . . . . . . . . . . 76.9 mtm-85 -84.89 121.12 27.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.831 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 650' ' ' GLY . . . . . . . . . . . . . . . 142.94 170.26 12.79 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.474 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 651' ' ' LEU . . . . . 0.611 HD13 HD22 ' A' ' 621' ' ' LEU . 16.6 mt -88.91 -44.7 10.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.835 0.35 . . . . 0.0 110.905 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 652' ' ' HIS . . . . . . . . . . . . . 10.9 m-70 -113.26 67.56 1.17 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.54 0.686 . . . . 0.0 110.862 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 653' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 177.53 5.49 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.689 2.259 . . . . 0.0 112.338 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 654' ' ' GLU . . . . . 0.453 ' O ' ' C ' ' A' ' 655' ' ' TYR . 20.4 mt-10 -131.61 64.75 1.58 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.888 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 655' ' ' TYR . . . . . 0.453 ' C ' ' O ' ' A' ' 654' ' ' GLU . 89.8 m-85 -34.22 -62.15 0.34 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.966 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 3.8 m120 58.07 40.37 25.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.901 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 657' ' ' PHE . . . . . . . . . . . . . 36.5 t80 -88.58 141.7 28.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 26.9 m -119.18 126.4 51.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.128 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 1.1 t -119.1 128.6 54.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.846 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -120.58 113.6 20.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.859 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 661' ' ' TYR . . . . . . . . . . . . . 47.8 m-85 -124.53 112.15 16.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.95 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 662' ' ' LEU . . . . . 0.428 HD11 ' CG ' ' A' ' 604' ' ' GLU . 0.4 OUTLIER -72.78 111.4 7.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 663' ' ' VAL . . . . . . . . . . . . . 7.2 m -123.61 133.21 69.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.12 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 664' ' ' HIS . . . . . . . . . . . . . 16.3 p80 -107.43 97.47 7.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 665' ' ' VAL . . . . . 0.553 HG13 ' HD2' ' A' ' 669' ' ' PHE . 6.8 p -175.38 154.28 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.099 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 666' ' ' ASN . . . . . 0.444 ' N ' HG22 ' A' ' 665' ' ' VAL . 34.1 m-80 -130.54 -71.14 0.59 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.86 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 667' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -64.38 -53.64 45.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.841 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 668' ' ' LEU . . . . . 0.421 ' HB2' ' CG2' ' A' ' 665' ' ' VAL . 11.1 mp -60.88 -15.13 27.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.898 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 669' ' ' PHE . . . . . 0.553 ' HD2' HG13 ' A' ' 665' ' ' VAL . 6.2 t80 -68.84 -31.42 70.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.871 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 670' ' ' LEU . . . . . 0.423 ' O ' ' N ' ' A' ' 672' ' ' TYR . 48.5 mt -80.6 -63.38 1.42 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.876 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 671' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -40.25 -27.59 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.93 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 672' ' ' TYR . . . . . 0.423 ' N ' ' O ' ' A' ' 670' ' ' LEU . 28.0 t80 -71.88 -56.86 4.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 -179.856 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 673' ' ' ILE . . . . . 0.679 ' CD1' HD13 ' A' ' 703' ' ' ILE . 61.7 mt -59.57 -35.54 59.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.113 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 674' ' ' GLN . . . . . 0.468 ' HG3' ' CD2' ' A' ' 704' ' ' LEU . 19.5 mt-30 -71.3 -62.42 1.41 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 675' ' ' LYS . . . . . . . . . . . . . 50.8 mttp -57.87 -64.47 0.9 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 676' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -105.79 163.12 12.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.883 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 30.2 p -140.55 173.61 11.32 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.104 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 678' ' ' ILE . . . . . 0.497 ' O ' ' N ' ' A' ' 698' ' ' LEU . 4.8 mp -88.43 143.22 11.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.086 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 35.4 m -116.74 106.94 14.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.139 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 680' ' ' LEU . . . . . 0.778 HD23 ' O ' ' A' ' 680' ' ' LEU . 4.1 tt -118.15 106.44 12.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.941 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 681' ' ' GLU . . . . . 0.47 ' OE1' ' N ' ' A' ' 681' ' ' GLU . 3.4 mp0 -98.69 139.85 33.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.849 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 682' ' ' VAL . . . . . . . . . . . . . 93.3 t -97.57 98.15 7.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.119 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 683' ' ' HIS . . . . . 0.649 ' NE2' ' CE1' ' A' ' 632' ' ' PHE . 1.4 p-80 -97.44 129.79 44.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.808 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 684' ' ' GLN . . . . . 0.56 ' HG3' HG22 ' A' ' 631' ' ' THR . 42.8 tt0 -88.65 141.51 28.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.891 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -113.84 131.43 56.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.115 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 686' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -96.41 168.95 10.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.94 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 687' ' ' SER . . . . . . . . . . . . . 12.9 t -62.53 -6.81 3.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.851 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 688' ' ' THR . . . . . . . . . . . . . 35.2 p -119.49 -73.03 0.66 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.119 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 689' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -116.77 -176.02 2.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.848 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 690' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -145.66 141.39 28.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.912 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 691' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -149.71 155.61 40.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.911 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 692' ' ' THR . . . . . . . . . . . . . 51.8 m -72.12 134.71 45.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.147 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 693' ' ' ILE . . . . . . . . . . . . . 7.6 pt -124.37 -23.71 2.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.144 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -139.5 147.75 41.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.083 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 695' ' ' ALA . . . . . . . . . . . . . . . -145.87 124.2 12.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.135 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 696' ' ' CYS . . . . . . . . . . . . . 20.2 p -136.95 149.85 47.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.862 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 697' ' ' GLN . . . . . . . . . . . . . 4.4 mp0 -102.53 117.69 35.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.942 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 698' ' ' LEU . . . . . 0.665 HD11 HD13 ' A' ' 680' ' ' LEU . 54.0 mt -77.77 127.24 32.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 699' ' ' LYS . . . . . . . . . . . . . 8.5 ptpt -155.37 137.31 14.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.898 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 700' ' ' PHE . . . . . 0.646 ' CD2' ' CD1' ' A' ' 733' ' ' PHE . 4.6 m-85 -112.67 125.01 53.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.853 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 701' ' ' HIS . . . . . . . . . . . . . 34.5 m-70 -89.15 -48.84 7.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.86 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 702' ' ' GLU . . . . . 0.409 ' CB ' HG21 ' A' ' 710' ' ' ILE . 17.7 mt-10 -50.15 -40.54 46.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 703' ' ' ILE . . . . . 0.679 HD13 ' CD1' ' A' ' 673' ' ' ILE . 13.5 tt -47.68 -19.1 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.131 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 704' ' ' LEU . . . . . 0.468 ' CD2' ' HG3' ' A' ' 674' ' ' GLN . 19.7 mt -79.55 -37.78 35.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.94 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 705' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -89.28 -46.75 8.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.865 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 706' ' ' LYS . . . . . 0.436 ' NZ ' HG12 ' A' ' 710' ' ' ILE . 1.7 ptmm? -121.39 169.2 10.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 707' ' ' SER . . . . . . . . . . . . . 50.9 m -144.86 127.86 16.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.866 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 708' ' ' GLY . . . . . 0.407 ' O ' ' N ' ' A' ' 710' ' ' ILE . . . 130.27 -135.29 8.24 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.499 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 709' ' ' ARG . . . . . . . . . . . . . 13.6 ptt180 -64.83 75.27 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.809 0.337 . . . . 0.0 110.848 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 710' ' ' ILE . . . . . 0.436 HG12 ' NZ ' ' A' ' 706' ' ' LYS . 26.1 mt -112.99 132.37 61.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.124 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 711' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -98.64 149.83 22.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 712' ' ' CYS . . . . . . . . . . . . . 17.9 m -161.89 174.97 12.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.862 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 713' ' ' THR . . . . . . . . . . . . . 24.6 p -148.7 167.58 25.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.126 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 714' ' ' ALA . . . . . . . . . . . . . . . -141.78 145.1 34.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.089 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 715' ' ' SER . . . . . . . . . . . . . 78.1 p -92.94 141.6 28.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 716' ' ' LEU . . . . . 0.527 ' C ' HD12 ' A' ' 717' ' ' ILE . 20.4 mt -106.28 149.35 26.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.904 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 717' ' ' ILE . . . . . 0.527 HD12 ' C ' ' A' ' 716' ' ' LEU . 4.8 mp -137.49 144.99 30.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.121 179.83 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 718' ' ' GLY . . . . . . . . . . . . . . . -85.07 149.75 24.31 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.493 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 719' ' ' THR . . . . . . . . . . . . . 43.7 p -91.19 -41.99 10.69 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.809 0.337 . . . . 0.0 111.123 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 720' ' ' LYS . . . . . 0.457 ' HE3' ' N ' ' A' ' 721' ' ' GLY . 0.0 OUTLIER -107.54 23.68 14.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.922 179.884 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 721' ' ' GLY . . . . . 0.457 ' N ' ' HE3' ' A' ' 720' ' ' LYS . . . -141.96 -34.1 0.11 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.471 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 722' ' ' ASP . . . . . . . . . . . . . 12.0 t70 67.33 34.99 4.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.82 0.343 . . . . 0.0 110.89 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 723' ' ' ILE . . . . . . . . . . . . . 72.7 mt -94.45 106.55 24.22 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.64 0.733 . . . . 0.0 111.148 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 724' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -27.12 26.93 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.7 2.267 . . . . 0.0 112.334 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 725' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -94.4 34.74 1.26 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.858 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 726' ' ' PHE . . . . . 0.481 ' CE1' HG11 ' A' ' 620' ' ' VAL . 4.1 t80 -61.23 -43.7 98.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 727' ' ' GLY . . . . . . . . . . . . . . . 158.81 154.24 7.12 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.479 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 728' ' ' THR . . . . . . . . . . . . . 15.0 m -105.53 148.49 27.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.84 0.353 . . . . 0.0 111.134 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 729' ' ' VAL . . . . . . . . . . . . . 7.6 p -109.72 138.6 36.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.099 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -109.33 136.29 49.01 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.891 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 731' ' ' TYR . . . . . . . . . . . . . 19.8 p90 -159.33 176.47 12.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.876 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 732' ' ' TRP . . . . . . . . . . . . . 60.0 p-90 -155.4 121.0 4.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.924 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 733' ' ' PHE . . . . . 0.646 ' CD1' ' CD2' ' A' ' 700' ' ' PHE . 30.8 p90 -105.98 147.77 28.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.868 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 734' ' ' ARG . . . . . . . . . . . . . 5.5 ptm180 -135.11 121.8 20.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.92 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 735' ' ' LEU . . . . . . . . . . . . . 42.1 tp -114.61 105.34 12.96 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.935 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 736' ' ' ARG . . . . . . . . . . . . . 2.7 tpm_? -154.75 151.17 28.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 737' ' ' VAL . . . . . 0.403 HG21 ' HB2' ' A' ' 601' ' ' GLU . 13.5 p -44.68 146.87 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.142 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 738' ' ' SER . . . . . . . . . . . . . 11.7 t -83.7 141.59 31.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.858 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 739' ' ' GLY . . . . . . . . . . . . . . . -136.24 -179.73 16.98 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.528 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 740' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 107.1 1.78 Allowed 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.756 2.304 . . . . 0.0 112.354 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 8.9 t -60.64 -59.24 5.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.916 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 94.2 p -50.42 -47.48 56.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.863 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 743' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.469 179.972 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 588' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 2.8 p -75.83 -34.12 60.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.838 0.351 . . . . 0.0 110.871 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 590' ' ' SER . . . . . . . . . . . . . 1.7 t 50.64 46.91 25.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.882 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 591' ' ' GLY . . . . . . . . . . . . . . . -165.58 133.62 3.02 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.504 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 2.1 m -61.55 148.75 41.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.906 0.384 . . . . 0.0 110.808 -179.71 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 21.6 m -118.56 165.09 14.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.874 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 594' ' ' GLY . . . . . . . . . . . . . . . -113.72 176.15 16.98 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.517 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 595' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -131.25 140.36 49.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.775 0.322 . . . . 0.0 110.875 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 596' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -133.13 122.12 23.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.93 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 597' ' ' THR . . . . . . . . . . . . . 39.0 p -110.08 113.18 25.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.155 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 598' ' ' ILE . . . . . . . . . . . . . 33.4 mt -96.19 -49.81 11.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.099 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 599' ' ' HIS . . . . . . . . . . . . . 42.3 m-70 -118.03 132.95 56.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.871 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 600' ' ' LEU . . . . . 0.508 ' CD1' ' NH2' ' A' ' 602' ' ' ARG . 4.4 mm? -69.99 116.56 10.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 601' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -101.55 -11.93 18.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.892 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 602' ' ' ARG . . . . . 0.508 ' NH2' ' CD1' ' A' ' 600' ' ' LEU . 0.1 OUTLIER -57.57 92.87 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.861 -179.885 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 603' ' ' GLY . . . . . . . . . . . . . . . 171.43 -90.22 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.482 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 604' ' ' GLU . . . . . 0.641 ' HB3' HD11 ' A' ' 662' ' ' LEU . 35.6 mp0 -135.39 144.09 46.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.861 0.362 . . . . 0.0 110.918 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 605' ' ' ASN . . . . . . . . . . . . . 11.9 m-20 -122.48 144.39 49.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.887 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 606' ' ' LEU . . . . . 0.478 HD23 ' N ' ' A' ' 607' ' ' PHE . 3.4 tt -130.08 130.1 44.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 607' ' ' PHE . . . . . 0.484 ' CD2' HD13 ' A' ' 735' ' ' LEU . 0.6 OUTLIER -111.85 122.46 47.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 179.921 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 608' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -113.8 128.88 56.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.857 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 609' ' ' ILE . . . . . . . . . . . . . 56.4 mt -125.88 106.96 16.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.185 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 610' ' ' HIS . . . . . 0.413 ' HB3' ' CE2' ' A' ' 732' ' ' TRP . 6.9 t-80 -115.11 134.43 55.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 22.3 mm -100.76 125.0 54.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.115 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 612' ' ' ASN . . . . . . . . . . . . . 14.3 m-20 -78.38 -66.54 0.84 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 613' ' ' LYS . . . . . . . . . . . . . 12.9 pttp -169.54 176.85 4.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 614' ' ' VAL . . . . . . . . . . . . . 41.7 t -122.6 119.23 57.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.139 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 615' ' ' THR . . . . . . . . . . . . . 27.7 m -90.65 145.44 24.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.137 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 616' ' ' PHE . . . . . 0.472 ' HB3' ' CG2' ' A' ' 620' ' ' VAL . 25.3 m-85 -121.83 166.82 13.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.869 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 1.5 t -108.51 152.46 24.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.867 -179.76 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 618' ' ' SER . . . . . 0.443 ' HA ' HD12 ' A' ' 621' ' ' LEU . 92.6 p -42.07 -27.25 0.12 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.862 -179.853 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 619' ' ' GLU . . . . . . . . . . . . . 63.7 mm-40 -50.39 -69.74 0.1 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 620' ' ' VAL . . . . . 0.472 ' CG2' ' HB3' ' A' ' 616' ' ' PHE . 16.1 m -57.58 -31.52 39.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.134 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 621' ' ' LEU . . . . . 0.561 ' CD2' ' CD2' ' A' ' 651' ' ' LEU . 19.4 mt -58.97 -52.68 64.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 622' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -65.68 -52.53 50.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.922 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -54.58 -37.28 65.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.076 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 3.3 m -65.61 -75.14 0.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.848 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 625' ' ' GLY . . . . . . . . . . . . . . . 124.24 -144.87 15.63 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.487 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 626' ' ' ASP . . . . . . . . . . . . . 40.9 m-20 -86.11 33.72 0.61 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.806 0.336 . . . . 0.0 110.846 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 16.7 ptpt -136.6 177.54 7.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -131.3 122.86 19.28 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.672 0.748 . . . . 0.0 110.917 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 629' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 120.15 6.98 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.681 2.254 . . . . 0.0 112.376 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 630' ' ' VAL . . . . . 0.55 HG22 ' HA ' ' A' ' 649' ' ' ARG . 38.9 t -90.38 110.36 21.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.161 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 631' ' ' THR . . . . . 0.596 HG22 ' HG2' ' A' ' 684' ' ' GLN . 6.1 p -130.47 173.28 11.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.211 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 632' ' ' PHE . . . . . 0.449 ' CE2' ' CE1' ' A' ' 683' ' ' HIS . 6.1 p90 -152.88 152.05 31.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.885 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 633' ' ' CYS . . . . . . . . . . . . . 80.7 m -97.7 143.28 28.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 634' ' ' THR . . . . . . . . . . . . . 13.2 p -142.07 130.59 22.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.132 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 635' ' ' TYR . . . . . 0.554 ' CD1' HD12 ' A' ' 680' ' ' LEU . 16.3 p90 -172.02 170.46 5.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.938 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 636' ' ' ALA . . . . . . . . . . . . . . . -123.69 158.42 31.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.089 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 637' ' ' PHE . . . . . . . . . . . . . 83.8 t80 -112.98 144.2 42.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.866 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 638' ' ' TYR . . . . . 0.524 ' HB3' ' CE2' ' A' ' 640' ' ' PHE . 8.1 t80 39.18 37.86 0.28 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.911 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 639' ' ' ASP . . . . . . . . . . . . . 31.7 m-20 58.87 48.92 10.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.829 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 640' ' ' PHE . . . . . 0.524 ' CE2' ' HB3' ' A' ' 638' ' ' TYR . 17.3 m-85 -110.15 -177.75 3.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.837 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -46.93 143.51 2.9 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.937 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 642' ' ' LEU . . . . . 0.405 HD13 ' N ' ' A' ' 643' ' ' GLN . 0.8 OUTLIER -73.2 114.0 10.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.941 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 643' ' ' GLN . . . . . 0.405 ' N ' HD13 ' A' ' 642' ' ' LEU . 5.7 tp-100 -91.54 120.17 32.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 644' ' ' THR . . . . . . . . . . . . . 98.7 m -99.07 120.78 40.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.13 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 645' ' ' THR . . . . . . . . . . . . . 35.8 p -74.29 153.23 88.17 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.548 0.689 . . . . 0.0 111.176 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 646' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 129.14 17.04 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.643 2.229 . . . . 0.0 112.341 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 647' ' ' VAL . . . . . . . . . . . . . 24.4 t -69.32 139.5 20.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.095 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 59.3 t -142.66 136.18 27.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.139 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 649' ' ' ARG . . . . . 0.55 ' HA ' HG22 ' A' ' 630' ' ' VAL . 29.3 mtt180 -85.13 112.16 20.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.85 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 650' ' ' GLY . . . . . . . . . . . . . . . 159.5 166.63 18.82 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.516 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 651' ' ' LEU . . . . . 0.561 ' CD2' ' CD2' ' A' ' 621' ' ' LEU . 5.0 mp -95.46 -31.82 13.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.808 0.337 . . . . 0.0 110.904 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 652' ' ' HIS . . . . . . . . . . . . . 9.4 m-70 -129.75 57.05 27.94 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.606 0.717 . . . . 0.0 110.875 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 653' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 -178.33 2.27 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.717 2.278 . . . . 0.0 112.329 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -131.69 76.43 1.71 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 655' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -43.08 -53.17 5.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.903 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 57.84 37.44 26.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.833 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 657' ' ' PHE . . . . . 0.544 ' CZ ' ' OG ' ' A' ' 659' ' ' SER . 10.2 t80 -87.01 142.96 27.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.879 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 7.3 m -128.16 110.42 12.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.166 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 659' ' ' SER . . . . . 0.544 ' OG ' ' CZ ' ' A' ' 657' ' ' PHE . 3.5 m -120.85 108.43 13.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.85 -179.835 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 660' ' ' GLN . . . . . 0.421 ' HB2' HD21 ' A' ' 606' ' ' LEU . 15.4 pt20 -145.55 146.63 31.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.971 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 661' ' ' TYR . . . . . . . . . . . . . 68.5 m-85 -154.62 150.63 27.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.939 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 662' ' ' LEU . . . . . 0.641 HD11 ' HB3' ' A' ' 604' ' ' GLU . 0.8 OUTLIER -72.44 105.6 4.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.949 179.932 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 663' ' ' VAL . . . . . . . . . . . . . 9.7 m -107.53 123.4 62.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.091 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 664' ' ' HIS . . . . . . . . . . . . . 44.7 m-70 -87.22 100.72 12.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.868 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 665' ' ' VAL . . . . . 0.689 HG22 ' H ' ' A' ' 666' ' ' ASN . 3.8 p -149.9 174.65 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.097 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 666' ' ' ASN . . . . . 0.689 ' H ' HG22 ' A' ' 665' ' ' VAL . 6.1 m120 -126.62 -174.7 3.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.888 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 667' ' ' ASP . . . . . 0.431 ' C ' ' O ' ' A' ' 666' ' ' ASN . 7.5 t70 -34.93 -33.0 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 668' ' ' LEU . . . . . 0.483 ' N ' ' O ' ' A' ' 666' ' ' ASN . 55.0 mt -40.36 -47.36 2.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 669' ' ' PHE . . . . . 0.424 ' HB2' HG11 ' A' ' 665' ' ' VAL . 24.6 t80 -44.32 -54.13 6.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 670' ' ' LEU . . . . . 0.479 HD22 ' O ' ' A' ' 703' ' ' ILE . 80.5 mt -45.14 -52.89 8.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.928 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 671' ' ' GLN . . . . . 0.416 ' O ' ' CG ' ' A' ' 674' ' ' GLN . 74.6 mt-30 -46.75 -58.43 3.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.935 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 672' ' ' TYR . . . . . 0.506 ' C ' ' CD1' ' A' ' 672' ' ' TYR . 0.2 OUTLIER -37.94 -39.43 0.38 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.91 -179.882 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 673' ' ' ILE . . . . . . . . . . . . . 5.3 mm -53.61 -51.65 40.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.141 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 674' ' ' GLN . . . . . 0.416 ' CG ' ' O ' ' A' ' 671' ' ' GLN . 4.8 pt20 -73.58 -34.67 65.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.925 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 675' ' ' LYS . . . . . . . . . . . . . 23.6 mtpp -72.46 -71.81 0.27 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.885 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 676' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -116.93 128.79 55.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 23.3 p -101.16 178.2 4.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.114 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 678' ' ' ILE . . . . . . . . . . . . . 4.5 mp -94.24 138.43 20.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.163 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 6.3 m -110.45 100.8 9.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.13 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 680' ' ' LEU . . . . . 0.554 HD12 ' CD1' ' A' ' 635' ' ' TYR . 7.1 tt -107.16 114.86 29.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.913 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 681' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -107.91 144.21 35.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.869 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 682' ' ' VAL . . . . . . . . . . . . . 83.1 t -110.64 112.35 40.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.13 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 683' ' ' HIS . . . . . 0.449 ' CE1' ' CE2' ' A' ' 632' ' ' PHE . 0.1 OUTLIER -106.15 155.5 19.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.858 179.936 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 684' ' ' GLN . . . . . 0.75 ' HG3' HD13 ' A' ' 693' ' ' ILE . 18.8 mt-30 -92.37 154.16 18.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.884 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -108.39 109.12 20.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.135 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 686' ' ' TYR . . . . . 0.458 ' HB2' ' CG ' ' A' ' 689' ' ' GLU . 10.5 m-85 -95.84 168.08 10.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.975 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 687' ' ' SER . . . . . 0.448 ' C ' ' O ' ' A' ' 686' ' ' TYR . 60.6 p -34.54 -73.58 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.832 -179.814 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 688' ' ' THR . . . . . . . . . . . . . 2.3 t -125.59 14.17 8.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.144 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 689' ' ' GLU . . . . . 0.458 ' CG ' ' HB2' ' A' ' 686' ' ' TYR . 3.3 pt-20 -128.95 167.97 16.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.931 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 690' ' ' TYR . . . . . 0.403 ' CG ' ' C ' ' A' ' 689' ' ' GLU . 0.7 OUTLIER -154.11 138.54 16.76 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.943 -179.873 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 691' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -149.42 150.28 32.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.886 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 692' ' ' THR . . . . . . . . . . . . . 5.7 m -73.73 133.9 43.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.11 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 693' ' ' ILE . . . . . 0.75 HD13 ' HG3' ' A' ' 684' ' ' GLN . 10.9 pt -117.75 -28.74 2.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.179 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 694' ' ' ALA . . . . . 0.464 ' N ' HG13 ' A' ' 693' ' ' ILE . . . -142.48 152.64 42.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.09 179.8 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 695' ' ' ALA . . . . . . . . . . . . . . . -150.42 133.52 16.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.121 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 696' ' ' CYS . . . . . . . . . . . . . 20.0 p -153.35 178.63 9.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 697' ' ' GLN . . . . . 0.528 ' N ' ' CD ' ' A' ' 697' ' ' GLN . 0.0 OUTLIER -130.19 140.52 50.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.935 -179.924 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 698' ' ' LEU . . . . . 0.554 HD22 ' CE2' ' A' ' 731' ' ' TYR . 32.4 mt -94.87 104.63 16.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 699' ' ' LYS . . . . . . . . . . . . . 7.9 ptpt -124.3 130.05 51.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 179.79 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 700' ' ' PHE . . . . . 0.653 ' O ' HG22 ' A' ' 703' ' ' ILE . 2.4 m-85 -110.29 125.16 52.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.865 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 701' ' ' HIS . . . . . . . . . . . . . 40.1 m-70 -88.57 -51.56 5.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.886 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 702' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -52.39 -24.09 7.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.868 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 703' ' ' ILE . . . . . 0.653 HG22 ' O ' ' A' ' 700' ' ' PHE . 13.0 tt -66.14 -4.24 2.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.141 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 704' ' ' LEU . . . . . . . . . . . . . 29.3 mt -91.7 -29.16 16.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.935 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 705' ' ' GLU . . . . . 0.455 ' CG ' ' N ' ' A' ' 706' ' ' LYS . 6.6 pt-20 -107.14 -46.26 3.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.876 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 706' ' ' LYS . . . . . 0.455 ' N ' ' CG ' ' A' ' 705' ' ' GLU . 4.9 ptpp? -111.94 140.51 46.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 707' ' ' SER . . . . . . . . . . . . . 93.7 p -124.13 114.41 19.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.828 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 708' ' ' GLY . . . . . 0.445 ' O ' ' N ' ' A' ' 710' ' ' ILE . . . 132.95 -145.86 17.81 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.517 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 709' ' ' ARG . . . . . . . . . . . . . 5.7 tmm_? -44.7 93.46 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.833 0.349 . . . . 0.0 110.852 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 710' ' ' ILE . . . . . 0.445 ' N ' ' O ' ' A' ' 708' ' ' GLY . 25.5 mt -139.28 147.39 24.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.091 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 711' ' ' PHE . . . . . . . . . . . . . 80.2 m-85 -114.06 139.44 49.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 712' ' ' CYS . . . . . . . . . . . . . 13.4 t -156.4 163.4 39.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.85 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 713' ' ' THR . . . . . . . . . . . . . 34.2 p -142.03 163.52 32.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.142 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 714' ' ' ALA . . . . . . . . . . . . . . . -131.65 161.73 32.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.091 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 715' ' ' SER . . . . . . . . . . . . . 45.9 t -103.34 137.83 40.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 716' ' ' LEU . . . . . . . . . . . . . 19.1 mt -107.93 138.07 44.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.902 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 717' ' ' ILE . . . . . . . . . . . . . 4.0 mp -123.18 142.67 38.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.096 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 718' ' ' GLY . . . . . . . . . . . . . . . -88.72 150.67 21.82 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.503 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 719' ' ' THR . . . . . . . . . . . . . 79.9 p -91.22 -70.98 0.66 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.847 0.356 . . . . 0.0 111.123 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 720' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -77.3 56.12 1.3 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 721' ' ' GLY . . . . . . . . . . . . . . . 176.14 -26.69 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.467 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 722' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 59.59 53.55 4.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.747 0.308 . . . . 0.0 110.873 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 723' ' ' ILE . . . . . . . . . . . . . 79.1 mt -103.85 106.72 54.04 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.625 0.726 . . . . 0.0 111.154 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 724' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -34.27 15.06 Favored 'Trans proline' 0 N--CA 1.465 -0.178 0 C-N-CA 122.752 2.301 . . . . 0.0 112.338 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 725' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -93.85 29.86 1.97 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 726' ' ' PHE . . . . . . . . . . . . . 25.2 t80 -52.37 -46.87 66.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 727' ' ' GLY . . . . . . . . . . . . . . . 171.99 178.8 42.51 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.49 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 728' ' ' THR . . . . . . . . . . . . . 2.6 m -131.52 145.73 51.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.85 0.357 . . . . 0.0 111.14 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 729' ' ' VAL . . . . . 0.469 HG13 ' CE2' ' A' ' 731' ' ' TYR . 8.8 p -107.77 129.66 61.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.154 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -105.68 129.66 53.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 731' ' ' TYR . . . . . 0.554 ' CE2' HD22 ' A' ' 698' ' ' LEU . 0.9 OUTLIER -157.97 168.23 27.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.936 -179.866 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 732' ' ' TRP . . . . . 0.413 ' CE2' ' HB3' ' A' ' 610' ' ' HIS . 63.7 p-90 -141.49 134.9 29.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.906 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 733' ' ' PHE . . . . . 0.556 ' CD1' ' CD2' ' A' ' 700' ' ' PHE . 31.0 p90 -118.89 148.32 43.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.866 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 734' ' ' ARG . . . . . . . . . . . . . 18.9 ttm180 -147.05 113.14 5.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.872 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 735' ' ' LEU . . . . . 0.484 HD13 ' CD2' ' A' ' 607' ' ' PHE . 25.5 tp -115.35 106.77 14.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 736' ' ' ARG . . . . . . . . . . . . . 33.3 mmm-85 -148.2 161.36 41.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 737' ' ' VAL . . . . . . . . . . . . . 9.0 p -60.84 132.5 26.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.099 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 738' ' ' SER . . . . . . . . . . . . . 11.2 t -125.08 141.84 51.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.884 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 739' ' ' GLY . . . . . . . . . . . . . . . -51.48 142.56 19.28 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.481 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 740' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 96.23 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.686 2.257 . . . . 0.0 112.361 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 30.3 p -124.04 -28.35 3.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.846 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 50.8 m -100.69 135.47 42.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.876 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 743' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.52 179.984 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 588' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 6.1 m -49.5 -61.64 1.99 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.846 0.355 . . . . 0.0 110.855 -179.724 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 590' ' ' SER . . . . . . . . . . . . . 7.3 t -73.69 108.78 6.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 591' ' ' GLY . . . . . . . . . . . . . . . -103.64 151.01 17.7 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.509 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 78.4 p -143.58 174.2 10.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.864 0.364 . . . . 0.0 110.875 -179.732 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 53.3 m -117.61 -61.46 1.69 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.845 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 594' ' ' GLY . . . . . . . . . . . . . . . 140.12 -113.76 0.92 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.433 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 595' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -159.51 164.08 34.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.773 0.321 . . . . 0.0 110.89 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 596' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -152.04 128.83 10.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.879 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 597' ' ' THR . . . . . . . . . . . . . 11.9 t -143.96 151.35 39.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.152 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 598' ' ' ILE . . . . . 0.456 ' O ' ' CG ' ' A' ' 599' ' ' HIS . 18.8 mm -99.73 -60.78 2.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.132 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 599' ' ' HIS . . . . . 0.456 ' CG ' ' O ' ' A' ' 598' ' ' ILE . 36.7 m80 -162.29 128.43 3.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.818 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 600' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -76.33 133.04 40.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.901 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 601' ' ' GLU . . . . . 0.542 ' HG3' ' N ' ' A' ' 602' ' ' ARG . 0.3 OUTLIER -108.8 150.31 27.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.932 179.893 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 602' ' ' ARG . . . . . 0.542 ' N ' ' HG3' ' A' ' 601' ' ' GLU . 1.9 mmp_? -90.99 145.46 24.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.866 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 603' ' ' GLY . . . . . . . . . . . . . . . 174.14 -134.17 2.76 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.462 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 604' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -66.54 171.25 5.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.895 0.379 . . . . 0.0 110.86 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 605' ' ' ASN . . . . . . . . . . . . . 19.9 m-80 -128.99 131.33 47.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.904 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 606' ' ' LEU . . . . . . . . . . . . . 53.1 tp -121.54 115.91 23.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.94 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 607' ' ' PHE . . . . . 0.794 ' CD2' ' CE2' ' A' ' 637' ' ' PHE . 7.6 t80 -110.79 132.71 53.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 608' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -147.08 133.71 19.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 609' ' ' ILE . . . . . 0.461 HD11 ' CE2' ' A' ' 607' ' ' PHE . 5.4 mp -115.48 116.26 51.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.156 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 610' ' ' HIS . . . . . 0.538 ' CE1' ' HA ' ' A' ' 656' ' ' ASN . 12.4 t60 -102.13 103.26 13.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 48.8 mm -70.05 108.45 2.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.157 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 612' ' ' ASN . . . . . . . . . . . . . 36.3 t-20 -64.12 -66.33 0.56 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 613' ' ' LYS . . . . . . . . . . . . . 14.6 pttp -170.46 160.79 7.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 614' ' ' VAL . . . . . 0.436 ' O ' HG13 ' A' ' 614' ' ' VAL . 11.0 p -106.1 124.22 61.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.089 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 615' ' ' THR . . . . . . . . . . . . . 41.7 m -94.37 148.6 22.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.127 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 616' ' ' PHE . . . . . 0.51 ' HB3' ' CG2' ' A' ' 620' ' ' VAL . 61.2 m-85 -127.73 151.01 49.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.862 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 617' ' ' SER . . . . . 0.449 ' O ' ' C ' ' A' ' 618' ' ' SER . 3.5 m -100.52 150.05 23.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.837 -179.762 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 618' ' ' SER . . . . . 0.562 ' HA ' HD12 ' A' ' 621' ' ' LEU . 29.2 m -34.13 -39.65 0.08 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.833 -179.844 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 619' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -38.32 -67.27 0.21 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.917 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 620' ' ' VAL . . . . . 0.514 ' O ' ' HB3' ' A' ' 623' ' ' ALA . 23.8 m -68.47 -46.46 80.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.13 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 621' ' ' LEU . . . . . 0.562 HD12 ' HA ' ' A' ' 618' ' ' SER . 40.0 mt -43.26 -64.91 0.56 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 622' ' ' GLN . . . . . . . . . . . . . 34.7 mm-40 -51.46 -44.82 62.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 623' ' ' ALA . . . . . 0.514 ' HB3' ' O ' ' A' ' 620' ' ' VAL . . . -43.82 -46.59 7.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.129 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 13.3 t -69.02 -59.59 2.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.879 -179.763 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 625' ' ' GLY . . . . . . . . . . . . . . . 80.99 106.64 0.31 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.498 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 626' ' ' ASP . . . . . . . . . . . . . 14.6 t0 42.81 29.16 0.16 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.836 0.351 . . . . 0.0 110.858 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 22.3 mttm -143.76 142.19 30.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.911 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -112.02 116.77 49.06 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.649 0.738 . . . . 0.0 110.822 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 629' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 142.51 47.99 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.659 2.239 . . . . 0.0 112.339 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 630' ' ' VAL . . . . . . . . . . . . . 16.7 t -104.16 112.84 39.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.188 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 631' ' ' THR . . . . . 0.54 HG22 ' HA ' ' A' ' 684' ' ' GLN . 21.0 p -135.21 175.2 9.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.105 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 632' ' ' PHE . . . . . 0.712 ' CZ ' ' CD2' ' A' ' 683' ' ' HIS . 3.4 p90 -148.93 157.42 43.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 633' ' ' CYS . . . . . 0.477 ' SG ' HG22 ' A' ' 682' ' ' VAL . 89.4 m -108.56 137.22 46.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 634' ' ' THR . . . . . . . . . . . . . 41.1 p -138.69 127.42 23.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.089 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 635' ' ' TYR . . . . . 0.545 ' CD1' HD12 ' A' ' 680' ' ' LEU . 11.4 p90 -169.23 165.41 10.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 636' ' ' ALA . . . . . 0.4 ' HB2' HD12 ' A' ' 642' ' ' LEU . . . -118.24 161.96 19.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.125 179.857 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 637' ' ' PHE . . . . . 0.794 ' CE2' ' CD2' ' A' ' 607' ' ' PHE . 26.6 t80 -121.86 124.14 43.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.904 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 638' ' ' TYR . . . . . . . . . . . . . 7.1 t80 59.21 32.24 21.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.889 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 639' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 62.72 53.75 2.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 640' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -113.84 174.87 5.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -54.4 115.47 2.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.85 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 642' ' ' LEU . . . . . 0.4 HD12 ' HB2' ' A' ' 636' ' ' ALA . 2.1 tp -47.7 143.48 3.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.897 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 643' ' ' GLN . . . . . . . . . . . . . 2.7 tp60 -117.31 114.48 23.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.908 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 644' ' ' THR . . . . . . . . . . . . . 57.3 m -81.89 112.34 18.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.135 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 645' ' ' THR . . . . . . . . . . . . . 72.4 p -73.82 152.97 89.16 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.604 0.716 . . . . 0.0 111.115 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 646' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 122.68 9.35 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.665 2.243 . . . . 0.0 112.349 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 647' ' ' VAL . . . . . 0.624 HG22 ' HB3' ' A' ' 632' ' ' PHE . 74.7 t -68.25 132.46 32.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.119 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 78.7 t -131.37 130.74 63.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.094 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 649' ' ' ARG . . . . . . . . . . . . . 8.1 ptt180 -85.38 120.82 27.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.906 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 650' ' ' GLY . . . . . . . . . . . . . . . 147.87 146.12 4.29 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.457 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 651' ' ' LEU . . . . . 0.522 HD22 ' CD2' ' A' ' 621' ' ' LEU . 42.5 mt -61.04 -44.97 96.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.877 0.37 . . . . 0.0 110.914 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 652' ' ' HIS . . . . . . . . . . . . . 13.7 m80 -113.9 75.65 2.96 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.557 0.694 . . . . 0.0 110.895 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 653' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 169.97 17.72 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.631 2.221 . . . . 0.0 112.322 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 31.9 mp0 -128.94 69.63 1.4 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.934 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 655' ' ' TYR . . . . . . . . . . . . . 68.3 m-85 -42.09 -65.16 0.49 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.943 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 656' ' ' ASN . . . . . 0.538 ' HA ' ' CE1' ' A' ' 610' ' ' HIS . 24.3 m-80 50.24 41.91 24.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.856 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 657' ' ' PHE . . . . . . . . . . . . . 24.8 t80 -102.21 139.22 38.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.948 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 14.6 m -125.79 145.98 49.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.124 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 2.1 t -144.65 125.03 13.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -103.38 138.09 40.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.912 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 661' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -148.69 121.12 8.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.903 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 662' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -77.78 115.75 17.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.944 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 663' ' ' VAL . . . . . 0.473 HG23 ' O ' ' A' ' 663' ' ' VAL . 20.3 m -124.46 115.58 45.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.129 179.844 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 664' ' ' HIS . . . . . 0.514 ' CG ' ' O ' ' A' ' 664' ' ' HIS . 47.7 p-80 -84.43 97.84 9.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 665' ' ' VAL . . . . . 0.491 ' CG2' ' HB2' ' A' ' 668' ' ' LEU . 9.8 p -174.97 152.14 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.145 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 666' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -130.74 -71.26 0.59 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.931 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 667' ' ' ASP . . . . . 0.401 ' C ' ' N ' ' A' ' 669' ' ' PHE . 0.5 OUTLIER -60.91 -63.49 1.28 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.865 179.918 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 668' ' ' LEU . . . . . 0.491 ' HB2' ' CG2' ' A' ' 665' ' ' VAL . 4.0 mm? -44.93 -22.36 0.09 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.907 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 669' ' ' PHE . . . . . 0.438 ' O ' ' CD2' ' A' ' 672' ' ' TYR . 1.0 OUTLIER -65.33 -49.34 69.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 670' ' ' LEU . . . . . 0.478 HD22 ' HA ' ' A' ' 704' ' ' LEU . 18.9 mt -78.83 -30.0 45.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.922 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 671' ' ' GLN . . . . . . . . . . . . . 58.5 mt-30 -63.64 -46.06 87.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.941 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 672' ' ' TYR . . . . . 0.657 ' C ' ' CD1' ' A' ' 672' ' ' TYR . 0.1 OUTLIER -65.23 -34.9 79.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 -179.851 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 673' ' ' ILE . . . . . 0.633 HD13 HG21 ' A' ' 703' ' ' ILE . 75.2 mt -74.86 -37.36 41.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.093 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 674' ' ' GLN . . . . . 0.484 ' CG ' HD22 ' A' ' 704' ' ' LEU . 9.3 mt-30 -74.6 -45.06 47.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.951 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 675' ' ' LYS . . . . . . . . . . . . . 31.2 mttm -76.58 -68.55 0.58 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 676' ' ' ASN . . . . . . . . . . . . . 5.8 m-80 -97.34 175.22 6.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.899 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 4.4 p -140.61 175.36 9.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.179 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 678' ' ' ILE . . . . . . . . . . . . . 23.6 mt -94.88 143.28 12.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.149 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 28.2 m -117.73 111.16 18.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.14 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 680' ' ' LEU . . . . . 0.673 HD23 ' O ' ' A' ' 680' ' ' LEU . 4.8 tt -115.48 109.71 18.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.999 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 681' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -101.0 144.62 29.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 682' ' ' VAL . . . . . 0.477 HG22 ' SG ' ' A' ' 633' ' ' CYS . 92.7 t -119.44 112.19 36.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.131 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 683' ' ' HIS . . . . . 0.712 ' CD2' ' CZ ' ' A' ' 632' ' ' PHE . 4.8 p-80 -105.36 163.51 12.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 684' ' ' GLN . . . . . 0.54 ' HA ' HG22 ' A' ' 631' ' ' THR . 33.5 tt0 -100.26 152.58 20.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.958 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -96.64 123.52 40.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.045 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 686' ' ' TYR . . . . . 0.53 ' CE1' ' HB3' ' A' ' 684' ' ' GLN . 9.5 m-85 -116.34 168.41 10.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.962 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 687' ' ' SER . . . . . . . . . . . . . 32.8 p -38.52 -69.7 0.12 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.858 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 688' ' ' THR . . . . . . . . . . . . . 63.6 p -134.1 27.53 3.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.094 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 689' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -141.48 169.4 17.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.908 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 690' ' ' TYR . . . . . . . . . . . . . 37.4 m-85 -153.78 140.74 19.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 691' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -149.59 149.74 31.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.906 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 692' ' ' THR . . . . . . . . . . . . . 31.0 m -92.7 113.81 26.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.14 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 693' ' ' ILE . . . . . 0.547 ' H ' HD13 ' A' ' 693' ' ' ILE . 0.2 OUTLIER -98.57 -16.77 6.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.139 179.923 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -138.07 161.01 37.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.095 179.775 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 695' ' ' ALA . . . . . . . . . . . . . . . -168.97 137.26 2.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.079 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 696' ' ' CYS . . . . . . . . . . . . . 18.0 p -151.33 178.7 9.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 697' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -131.66 116.42 17.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.931 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 698' ' ' LEU . . . . . 0.633 HD22 ' CE2' ' A' ' 731' ' ' TYR . 27.6 mt -74.89 138.02 42.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 699' ' ' LYS . . . . . . . . . . . . . 7.8 ptpp? -154.31 133.28 12.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.849 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 700' ' ' PHE . . . . . 0.578 ' CD1' ' CE1' ' A' ' 733' ' ' PHE . 3.3 m-85 -110.97 124.64 52.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.868 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 701' ' ' HIS . . . . . . . . . . . . . 40.9 m-70 -88.9 -47.08 8.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.86 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 702' ' ' GLU . . . . . 0.584 ' HB2' HG21 ' A' ' 710' ' ' ILE . 2.1 mp0 -53.38 -43.48 67.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.885 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 703' ' ' ILE . . . . . 0.633 HG21 HD13 ' A' ' 673' ' ' ILE . 13.4 tt -47.96 -18.46 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.15 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 704' ' ' LEU . . . . . 0.484 HD22 ' CG ' ' A' ' 674' ' ' GLN . 50.6 mt -76.29 -47.09 24.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.942 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 705' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -98.42 -48.9 4.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.914 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 706' ' ' LYS . . . . . 0.407 ' N ' ' O ' ' A' ' 702' ' ' GLU . 46.5 mttm -88.09 169.79 11.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.937 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 707' ' ' SER . . . . . . . . . . . . . 11.1 t -146.54 133.53 20.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.832 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 708' ' ' GLY . . . . . . . . . . . . . . . 113.39 -147.38 18.58 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.445 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 709' ' ' ARG . . . . . 0.437 ' C ' HG13 ' A' ' 710' ' ' ILE . 8.4 ptp180 -67.87 126.28 28.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.779 0.323 . . . . 0.0 110.866 -179.859 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 710' ' ' ILE . . . . . 0.584 HG21 ' HB2' ' A' ' 702' ' ' GLU . 49.5 mt -145.08 132.54 16.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.099 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 711' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -84.69 132.64 34.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 712' ' ' CYS . . . . . . . . . . . . . 13.6 t -162.35 165.13 26.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 713' ' ' THR . . . . . . . . . . . . . 34.8 p -145.56 168.82 19.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.134 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 714' ' ' ALA . . . . . 0.526 ' HB3' ' CG1' ' A' ' 729' ' ' VAL . . . -139.13 146.37 40.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.131 179.863 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 715' ' ' SER . . . . . . . . . . . . . 3.2 t -90.45 151.58 21.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.831 -179.74 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 716' ' ' LEU . . . . . . . . . . . . . 9.0 mt -118.9 143.3 47.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.898 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 717' ' ' ILE . . . . . . . . . . . . . 5.1 mp -129.31 147.9 33.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.118 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 718' ' ' GLY . . . . . . . . . . . . . . . -80.06 145.59 27.18 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.466 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 719' ' ' THR . . . . . . . . . . . . . 40.2 p -79.56 -57.54 3.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.86 0.362 . . . . 0.0 111.165 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 720' ' ' LYS . . . . . . . . . . . . . 22.7 mtmt -83.04 -47.88 11.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.93 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 721' ' ' GLY . . . . . . . . . . . . . . . -68.97 -27.67 73.7 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.515 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 722' ' ' ASP . . . . . . . . . . . . . 32.9 m-20 60.79 38.92 17.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.789 0.328 . . . . 0.0 110.882 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 723' ' ' ILE . . . . . . . . . . . . . 34.1 mt -90.0 116.61 66.78 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.673 0.749 . . . . 0.0 111.121 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 724' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 -33.81 15.73 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.645 2.23 . . . . 0.0 112.348 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 725' ' ' ASN . . . . . . . . . . . . . 76.1 m-20 -93.82 45.77 1.16 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 726' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -66.78 -44.14 82.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.854 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 727' ' ' GLY . . . . . . . . . . . . . . . 160.57 164.6 15.84 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.537 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 728' ' ' THR . . . . . . . . . . . . . 8.6 m -114.99 146.53 41.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.846 0.355 . . . . 0.0 111.167 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 729' ' ' VAL . . . . . 0.526 ' CG1' ' HB3' ' A' ' 714' ' ' ALA . 14.2 p -105.62 142.46 18.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.124 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -115.89 127.83 55.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.875 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 731' ' ' TYR . . . . . 0.633 ' CE2' HD22 ' A' ' 698' ' ' LEU . 3.1 p90 -157.6 174.56 15.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.949 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 732' ' ' TRP . . . . . 0.455 ' HE1' ' CD2' ' A' ' 610' ' ' HIS . 45.7 p-90 -155.21 123.67 5.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.91 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 733' ' ' PHE . . . . . 0.578 ' CE1' ' CD1' ' A' ' 700' ' ' PHE . 13.0 p90 -102.19 157.85 16.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.914 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 734' ' ' ARG . . . . . . . . . . . . . 24.7 ttp180 -144.79 117.47 8.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.863 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 735' ' ' LEU . . . . . . . . . . . . . 45.7 tp -116.21 104.77 11.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.95 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 736' ' ' ARG . . . . . . . . . . . . . 34.8 ttm180 -147.89 153.27 38.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 737' ' ' VAL . . . . . 0.592 HG22 ' H ' ' A' ' 739' ' ' GLY . 10.0 p -47.36 151.21 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.154 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 738' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -130.41 31.65 4.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.843 -179.824 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 739' ' ' GLY . . . . . 0.592 ' H ' HG22 ' A' ' 737' ' ' VAL . . . 68.51 133.84 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.534 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 740' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 167.51 24.27 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.657 2.238 . . . . 0.0 112.339 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 15.2 t -173.95 152.86 2.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.867 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 3.4 m 59.22 43.73 16.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.894 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 743' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.506 179.999 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 588' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 61.5 m -152.9 154.63 35.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.837 0.351 . . . . 0.0 110.893 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 590' ' ' SER . . . . . . . . . . . . . 3.6 m -108.38 177.44 4.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.884 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 591' ' ' GLY . . . . . . . . . . . . . . . -150.39 -175.42 22.44 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.517 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 71.2 p -110.88 170.7 7.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.905 0.383 . . . . 0.0 110.852 -179.725 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 35.9 t -44.16 161.18 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.821 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 594' ' ' GLY . . . . . . . . . . . . . . . -73.27 143.41 32.99 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.513 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 595' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -105.92 4.35 29.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.749 0.309 . . . . 0.0 110.87 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 596' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -88.82 42.63 1.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.913 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 597' ' ' THR . . . . . . . . . . . . . 64.5 p -107.86 114.54 28.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.2 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 598' ' ' ILE . . . . . 0.768 ' H ' HD12 ' A' ' 598' ' ' ILE . 5.4 mp -44.45 -49.73 2.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.111 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 599' ' ' HIS . . . . . . . . . . . . . 15.6 m-70 -95.85 87.74 4.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.864 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 600' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -45.4 150.99 0.41 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 601' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -100.0 150.78 22.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 602' ' ' ARG . . . . . . . . . . . . . 3.9 ppt_? -143.77 152.83 41.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.857 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 603' ' ' GLY . . . . . . . . . . . . . . . 135.54 -115.26 1.33 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.495 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 604' ' ' GLU . . . . . 0.787 ' HG3' HD11 ' A' ' 662' ' ' LEU . 3.0 tp10 -45.6 121.63 3.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.855 0.359 . . . . 0.0 110.874 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 605' ' ' ASN . . . . . 0.451 ' ND2' ' OD1' ' A' ' 666' ' ' ASN . 90.8 m-20 -130.88 156.36 45.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.908 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 606' ' ' LEU . . . . . 0.549 HD23 ' O ' ' A' ' 606' ' ' LEU . 6.5 tt -126.49 114.68 18.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 607' ' ' PHE . . . . . 0.757 ' CD1' HD21 ' A' ' 735' ' ' LEU . 42.8 t80 -95.94 131.6 42.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.892 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 608' ' ' GLU . . . . . 0.449 ' OE2' ' CZ3' ' A' ' 732' ' ' TRP . 1.2 pp20? -141.18 139.03 33.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.863 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 609' ' ' ILE . . . . . 0.568 HD11 ' HE2' ' A' ' 607' ' ' PHE . 88.6 mt -119.96 125.77 74.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.13 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 610' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -125.44 106.52 9.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.842 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 44.0 mm -83.31 112.72 21.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.152 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 612' ' ' ASN . . . . . . . . . . . . . 66.5 m-80 -67.13 -67.44 0.45 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 613' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.91 173.97 9.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.845 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 614' ' ' VAL . . . . . 0.64 HG22 HG23 ' A' ' 729' ' ' VAL . 87.3 t -128.15 136.32 60.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.142 179.849 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 615' ' ' THR . . . . . . . . . . . . . 26.1 m -107.78 143.16 36.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.178 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 616' ' ' PHE . . . . . 0.481 ' CD1' HG11 ' A' ' 620' ' ' VAL . 46.2 m-85 -117.46 155.23 30.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.91 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 617' ' ' SER . . . . . 0.449 ' CB ' ' O ' ' A' ' 725' ' ' ASN . 1.0 OUTLIER -99.94 154.22 18.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 -179.821 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 618' ' ' SER . . . . . 0.564 ' HA ' HD12 ' A' ' 621' ' ' LEU . 32.4 m -34.14 -61.92 0.34 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.836 -179.846 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 619' ' ' GLU . . . . . . . . . . . . . 6.0 mp0 -39.3 -43.69 1.18 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.87 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 620' ' ' VAL . . . . . 0.481 HG11 ' CD1' ' A' ' 616' ' ' PHE . 10.1 t -79.03 -38.61 20.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.121 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 621' ' ' LEU . . . . . 0.564 HD12 ' HA ' ' A' ' 618' ' ' SER . 69.8 mt -57.69 -49.2 77.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.928 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 622' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -65.08 -47.25 77.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -44.78 -45.35 9.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.102 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 60.0 p -60.54 -48.91 79.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.848 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 625' ' ' GLY . . . . . . . . . . . . . . . 95.14 -152.65 20.52 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.479 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 626' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -91.41 45.93 1.27 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.873 0.368 . . . . 0.0 110.872 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 10.2 ptpp? -142.66 172.64 12.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.935 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 628' ' ' GLU . . . . . 0.43 ' HA ' ' HD2' ' A' ' 629' ' ' PRO . 7.2 mp0 -113.32 93.13 25.12 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.595 0.712 . . . . 0.0 110.896 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 629' ' ' PRO . . . . . 0.43 ' HD2' ' HA ' ' A' ' 628' ' ' GLU . 54.0 Cg_endo -69.77 110.0 2.45 Favored 'Trans proline' 0 N--CA 1.465 -0.162 0 C-N-CA 122.695 2.263 . . . . 0.0 112.386 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 630' ' ' VAL . . . . . 0.757 HG22 ' HB3' ' A' ' 649' ' ' ARG . 13.2 t -74.42 133.45 31.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.153 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 631' ' ' THR . . . . . 0.777 HG22 ' HA ' ' A' ' 684' ' ' GLN . 43.9 p -142.12 162.56 35.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.114 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 632' ' ' PHE . . . . . 0.539 ' CE2' ' NE2' ' A' ' 683' ' ' HIS . 43.0 p90 -149.22 140.99 23.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.914 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 633' ' ' CYS . . . . . . . . . . . . . 73.6 m -89.77 155.26 19.31 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.907 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 634' ' ' THR . . . . . 0.424 ' HB ' HD11 ' A' ' 642' ' ' LEU . 45.6 p -146.43 122.82 10.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.124 -179.847 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 635' ' ' TYR . . . . . 0.404 ' O ' HD13 ' A' ' 642' ' ' LEU . 4.5 p90 -145.42 158.34 43.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 636' ' ' ALA . . . . . 0.711 ' HB2' HD22 ' A' ' 642' ' ' LEU . . . -119.47 158.39 26.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.073 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 637' ' ' PHE . . . . . 0.534 ' O ' ' C ' ' A' ' 638' ' ' TYR . 2.3 t80 -119.07 157.81 27.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 638' ' ' TYR . . . . . 0.609 ' O ' ' CD2' ' A' ' 640' ' ' PHE . 2.2 m-85 -25.96 108.71 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.935 -179.864 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 639' ' ' ASP . . . . . 0.446 ' C ' ' O ' ' A' ' 638' ' ' TYR . 2.4 m-20 34.78 54.07 0.67 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.819 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 640' ' ' PHE . . . . . 0.609 ' CD2' ' O ' ' A' ' 638' ' ' TYR . 20.0 m-85 -126.31 176.29 7.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.874 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -81.13 133.73 35.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.884 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 642' ' ' LEU . . . . . 0.711 HD22 ' HB2' ' A' ' 636' ' ' ALA . 0.2 OUTLIER -55.58 110.47 0.71 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 643' ' ' GLN . . . . . . . . . . . . . 7.0 tp-100 -81.26 115.78 20.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.961 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 644' ' ' THR . . . . . . . . . . . . . 92.9 m -96.07 113.22 24.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.124 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 645' ' ' THR . . . . . . . . . . . . . 2.6 p -60.54 157.54 36.04 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.539 0.685 . . . . 0.0 111.154 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 646' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 139.64 40.77 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.676 2.25 . . . . 0.0 112.366 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 647' ' ' VAL . . . . . 0.414 ' CG1' HG11 ' A' ' 630' ' ' VAL . 88.9 t -68.7 132.27 33.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.115 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 8.4 m -144.74 125.86 8.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.059 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 649' ' ' ARG . . . . . 0.757 ' HB3' HG22 ' A' ' 630' ' ' VAL . 11.0 ptm180 -90.84 153.13 20.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.82 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 650' ' ' GLY . . . . . . . . . . . . . . . 123.78 -176.52 16.79 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.529 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 651' ' ' LEU . . . . . 0.441 ' HA ' HD13 ' A' ' 651' ' ' LEU . 3.4 mm? -96.32 -58.79 1.98 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.845 0.355 . . . . 0.0 110.939 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 652' ' ' HIS . . . . . . . . . . . . . 8.5 m80 -111.0 69.29 0.64 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.587 0.708 . . . . 0.0 110.897 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 653' ' ' PRO . . . . . 0.408 ' HD3' ' C ' ' A' ' 651' ' ' LEU . 53.6 Cg_endo -69.79 170.05 17.53 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.683 2.255 . . . . 0.0 112.31 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 654' ' ' GLU . . . . . 0.441 ' O ' ' C ' ' A' ' 655' ' ' TYR . 29.4 mt-10 -126.3 70.5 1.24 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 655' ' ' TYR . . . . . 0.441 ' C ' ' O ' ' A' ' 654' ' ' GLU . 80.9 m-85 -34.36 -54.38 0.52 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.972 -179.862 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 31.4 m-20 50.27 35.05 9.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.91 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 657' ' ' PHE . . . . . 0.444 ' CZ ' ' HB3' ' A' ' 659' ' ' SER . 4.3 t80 -98.83 120.26 38.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 7.3 m -120.14 120.91 37.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.12 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 659' ' ' SER . . . . . 0.444 ' HB3' ' CZ ' ' A' ' 657' ' ' PHE . 24.7 p -102.82 164.32 11.7 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 -179.868 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 -140.53 130.01 24.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.907 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 661' ' ' TYR . . . . . . . . . . . . . 80.2 m-85 -154.7 136.61 14.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.927 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 662' ' ' LEU . . . . . 0.787 HD11 ' HG3' ' A' ' 604' ' ' GLU . 1.1 tm? -94.98 121.82 36.98 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.939 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 663' ' ' VAL . . . . . 0.592 ' N ' HD13 ' A' ' 662' ' ' LEU . 30.4 m -128.16 137.83 56.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.11 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 664' ' ' HIS . . . . . . . . . . . . . 7.4 p-80 -101.8 100.62 10.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.85 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 665' ' ' VAL . . . . . 0.572 HG13 ' HB2' ' A' ' 669' ' ' PHE . 10.6 p -175.23 140.88 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.109 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 666' ' ' ASN . . . . . 0.451 ' OD1' ' ND2' ' A' ' 605' ' ' ASN . 71.5 m-20 -131.71 -56.9 1.0 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 667' ' ' ASP . . . . . . . . . . . . . 36.3 m-20 -63.33 -57.16 11.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.897 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 668' ' ' LEU . . . . . 0.437 HD13 ' CD ' ' A' ' 671' ' ' GLN . 3.9 mm? -66.49 -16.56 64.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 669' ' ' PHE . . . . . 0.572 ' HB2' HG13 ' A' ' 665' ' ' VAL . 9.0 t80 -74.87 -33.87 62.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.898 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 670' ' ' LEU . . . . . . . . . . . . . 42.8 mt -85.0 -66.2 0.92 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.913 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 671' ' ' GLN . . . . . 0.438 ' CG ' ' N ' ' A' ' 672' ' ' TYR . 17.9 pt20 -39.6 -53.65 2.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 672' ' ' TYR . . . . . 0.525 ' O ' ' N ' ' A' ' 676' ' ' ASN . 4.7 t80 -47.21 -52.65 15.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.933 -179.876 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 673' ' ' ILE . . . . . . . . . . . . . 25.2 mt -68.65 -30.5 47.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.131 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 674' ' ' GLN . . . . . 0.491 ' CG ' HD22 ' A' ' 704' ' ' LEU . 8.6 mt-30 -64.53 -48.32 75.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.875 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 675' ' ' LYS . . . . . 0.406 ' HG2' ' O ' ' A' ' 671' ' ' GLN . 0.0 OUTLIER -100.12 -53.06 3.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.911 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 676' ' ' ASN . . . . . 0.525 ' N ' ' O ' ' A' ' 672' ' ' TYR . 34.9 m-20 -84.35 157.84 21.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.864 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 44.8 p -140.96 170.64 15.35 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.089 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 678' ' ' ILE . . . . . . . . . . . . . 5.2 mp -92.02 118.21 37.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.111 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 679' ' ' THR . . . . . 0.528 HG22 ' CD ' ' A' ' 681' ' ' GLU . 34.5 m -87.36 102.13 14.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.176 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 680' ' ' LEU . . . . . 0.718 HD23 ' O ' ' A' ' 680' ' ' LEU . 7.3 tt -105.38 99.5 9.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.932 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 681' ' ' GLU . . . . . 0.528 ' CD ' HG22 ' A' ' 679' ' ' THR . 3.9 mp0 -94.21 137.38 33.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.865 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 682' ' ' VAL . . . . . . . . . . . . . 55.7 t -108.23 144.48 16.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.142 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 683' ' ' HIS . . . . . 0.539 ' NE2' ' CE2' ' A' ' 632' ' ' PHE . 1.3 p-80 -137.1 139.93 41.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.84 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 684' ' ' GLN . . . . . 0.777 ' HA ' HG22 ' A' ' 631' ' ' THR . 38.1 mt-30 -84.35 127.46 34.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -86.77 102.55 14.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.108 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 686' ' ' TYR . . . . . 0.541 ' CD2' ' O ' ' A' ' 689' ' ' GLU . 2.9 m-85 -81.02 163.38 23.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.934 -179.861 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 687' ' ' SER . . . . . . . . . . . . . 21.0 p -67.45 -5.1 13.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.9 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 688' ' ' THR . . . . . 0.469 HG23 ' H ' ' A' ' 689' ' ' GLU . 0.0 OUTLIER -124.38 -55.31 1.65 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.134 -179.917 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 689' ' ' GLU . . . . . 0.541 ' O ' ' CD2' ' A' ' 686' ' ' TYR . 1.3 tp10 -134.36 -178.4 5.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.869 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 690' ' ' TYR . . . . . 0.42 ' CD1' ' C ' ' A' ' 689' ' ' GLU . 0.5 OUTLIER -139.4 117.14 11.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.916 -179.859 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 691' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -126.67 153.04 45.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.894 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 692' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -70.33 140.62 52.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.151 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 693' ' ' ILE . . . . . 0.534 ' H ' HD13 ' A' ' 693' ' ' ILE . 0.1 OUTLIER -130.81 -4.16 2.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.153 179.912 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -162.29 140.62 8.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.136 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 695' ' ' ALA . . . . . . . . . . . . . . . -132.0 147.78 52.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.12 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 696' ' ' CYS . . . . . . . . . . . . . 14.0 p -168.53 150.27 4.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 697' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -119.22 110.28 16.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.852 -179.814 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 698' ' ' LEU . . . . . 0.715 HD23 ' CE1' ' A' ' 731' ' ' TYR . 4.7 mp -68.68 143.06 54.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 699' ' ' LYS . . . . . . . . . . . . . 10.0 pttp -152.3 129.97 11.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.927 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 700' ' ' PHE . . . . . 0.441 ' CD2' ' CD1' ' A' ' 733' ' ' PHE . 0.2 OUTLIER -101.64 123.99 46.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.892 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 701' ' ' HIS . . . . . . . . . . . . . 2.6 m80 -90.25 -39.35 12.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.887 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 702' ' ' GLU . . . . . 0.883 ' HB2' HG21 ' A' ' 710' ' ' ILE . 5.4 mm-40 -59.43 -38.7 81.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.894 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 703' ' ' ILE . . . . . . . . . . . . . 10.5 tt -52.04 -15.71 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.116 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 704' ' ' LEU . . . . . 0.491 HD22 ' CG ' ' A' ' 674' ' ' GLN . 36.3 mt -83.34 -41.62 18.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.916 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 705' ' ' GLU . . . . . . . . . . . . . 64.2 mm-40 -96.66 -57.77 2.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.889 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 706' ' ' LYS . . . . . . . . . . . . . 13.1 mttp -90.6 178.34 6.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.961 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 707' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -155.95 123.8 5.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.866 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 708' ' ' GLY . . . . . . . . . . . . . . . 120.57 -145.27 17.39 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.486 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 709' ' ' ARG . . . . . . . . . . . . . 4.6 mtp180 -51.97 99.42 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.794 0.331 . . . . 0.0 110.868 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 710' ' ' ILE . . . . . 0.883 HG21 ' HB2' ' A' ' 702' ' ' GLU . 22.6 mt -137.35 131.45 44.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.156 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 711' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -97.0 142.88 28.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 712' ' ' CYS . . . . . . . . . . . . . 4.8 m -155.36 164.33 38.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.949 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 713' ' ' THR . . . . . . . . . . . . . 21.6 p -140.23 170.28 16.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.162 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 714' ' ' ALA . . . . . 0.748 ' HB3' ' CG1' ' A' ' 729' ' ' VAL . . . -144.78 143.65 30.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.13 179.838 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 715' ' ' SER . . . . . . . . . . . . . 75.6 m -87.03 161.83 17.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.835 -179.754 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 716' ' ' LEU . . . . . . . . . . . . . 11.5 mt -130.38 144.88 51.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.919 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 717' ' ' ILE . . . . . . . . . . . . . 5.3 mp -135.85 114.5 15.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.156 179.813 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 718' ' ' GLY . . . . . . . . . . . . . . . -55.0 146.09 28.76 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.467 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 719' ' ' THR . . . . . . . . . . . . . 27.9 p -91.81 -63.79 1.2 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.9 0.381 . . . . 0.0 111.153 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 720' ' ' LYS . . . . . 0.466 ' N ' ' HE3' ' A' ' 720' ' ' LYS . 0.1 OUTLIER -75.53 48.61 0.45 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 179.891 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 721' ' ' GLY . . . . . . . . . . . . . . . 178.52 -29.04 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.511 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 722' ' ' ASP . . . . . . . . . . . . . 24.8 t70 68.41 45.07 1.21 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.768 0.318 . . . . 0.0 110.918 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 723' ' ' ILE . . . . . 0.419 ' HA ' ' HD2' ' A' ' 724' ' ' PRO . 69.7 mt -94.92 106.68 26.5 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.608 0.718 . . . . 0.0 111.144 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 724' ' ' PRO . . . . . 0.419 ' HD2' ' HA ' ' A' ' 723' ' ' ILE . 53.6 Cg_endo -69.75 -35.28 12.95 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.69 2.26 . . . . 0.0 112.363 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 725' ' ' ASN . . . . . 0.449 ' O ' ' CB ' ' A' ' 617' ' ' SER . 36.2 m-20 -84.09 34.66 0.51 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.919 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 726' ' ' PHE . . . . . 0.404 ' CE1' HG22 ' A' ' 620' ' ' VAL . 8.3 t80 -60.89 -38.84 87.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.904 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 727' ' ' GLY . . . . . . . . . . . . . . . 142.95 173.24 14.47 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.462 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 728' ' ' THR . . . . . . . . . . . . . 3.3 m -119.77 144.78 47.1 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.845 0.355 . . . . 0.0 111.137 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 729' ' ' VAL . . . . . 0.748 ' CG1' ' HB3' ' A' ' 714' ' ' ALA . 9.1 p -103.07 134.46 44.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.08 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -107.35 139.97 41.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 731' ' ' TYR . . . . . 0.715 ' CE1' HD23 ' A' ' 698' ' ' LEU . 42.1 p90 -155.14 177.47 11.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.928 -179.876 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 732' ' ' TRP . . . . . 0.592 ' CZ2' ' HB2' ' A' ' 734' ' ' ARG . 26.8 t90 -147.88 129.29 14.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.975 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 733' ' ' PHE . . . . . 0.441 ' CD1' ' CD2' ' A' ' 700' ' ' PHE . 18.5 p90 -126.54 150.93 48.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.865 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 734' ' ' ARG . . . . . 0.592 ' HB2' ' CZ2' ' A' ' 732' ' ' TRP . 58.9 ttt180 -148.99 111.97 4.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 735' ' ' LEU . . . . . 0.757 HD21 ' CD1' ' A' ' 607' ' ' PHE . 3.6 mm? -103.55 108.34 19.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.958 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 736' ' ' ARG . . . . . . . . . . . . . 9.3 tpp85 -139.56 135.94 33.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 737' ' ' VAL . . . . . . . . . . . . . 7.9 p -47.49 131.94 4.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.135 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 738' ' ' SER . . . . . . . . . . . . . 24.8 t -103.18 133.86 47.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.887 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 739' ' ' GLY . . . . . . . . . . . . . . . -97.31 -154.36 29.76 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.461 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 740' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 -5.83 17.15 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.642 2.228 . . . . 0.0 112.328 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 69.6 m -40.16 143.07 0.31 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.847 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 71.5 m -48.11 126.58 11.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.85 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 743' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.5 -179.965 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 588' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 55.3 m 62.08 42.09 10.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.882 0.373 . . . . 0.0 110.875 -179.7 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 590' ' ' SER . . . . . . . . . . . . . 98.5 p -154.16 153.35 31.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 591' ' ' GLY . . . . . . . . . . . . . . . 142.91 64.16 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.507 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 52.6 p -78.67 133.83 37.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.856 0.36 . . . . 0.0 110.88 -179.728 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 5.1 t -50.61 -51.36 49.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.836 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 594' ' ' GLY . . . . . . . . . . . . . . . 126.79 71.36 0.18 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.483 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 595' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -154.25 143.75 21.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.776 0.322 . . . . 0.0 110.873 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 596' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -145.06 116.57 8.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 597' ' ' THR . . . . . . . . . . . . . 14.7 t -174.76 155.81 2.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.125 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 598' ' ' ILE . . . . . 0.64 HG23 ' CB ' ' A' ' 707' ' ' SER . 21.1 mt -87.09 -61.84 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.125 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 599' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -156.87 131.24 8.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.861 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 600' ' ' LEU . . . . . 0.76 HD13 ' N ' ' A' ' 600' ' ' LEU . 0.0 OUTLIER -108.16 16.61 23.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.938 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 601' ' ' GLU . . . . . 0.473 ' HG3' ' N ' ' A' ' 602' ' ' ARG . 4.4 pt-20 -124.52 -176.1 3.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.854 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 602' ' ' ARG . . . . . 0.473 ' N ' ' HG3' ' A' ' 601' ' ' GLU . 0.0 OUTLIER -127.72 141.8 51.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.862 -179.93 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 603' ' ' GLY . . . . . . . . . . . . . . . 156.29 -147.47 16.09 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.497 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 604' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -95.27 153.52 17.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.797 0.332 . . . . 0.0 110.908 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 605' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -121.13 173.83 7.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.848 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 606' ' ' LEU . . . . . . . . . . . . . 8.3 tp -140.6 139.28 34.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.905 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 607' ' ' PHE . . . . . 0.535 ' CG ' ' CZ ' ' A' ' 637' ' ' PHE . 8.0 t80 -139.52 139.46 36.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 608' ' ' GLU . . . . . 0.412 ' C ' HG13 ' A' ' 609' ' ' ILE . 1.5 pm0 -150.2 168.27 24.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.902 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 609' ' ' ILE . . . . . 0.412 HG13 ' C ' ' A' ' 608' ' ' GLU . 79.5 mt -147.11 134.39 14.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.107 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 610' ' ' HIS . . . . . 0.47 ' HB3' ' NE1' ' A' ' 732' ' ' TRP . 73.7 t60 -131.05 138.5 49.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.834 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 41.9 mm -107.69 133.17 53.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.161 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 612' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -84.59 -64.62 1.13 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 613' ' ' LYS . . . . . . . . . . . . . 2.1 pttm -167.89 163.59 13.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.912 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 614' ' ' VAL . . . . . . . . . . . . . 92.7 t -122.71 121.74 64.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.13 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 615' ' ' THR . . . . . 0.492 HG22 ' N ' ' A' ' 616' ' ' PHE . 14.0 m -89.4 161.21 16.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.144 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 616' ' ' PHE . . . . . 0.567 ' HB3' HG21 ' A' ' 620' ' ' VAL . 23.8 m-85 -135.79 146.59 47.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 1.1 t -90.54 171.65 9.26 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.859 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 618' ' ' SER . . . . . . . . . . . . . 66.1 m -63.09 -20.32 65.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.842 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 619' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -63.16 -66.61 0.52 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.878 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 620' ' ' VAL . . . . . 0.567 HG21 ' HB3' ' A' ' 616' ' ' PHE . 35.9 m -52.04 -27.54 9.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.107 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 621' ' ' LEU . . . . . . . . . . . . . 80.4 mt -72.07 -61.61 1.73 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.954 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 622' ' ' GLN . . . . . . . . . . . . . 58.4 mm-40 -48.62 -46.07 39.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.912 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -66.21 -38.14 87.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.03 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 19.4 m -66.93 -65.42 0.68 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.84 -179.75 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 625' ' ' GLY . . . . . . . . . . . . . . . 132.97 -166.95 23.5 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.47 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 626' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -93.76 44.12 1.12 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.874 0.368 . . . . 0.0 110.868 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 17.9 mtpt -139.78 110.74 6.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 26.4 mp0 -38.65 100.2 0.2 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.629 0.728 . . . . 0.0 110.88 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 629' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 111.06 2.71 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.695 2.263 . . . . 0.0 112.366 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 630' ' ' VAL . . . . . 0.583 HG12 ' CG2' ' A' ' 647' ' ' VAL . 11.7 t -81.91 112.09 19.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.148 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 631' ' ' THR . . . . . 0.62 HG22 ' HA ' ' A' ' 684' ' ' GLN . 14.4 p -133.3 167.09 21.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.146 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 632' ' ' PHE . . . . . 0.641 ' CE1' ' NE2' ' A' ' 683' ' ' HIS . 42.9 p90 -144.46 158.56 43.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 633' ' ' CYS . . . . . 0.598 ' O ' HG23 ' A' ' 645' ' ' THR . 0.8 OUTLIER -105.69 158.9 16.39 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 -179.895 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 634' ' ' THR . . . . . . . . . . . . . 65.9 p -149.05 146.61 27.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.128 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 635' ' ' TYR . . . . . . . . . . . . . 43.6 p90 -174.85 146.3 0.91 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.931 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 636' ' ' ALA . . . . . . . . . . . . . . . -112.7 159.82 18.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.057 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 637' ' ' PHE . . . . . 0.535 ' CZ ' ' CG ' ' A' ' 607' ' ' PHE . 48.8 t80 -120.57 145.28 47.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.851 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 638' ' ' TYR . . . . . 0.517 ' HB3' ' CD2' ' A' ' 640' ' ' PHE . 2.6 t80 41.66 32.47 0.25 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 639' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 59.65 42.42 17.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.907 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 640' ' ' PHE . . . . . 0.517 ' CD2' ' HB3' ' A' ' 638' ' ' TYR . 16.6 m-85 -103.46 -179.69 4.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.923 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 2.0 pm0 -41.64 129.22 3.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.905 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 642' ' ' LEU . . . . . 0.623 HD13 ' C ' ' A' ' 642' ' ' LEU . 0.8 OUTLIER -64.9 109.63 2.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.927 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 643' ' ' GLN . . . . . 0.544 ' N ' HD13 ' A' ' 642' ' ' LEU . 2.7 tp60 -84.09 117.27 23.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 644' ' ' THR . . . . . . . . . . . . . 95.9 m -92.71 122.45 35.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.118 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 645' ' ' THR . . . . . 0.598 HG23 ' O ' ' A' ' 633' ' ' CYS . 11.8 p -71.07 151.58 94.84 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.608 0.718 . . . . 0.0 111.148 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 646' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 115.11 3.93 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.691 2.261 . . . . 0.0 112.369 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 647' ' ' VAL . . . . . 0.583 ' CG2' HG12 ' A' ' 630' ' ' VAL . 7.1 p -68.31 143.37 15.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.123 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 11.3 m -145.63 150.33 15.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.108 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 649' ' ' ARG . . . . . . . . . . . . . 7.1 ptt180 -84.69 126.24 33.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 650' ' ' GLY . . . . . . . . . . . . . . . 144.97 163.77 10.27 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.462 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 651' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -86.75 -49.29 7.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.845 0.355 . . . . 0.0 110.897 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 652' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -118.64 61.83 4.95 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.591 0.71 . . . . 0.0 110.82 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 653' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -176.47 1.5 Allowed 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.694 2.263 . . . . 0.0 112.34 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 72.3 mt-10 -134.83 78.48 1.74 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.872 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 655' ' ' TYR . . . . . . . . . . . . . 18.1 m-85 -45.71 -57.04 4.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.981 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 56.55 47.42 18.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.925 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 657' ' ' PHE . . . . . . . . . . . . . 20.9 t80 -94.86 124.89 39.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.836 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 3.5 m -113.94 148.32 37.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.14 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 7.2 p -152.57 166.18 32.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.832 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 660' ' ' GLN . . . . . 0.529 ' O ' ' CD1' ' A' ' 661' ' ' TYR . 38.2 mt-30 -149.98 146.56 27.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.846 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 661' ' ' TYR . . . . . 0.529 ' CD1' ' O ' ' A' ' 660' ' ' GLN . 21.6 m-85 -149.16 120.79 8.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 662' ' ' LEU . . . . . 0.459 HD13 ' C ' ' A' ' 662' ' ' LEU . 0.7 OUTLIER -80.85 102.65 10.17 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.942 179.928 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 663' ' ' VAL . . . . . . . . . . . . . 17.6 m -124.54 135.06 65.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.182 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 664' ' ' HIS . . . . . . . . . . . . . 51.0 p-80 -108.61 119.39 39.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.852 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 665' ' ' VAL . . . . . 0.592 HG12 ' H ' ' A' ' 666' ' ' ASN . 2.2 t -148.89 170.72 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.125 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 666' ' ' ASN . . . . . 0.592 ' H ' HG12 ' A' ' 665' ' ' VAL . 2.3 m-80 -115.38 -174.5 2.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 667' ' ' ASP . . . . . 0.443 ' C ' ' O ' ' A' ' 666' ' ' ASN . 6.8 m-20 -34.83 -32.01 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 668' ' ' LEU . . . . . 0.501 ' N ' ' O ' ' A' ' 666' ' ' ASN . 4.3 mm? -46.89 -51.32 17.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 669' ' ' PHE . . . . . 0.448 ' C ' ' O ' ' A' ' 668' ' ' LEU . 7.0 t80 -34.44 -32.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 670' ' ' LEU . . . . . 0.5 ' N ' ' O ' ' A' ' 668' ' ' LEU . 69.1 mt -68.91 -61.7 1.69 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.922 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 671' ' ' GLN . . . . . 0.445 ' C ' ' O ' ' A' ' 670' ' ' LEU . 6.7 pt20 -34.81 -44.45 0.22 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 672' ' ' TYR . . . . . 0.433 ' N ' ' CG ' ' A' ' 671' ' ' GLN . 5.0 t80 -57.6 -44.68 85.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.948 -179.853 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 673' ' ' ILE . . . . . 0.721 HD13 HG21 ' A' ' 703' ' ' ILE . 72.5 mt -62.44 -44.28 99.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.129 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 674' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -70.9 -63.77 1.03 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.901 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 675' ' ' LYS . . . . . . . . . . . . . 12.1 mtmm -55.76 -60.87 2.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 676' ' ' ASN . . . . . 0.4 ' O ' ' O ' ' A' ' 672' ' ' TYR . 9.7 m-80 -102.1 167.62 9.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.878 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 38.5 p -140.61 167.26 22.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.089 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 678' ' ' ILE . . . . . . . . . . . . . 16.6 mt -88.2 148.26 4.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.195 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 17.8 m -116.86 123.81 47.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.147 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 680' ' ' LEU . . . . . 0.909 HD23 ' O ' ' A' ' 680' ' ' LEU . 3.8 tt -131.88 98.47 4.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.949 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 681' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -101.03 140.55 35.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 682' ' ' VAL . . . . . . . . . . . . . 60.1 t -110.68 126.92 68.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.156 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 683' ' ' HIS . . . . . 0.641 ' NE2' ' CE1' ' A' ' 632' ' ' PHE . 7.4 p-80 -119.16 153.07 35.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 684' ' ' GLN . . . . . 0.62 ' HA ' HG22 ' A' ' 631' ' ' THR . 44.3 mt-30 -84.64 142.64 29.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.939 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -95.49 112.72 24.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.126 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 686' ' ' TYR . . . . . . . . . . . . . 38.5 m-85 -105.15 167.05 9.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.914 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 687' ' ' SER . . . . . . . . . . . . . 3.6 m -44.06 -65.08 0.55 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.836 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 688' ' ' THR . . . . . . . . . . . . . 11.7 t -132.77 37.83 3.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.154 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 689' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -139.98 166.52 24.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.867 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 690' ' ' TYR . . . . . . . . . . . . . 90.0 m-85 -154.1 117.18 4.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.875 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 691' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -147.34 147.29 30.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.841 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 692' ' ' THR . . . . . 0.548 ' HB ' HG21 ' A' ' 719' ' ' THR . 0.6 OUTLIER -93.2 145.8 24.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.153 -179.954 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 693' ' ' ILE . . . . . 0.435 HD13 ' HZ ' ' A' ' 726' ' ' PHE . 1.4 pp -134.42 1.3 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.155 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 694' ' ' ALA . . . . . 0.908 ' N ' HG23 ' A' ' 719' ' ' THR . . . -148.32 144.69 27.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.109 179.824 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 695' ' ' ALA . . . . . . . . . . . . . . . -157.53 139.93 14.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.082 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 696' ' ' CYS . . . . . . . . . . . . . 21.3 p -154.74 166.65 32.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 697' ' ' GLN . . . . . . . . . . . . . 64.3 mm-40 -117.07 110.11 17.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.923 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 698' ' ' LEU . . . . . . . . . . . . . 13.9 mt -75.56 133.8 40.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.934 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 699' ' ' LYS . . . . . . . . . . . . . 6.6 pttt -153.85 124.02 6.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.848 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 700' ' ' PHE . . . . . 0.63 ' O ' HG22 ' A' ' 703' ' ' ILE . 1.5 m-85 -99.23 125.27 44.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 701' ' ' HIS . . . . . . . . . . . . . 70.3 m-70 -89.3 -45.16 9.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.856 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 702' ' ' GLU . . . . . 0.515 ' CB ' HG21 ' A' ' 710' ' ' ILE . 6.5 mt-10 -56.81 -31.11 64.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 703' ' ' ILE . . . . . 0.721 HG21 HD13 ' A' ' 673' ' ' ILE . 10.9 tt -57.03 -11.65 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.137 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 704' ' ' LEU . . . . . . . . . . . . . 20.9 mt -86.92 -48.24 8.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 705' ' ' GLU . . . . . 0.477 ' CG ' ' HG2' ' A' ' 706' ' ' LYS . 15.3 pt-20 -79.66 -44.95 19.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.908 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 706' ' ' LYS . . . . . 0.477 ' HG2' ' CG ' ' A' ' 705' ' ' GLU . 13.9 ptpt -120.48 175.19 6.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 707' ' ' SER . . . . . 0.64 ' CB ' HG23 ' A' ' 598' ' ' ILE . 1.1 t -152.07 137.4 17.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.845 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 708' ' ' GLY . . . . . 0.403 ' O ' ' O ' ' A' ' 733' ' ' PHE . . . 109.82 -112.69 3.42 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.487 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 709' ' ' ARG . . . . . . . . . . . . . 5.8 tmm_? -69.94 84.09 0.49 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.788 0.327 . . . . 0.0 110.894 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 710' ' ' ILE . . . . . 0.515 HG21 ' CB ' ' A' ' 702' ' ' GLU . 12.0 mt -136.97 139.33 44.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.157 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 711' ' ' PHE . . . . . . . . . . . . . 46.7 m-85 -119.48 147.98 43.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 712' ' ' CYS . . . . . . . . . . . . . 5.3 t -163.37 162.82 25.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 713' ' ' THR . . . . . . . . . . . . . 28.6 p -130.14 170.75 13.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.095 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 714' ' ' ALA . . . . . . . . . . . . . . . -146.66 136.77 23.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.105 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 715' ' ' SER . . . . . . . . . . . . . 11.9 t -78.04 140.73 39.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.813 -179.745 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 716' ' ' LEU . . . . . 0.64 ' C ' HD12 ' A' ' 717' ' ' ILE . 7.3 mt -108.81 139.96 42.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.898 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 717' ' ' ILE . . . . . 0.64 HD12 ' C ' ' A' ' 716' ' ' LEU . 4.2 mp -136.02 142.99 37.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.102 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 718' ' ' GLY . . . . . 0.477 ' O ' ' N ' ' A' ' 721' ' ' GLY . . . -40.9 144.84 0.53 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.492 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 719' ' ' THR . . . . . 0.908 HG23 ' N ' ' A' ' 694' ' ' ALA . 0.8 OUTLIER -43.42 -39.07 3.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.81 0.338 . . . . 0.0 111.123 -179.835 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 720' ' ' LYS . . . . . 0.475 ' HD3' ' N ' ' A' ' 720' ' ' LYS . 0.0 OUTLIER -83.55 25.5 0.75 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.883 179.902 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 721' ' ' GLY . . . . . 0.477 ' N ' ' O ' ' A' ' 718' ' ' GLY . . . 33.74 53.39 0.65 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.49 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 722' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -131.01 -30.32 1.79 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.808 0.337 . . . . 0.0 110.854 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 723' ' ' ILE . . . . . 0.491 ' O ' HG23 ' A' ' 717' ' ' ILE . 77.4 mt -97.42 103.31 15.51 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.589 0.709 . . . . 0.0 111.118 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 724' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 723' ' ' ILE . 53.7 Cg_endo -69.74 -52.6 0.32 Allowed 'Trans proline' 0 N--CA 1.466 -0.145 0 C-N-CA 122.709 2.273 . . . . 0.0 112.356 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 725' ' ' ASN . . . . . . . . . . . . . 22.4 m-20 -73.97 81.21 1.69 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 726' ' ' PHE . . . . . 0.705 ' CZ ' ' HB2' ' A' ' 694' ' ' ALA . 2.3 t80 -114.11 -30.64 6.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.887 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 727' ' ' GLY . . . . . . . . . . . . . . . 140.98 168.33 11.38 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.501 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 728' ' ' THR . . . . . . . . . . . . . 24.6 m -116.03 148.84 39.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.843 0.354 . . . . 0.0 111.14 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 729' ' ' VAL . . . . . 0.419 ' O ' HG13 ' A' ' 729' ' ' VAL . 10.3 p -109.95 129.6 64.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.143 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -113.13 110.51 20.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 731' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -137.75 168.39 19.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.959 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 732' ' ' TRP . . . . . 0.47 ' NE1' ' HB3' ' A' ' 610' ' ' HIS . 48.6 p-90 -142.92 125.29 15.6 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.959 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 733' ' ' PHE . . . . . 0.626 ' CD1' ' CD2' ' A' ' 700' ' ' PHE . 49.4 p90 -110.5 165.07 12.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.884 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 734' ' ' ARG . . . . . 0.415 ' C ' ' HD3' ' A' ' 734' ' ' ARG . 0.4 OUTLIER -161.18 124.08 3.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 -179.896 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 735' ' ' LEU . . . . . . . . . . . . . 8.2 tp -131.19 104.7 7.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.939 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 736' ' ' ARG . . . . . 0.444 ' O ' ' C ' ' A' ' 737' ' ' VAL . 3.7 tpt180 -144.15 135.08 25.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.847 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 737' ' ' VAL . . . . . 0.444 ' C ' ' O ' ' A' ' 736' ' ' ARG . 4.0 p -33.75 134.39 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.121 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 738' ' ' SER . . . . . . . . . . . . . 11.7 p -97.85 113.73 25.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.865 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 739' ' ' GLY . . . . . . . . . . . . . . . 85.98 141.45 6.1 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.483 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 740' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -177.71 2.01 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.715 2.277 . . . . 0.0 112.304 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 2.6 m -160.98 162.53 31.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 24.3 p -94.23 138.44 32.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.859 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 743' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.484 179.981 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 588' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 3.1 m -138.78 173.57 11.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.885 0.374 . . . . 0.0 110.888 -179.779 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 590' ' ' SER . . . . . . . . . . . . . 19.8 m -155.6 174.17 15.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.876 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 591' ' ' GLY . . . . . . . . . . . . . . . -123.57 -165.7 12.36 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.479 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 3.3 m -161.48 158.95 27.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.87 0.367 . . . . 0.0 110.862 -179.728 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 8.7 t -120.02 -62.05 1.53 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.918 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 594' ' ' GLY . . . . . . . . . . . . . . . -161.21 162.92 34.09 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.478 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 595' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -163.32 173.4 13.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.758 0.313 . . . . 0.0 110.872 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 596' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -146.25 132.89 19.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 597' ' ' THR . . . . . . . . . . . . . 41.7 p -98.44 116.22 30.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.173 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 598' ' ' ILE . . . . . 0.468 ' O ' ' C ' ' A' ' 599' ' ' HIS . 27.3 mm -97.25 119.76 45.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.153 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 599' ' ' HIS . . . . . 0.468 ' C ' ' O ' ' A' ' 598' ' ' ILE . 43.1 m80 -33.25 144.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.873 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 600' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -98.89 165.51 11.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.937 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 601' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -111.09 160.95 16.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.927 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 602' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.05 166.48 23.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.845 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 603' ' ' GLY . . . . . . . . . . . . . . . 135.61 -139.84 11.11 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.45 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 604' ' ' GLU . . . . . 0.584 ' CD ' HD11 ' A' ' 662' ' ' LEU . 4.8 tt0 -47.99 165.97 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.843 0.354 . . . . 0.0 110.923 -179.861 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 605' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -134.48 130.5 36.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 606' ' ' LEU . . . . . 0.55 HD23 ' C ' ' A' ' 606' ' ' LEU . 6.6 tt -129.02 146.04 51.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 607' ' ' PHE . . . . . 0.459 ' N ' HD23 ' A' ' 606' ' ' LEU . 9.3 t80 -120.76 134.96 55.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 608' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -148.04 129.94 15.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.886 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 609' ' ' ILE . . . . . . . . . . . . . 59.5 mt -111.44 140.94 28.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.149 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 610' ' ' HIS . . . . . 0.569 ' CE1' ' HA ' ' A' ' 656' ' ' ASN . 8.5 t-80 -131.23 113.16 13.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.876 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 49.7 mm -79.32 106.52 10.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.158 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 612' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -60.86 -65.46 0.69 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 613' ' ' LYS . . . . . . . . . . . . . 16.0 ptmt -163.96 178.59 7.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.923 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 614' ' ' VAL . . . . . . . . . . . . . 79.1 t -129.24 117.91 44.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.11 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 615' ' ' THR . . . . . . . . . . . . . 66.2 m -93.71 133.5 37.0 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.173 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 616' ' ' PHE . . . . . 0.471 ' CD1' HG11 ' A' ' 620' ' ' VAL . 47.3 m-85 -101.63 166.01 10.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.847 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 617' ' ' SER . . . . . 0.495 ' CB ' ' O ' ' A' ' 725' ' ' ASN . 0.9 OUTLIER -103.71 161.11 14.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.889 -179.82 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 618' ' ' SER . . . . . . . . . . . . . 31.9 p -45.47 -41.43 9.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.813 -179.777 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 619' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -59.39 -43.16 92.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.901 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 620' ' ' VAL . . . . . 0.471 HG11 ' CD1' ' A' ' 616' ' ' PHE . 30.3 t -67.38 -39.34 82.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.146 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 621' ' ' LEU . . . . . 0.474 HD21 ' CE1' ' A' ' 652' ' ' HIS . 39.5 mt -67.06 -47.82 70.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.907 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 622' ' ' GLN . . . . . . . . . . . . . 35.5 mm-40 -70.97 -49.69 42.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.929 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -43.37 -40.94 3.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.096 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 15.5 m -64.63 -46.11 83.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 625' ' ' GLY . . . . . . . . . . . . . . . 91.47 -141.8 15.81 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.503 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 626' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -80.57 41.58 0.56 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.875 0.369 . . . . 0.0 110.835 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 13.3 ptpt -151.01 176.54 11.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.946 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -123.2 123.47 26.63 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.636 0.732 . . . . 0.0 110.882 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 629' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 145.8 58.24 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.725 2.284 . . . . 0.0 112.343 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 630' ' ' VAL . . . . . . . . . . . . . 13.2 t -122.81 112.68 35.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.114 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 631' ' ' THR . . . . . . . . . . . . . 34.4 p -139.07 178.67 7.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.152 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 632' ' ' PHE . . . . . 0.651 ' O ' HG13 ' A' ' 682' ' ' VAL . 35.7 p90 -146.07 174.43 11.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 633' ' ' CYS . . . . . . . . . . . . . 61.6 m -117.16 151.13 37.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 634' ' ' THR . . . . . 0.672 ' HB ' HD11 ' A' ' 642' ' ' LEU . 23.3 p -150.01 124.43 9.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.09 -179.856 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 635' ' ' TYR . . . . . 0.448 ' CD1' HD12 ' A' ' 680' ' ' LEU . 28.8 p90 -152.88 177.74 10.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 636' ' ' ALA . . . . . 0.671 ' HB2' HD22 ' A' ' 642' ' ' LEU . . . -149.4 149.26 30.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.101 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 637' ' ' PHE . . . . . 0.508 ' O ' ' N ' ' A' ' 640' ' ' PHE . 78.1 t80 -115.07 156.04 25.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.91 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 638' ' ' TYR . . . . . 0.477 ' C ' ' O ' ' A' ' 637' ' ' PHE . 12.8 t80 31.6 38.37 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 -179.865 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 639' ' ' ASP . . . . . 0.478 ' N ' ' O ' ' A' ' 637' ' ' PHE . 34.0 t70 58.65 50.27 9.18 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.885 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 640' ' ' PHE . . . . . 0.508 ' N ' ' O ' ' A' ' 637' ' ' PHE . 4.2 m-85 -99.0 173.13 6.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.913 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -56.38 116.63 3.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 642' ' ' LEU . . . . . 0.672 HD11 ' HB ' ' A' ' 634' ' ' THR . 0.4 OUTLIER -50.95 113.11 0.83 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.892 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 643' ' ' GLN . . . . . . . . . . . . . 4.7 tp60 -82.33 147.65 28.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 644' ' ' THR . . . . . . . . . . . . . 28.9 m -116.13 111.37 20.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.12 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 645' ' ' THR . . . . . . . . . . . . . 60.7 p -70.48 153.65 94.92 Favored Pre-proline 0 C--N 1.33 -0.283 0 CA-C-O 121.545 0.688 . . . . 0.0 111.152 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 646' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.7 125.04 11.71 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.648 2.232 . . . . 0.0 112.33 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 647' ' ' VAL . . . . . . . . . . . . . 60.2 t -68.04 122.42 19.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.123 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 39.1 t -121.74 130.88 74.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.07 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 649' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -93.58 135.81 34.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.899 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 650' ' ' GLY . . . . . 0.41 ' O ' ' HG ' ' A' ' 651' ' ' LEU . . . 149.42 -132.57 4.1 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.507 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 651' ' ' LEU . . . . . 0.41 ' HG ' ' O ' ' A' ' 650' ' ' GLY . 7.3 mt -159.78 104.99 1.58 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.826 0.346 . . . . 0.0 110.949 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 652' ' ' HIS . . . . . 0.522 ' N ' ' CD ' ' A' ' 653' ' ' PRO . 9.1 m80 74.76 49.78 0.21 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.583 0.706 . . . . 0.0 110.882 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 653' ' ' PRO . . . . . 0.522 ' CD ' ' N ' ' A' ' 652' ' ' HIS . 53.7 Cg_endo -69.75 174.42 9.52 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.702 2.268 . . . . 0.0 112.351 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 63.9 mt-10 -120.9 80.49 1.64 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.944 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 655' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -51.35 -55.98 15.53 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.915 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 656' ' ' ASN . . . . . 0.569 ' HA ' ' CE1' ' A' ' 610' ' ' HIS . 4.2 m120 60.02 44.2 13.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.903 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 657' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -88.77 151.98 22.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.891 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 55.8 m -134.55 149.08 50.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.147 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 89.3 p -132.25 153.74 50.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.821 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -132.24 130.47 40.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.895 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 661' ' ' TYR . . . . . . . . . . . . . 75.7 m-85 -153.91 122.02 6.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 662' ' ' LEU . . . . . 0.584 HD11 ' CD ' ' A' ' 604' ' ' GLU . 0.3 OUTLIER -89.65 118.01 28.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.932 179.933 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 663' ' ' VAL . . . . . 0.533 HG23 ' O ' ' A' ' 663' ' ' VAL . 28.8 m -133.28 114.25 20.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.124 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 664' ' ' HIS . . . . . 0.56 ' O ' HG13 ' A' ' 665' ' ' VAL . 22.5 p-80 -93.78 98.17 10.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.879 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 665' ' ' VAL . . . . . 0.704 HG23 ' HD2' ' A' ' 669' ' ' PHE . 4.8 m -159.7 152.08 5.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.128 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 666' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -115.82 -66.59 1.07 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 667' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -74.91 -63.23 1.3 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 668' ' ' LEU . . . . . 0.474 ' H ' HD12 ' A' ' 668' ' ' LEU . 9.1 mp -40.39 -38.37 0.81 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.905 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 669' ' ' PHE . . . . . 0.704 ' HD2' HG23 ' A' ' 665' ' ' VAL . 1.9 t80 -47.84 -55.44 9.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.925 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 670' ' ' LEU . . . . . . . . . . . . . 50.9 mt -71.01 -51.18 26.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.898 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 671' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -42.92 -49.96 5.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.918 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 672' ' ' TYR . . . . . 0.44 ' CD1' ' C ' ' A' ' 672' ' ' TYR . 0.9 OUTLIER -59.46 -41.83 90.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.929 -179.885 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 673' ' ' ILE . . . . . 0.589 HD13 HG21 ' A' ' 703' ' ' ILE . 88.7 mt -61.53 -61.07 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.135 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 674' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -58.19 -45.8 86.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.932 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 675' ' ' LYS . . . . . . . . . . . . . 81.5 mttt -67.09 -68.92 0.34 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.938 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 676' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -100.23 151.69 21.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 61.3 p -121.24 168.35 11.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.113 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 678' ' ' ILE . . . . . . . . . . . . . 5.3 mp -87.81 116.47 29.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.118 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 679' ' ' THR . . . . . 0.6 HG22 ' OE1' ' A' ' 681' ' ' GLU . 11.5 m -87.61 104.62 16.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.173 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 680' ' ' LEU . . . . . 0.611 HD23 ' O ' ' A' ' 680' ' ' LEU . 7.0 tt -115.84 108.15 15.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.886 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 681' ' ' GLU . . . . . 0.6 ' OE1' HG22 ' A' ' 679' ' ' THR . 3.0 mp0 -112.28 135.84 52.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 682' ' ' VAL . . . . . 0.651 HG13 ' O ' ' A' ' 632' ' ' PHE . 95.8 t -99.12 99.43 8.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.144 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 683' ' ' HIS . . . . . . . . . . . . . 4.3 m170 -90.86 141.58 28.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.799 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 684' ' ' GLN . . . . . 0.527 ' HB3' ' CZ ' ' A' ' 686' ' ' TYR . 14.9 tt0 -91.23 146.78 23.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -98.36 113.6 25.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.088 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 686' ' ' TYR . . . . . 0.527 ' CZ ' ' HB3' ' A' ' 684' ' ' GLN . 1.0 OUTLIER -107.6 168.78 9.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.959 -179.879 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 687' ' ' SER . . . . . . . . . . . . . 29.2 p -40.33 94.52 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.842 -179.79 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 688' ' ' THR . . . . . 0.452 ' N ' ' O ' ' A' ' 686' ' ' TYR . 69.2 p 50.1 44.03 25.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.171 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 689' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -142.79 165.96 25.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.89 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 690' ' ' TYR . . . . . . . . . . . . . 33.6 m-85 -152.42 121.65 6.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.926 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 691' ' ' GLU . . . . . 0.421 ' HG2' ' N ' ' A' ' 692' ' ' THR . 26.4 tt0 -149.16 153.44 37.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.854 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 692' ' ' THR . . . . . 0.421 ' N ' ' HG2' ' A' ' 691' ' ' GLU . 94.4 m -82.78 140.9 32.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.141 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 693' ' ' ILE . . . . . 0.486 HG13 ' N ' ' A' ' 694' ' ' ALA . 26.1 pt -130.92 -31.31 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.139 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 694' ' ' ALA . . . . . 0.486 ' N ' HG13 ' A' ' 693' ' ' ILE . . . -131.29 139.5 49.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.085 179.804 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 695' ' ' ALA . . . . . . . . . . . . . . . -145.81 136.65 24.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.14 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 696' ' ' CYS . . . . . . . . . . . . . 31.0 p -151.58 155.44 38.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 697' ' ' GLN . . . . . . . . . . . . . 7.0 mm100 -103.79 108.65 20.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.906 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 698' ' ' LEU . . . . . 0.666 HD22 ' CE2' ' A' ' 731' ' ' TYR . 87.8 mt -84.5 128.1 34.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 699' ' ' LYS . . . . . . . . . . . . . 9.7 ptpt -152.79 136.26 15.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 179.809 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 700' ' ' PHE . . . . . 0.717 ' CD1' ' CD1' ' A' ' 733' ' ' PHE . 10.3 m-85 -99.98 125.78 46.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.882 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 701' ' ' HIS . . . . . . . . . . . . . 17.3 m-70 -91.9 -51.16 5.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 702' ' ' GLU . . . . . 0.637 ' CB ' HG21 ' A' ' 710' ' ' ILE . 2.5 mp0 -48.14 -44.74 32.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 703' ' ' ILE . . . . . 0.589 HG21 HD13 ' A' ' 673' ' ' ILE . 12.8 tt -46.01 -25.33 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.163 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 704' ' ' LEU . . . . . . . . . . . . . 38.3 mt -66.3 -40.53 90.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.921 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 705' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -98.09 -58.53 1.96 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.911 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 706' ' ' LYS . . . . . . . . . . . . . 28.2 mtpt -82.63 176.34 9.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.915 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 707' ' ' SER . . . . . . . . . . . . . 58.5 m -149.62 106.41 3.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.824 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 708' ' ' GLY . . . . . . . . . . . . . . . 141.12 -150.0 21.47 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.448 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 709' ' ' ARG . . . . . 0.447 ' C ' HG13 ' A' ' 710' ' ' ILE . 24.3 ptt-85 -65.82 120.36 12.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.805 0.336 . . . . 0.0 110.869 -179.837 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 710' ' ' ILE . . . . . 0.637 HG21 ' CB ' ' A' ' 702' ' ' GLU . 26.7 mt -144.51 106.54 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.118 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 711' ' ' PHE . . . . . . . . . . . . . 17.0 m-85 -57.85 140.97 50.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 712' ' ' CYS . . . . . . . . . . . . . 5.4 t -164.04 166.29 21.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.932 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 713' ' ' THR . . . . . . . . . . . . . 21.3 p -147.38 170.83 16.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.128 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 714' ' ' ALA . . . . . . . . . . . . . . . -145.22 148.63 33.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.126 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 715' ' ' SER . . . . . . . . . . . . . 60.4 p -88.62 156.48 19.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.853 -179.761 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 716' ' ' LEU . . . . . . . . . . . . . 8.9 mt -124.99 139.34 53.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 717' ' ' ILE . . . . . . . . . . . . . 4.9 mp -125.82 142.98 40.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.163 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 718' ' ' GLY . . . . . . . . . . . . . . . -74.58 135.46 19.42 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.457 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 719' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -81.27 -45.52 16.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.831 0.348 . . . . 0.0 111.146 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 720' ' ' LYS . . . . . 0.497 ' HD2' ' N ' ' A' ' 720' ' ' LYS . 4.7 mmmm -99.15 -41.66 7.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.902 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 721' ' ' GLY . . . . . . . . . . . . . . . -71.51 -22.87 78.59 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.504 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 722' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 62.8 45.81 5.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.827 0.346 . . . . 0.0 110.914 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 723' ' ' ILE . . . . . . . . . . . . . 64.0 mt -103.54 106.5 52.3 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.638 0.732 . . . . 0.0 111.122 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 724' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -30.35 22.61 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.705 2.27 . . . . 0.0 112.344 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 725' ' ' ASN . . . . . 0.495 ' O ' ' CB ' ' A' ' 617' ' ' SER . 77.5 m-20 -101.03 41.03 1.21 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.831 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 726' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -55.55 -48.99 73.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.875 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 727' ' ' GLY . . . . . . . . . . . . . . . 160.77 -170.65 36.72 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.502 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 728' ' ' THR . . . . . . . . . . . . . 15.9 m -131.09 149.18 52.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.776 0.322 . . . . 0.0 111.187 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 729' ' ' VAL . . . . . . . . . . . . . 7.5 p -104.69 139.15 26.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.141 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -106.58 112.15 25.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.915 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 731' ' ' TYR . . . . . 0.666 ' CE2' HD22 ' A' ' 698' ' ' LEU . 10.5 p90 -143.72 174.52 10.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.902 -179.851 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 732' ' ' TRP . . . . . 0.522 ' CE2' ' HB3' ' A' ' 610' ' ' HIS . 61.4 p-90 -157.21 136.0 11.59 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.938 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 733' ' ' PHE . . . . . 0.717 ' CD1' ' CD1' ' A' ' 700' ' ' PHE . 14.3 p90 -112.41 135.02 53.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.887 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 734' ' ' ARG . . . . . . . . . . . . . 16.9 ttm180 -129.63 112.37 13.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.892 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 735' ' ' LEU . . . . . . . . . . . . . 18.5 tp -111.55 105.04 13.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.91 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 736' ' ' ARG . . . . . 0.536 ' HD3' HG12 ' A' ' 737' ' ' VAL . 1.8 tmt_? -147.13 145.69 29.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 737' ' ' VAL . . . . . 0.536 HG12 ' HD3' ' A' ' 736' ' ' ARG . 14.5 p -35.04 144.67 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.112 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 738' ' ' SER . . . . . . . . . . . . . 33.3 t -140.98 134.43 29.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 739' ' ' GLY . . . . . . . . . . . . . . . -76.76 115.13 4.28 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.462 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 740' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -173.05 0.65 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.634 2.223 . . . . 0.0 112.322 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 37.2 t -75.76 148.64 38.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.84 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 15.9 t -98.95 -50.14 4.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.849 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 743' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.484 -180.0 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 588' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 24.1 m -53.66 158.69 1.8 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.866 0.365 . . . . 0.0 110.865 -179.75 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 590' ' ' SER . . . . . . . . . . . . . 68.3 m -121.77 143.37 49.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.869 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 591' ' ' GLY . . . . . . . . . . . . . . . 170.36 -97.88 0.13 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.533 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 1.6 t -48.09 113.9 0.83 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.911 0.386 . . . . 0.0 110.824 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 24.5 m -45.49 -62.41 1.29 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.848 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 594' ' ' GLY . . . . . . . . . . . . . . . 79.58 -154.61 38.38 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.507 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 595' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -84.79 109.67 18.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.767 0.318 . . . . 0.0 110.864 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 596' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -153.0 128.39 9.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 597' ' ' THR . . . . . . . . . . . . . 81.8 p -121.96 124.83 44.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.175 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 598' ' ' ILE . . . . . . . . . . . . . 49.5 mm -51.75 -56.45 5.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.099 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 599' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -132.0 121.1 23.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 600' ' ' LEU . . . . . . . . . . . . . 8.1 mp -67.04 157.03 34.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.893 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 601' ' ' GLU . . . . . 0.806 ' OE2' HG21 ' A' ' 737' ' ' VAL . 6.4 pt-20 -80.93 145.16 31.4 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.898 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 602' ' ' ARG . . . . . 0.435 ' C ' ' CD ' ' A' ' 602' ' ' ARG . 3.1 ppt_? -84.58 26.05 0.84 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.866 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 603' ' ' GLY . . . . . . . . . . . . . . . -76.71 -101.6 0.15 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.473 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 604' ' ' GLU . . . . . 0.473 ' O ' HG23 ' A' ' 737' ' ' VAL . 0.9 OUTLIER -127.18 170.89 11.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.854 0.359 . . . . 0.0 110.895 -179.873 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 605' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -140.13 160.72 39.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 606' ' ' LEU . . . . . . . . . . . . . 9.9 tp -140.26 112.82 7.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.938 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 607' ' ' PHE . . . . . 0.578 ' CD2' ' CZ ' ' A' ' 669' ' ' PHE . 4.2 t80 -117.36 127.74 54.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 608' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -149.2 158.19 43.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 609' ' ' ILE . . . . . . . . . . . . . 42.3 mt -132.39 138.27 52.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.128 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 610' ' ' HIS . . . . . 0.439 ' CD2' ' HE1' ' A' ' 732' ' ' TRP . 4.5 t60 -125.96 128.88 48.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.831 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 41.8 mm -103.55 99.19 7.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.163 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 612' ' ' ASN . . . . . 0.438 ' ND2' ' NE2' ' A' ' 610' ' ' HIS . 1.1 m120 -60.78 -67.88 0.36 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.879 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 613' ' ' LYS . . . . . . . . . . . . . 21.7 pttm -158.31 170.45 22.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 614' ' ' VAL . . . . . 0.486 ' O ' HG13 ' A' ' 614' ' ' VAL . 9.8 p -122.58 125.32 72.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.148 179.857 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 615' ' ' THR . . . . . . . . . . . . . 5.4 m -94.93 143.66 26.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.197 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 616' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -116.02 166.91 11.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.85 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -106.97 156.02 19.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.824 -179.786 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 618' ' ' SER . . . . . 0.415 ' HA ' HD12 ' A' ' 621' ' ' LEU . 14.5 m -41.18 -59.93 1.38 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.837 -179.849 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 619' ' ' GLU . . . . . 0.619 ' OE1' HG23 ' A' ' 723' ' ' ILE . 39.4 tt0 -38.58 -46.67 1.22 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.855 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 620' ' ' VAL . . . . . . . . . . . . . 9.3 t -74.21 -47.02 42.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.085 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 621' ' ' LEU . . . . . 0.415 HD12 ' HA ' ' A' ' 618' ' ' SER . 84.8 mt -48.72 -43.93 37.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 622' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -71.8 -45.44 61.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.925 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -43.99 -51.39 7.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.065 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 57.9 m -79.74 -53.88 6.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.829 -179.745 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 625' ' ' GLY . . . . . . . . . . . . . . . 118.9 -164.38 13.08 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.509 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 626' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -85.66 46.04 1.27 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.913 0.387 . . . . 0.0 110.891 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 13.2 mmmt -121.88 -175.51 3.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.926 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 628' ' ' GLU . . . . . 0.467 ' HB3' ' N ' ' A' ' 650' ' ' GLY . 49.9 mt-10 -102.78 96.36 7.58 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.653 0.74 . . . . 0.0 110.879 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 629' ' ' PRO . . . . . 0.451 ' HG3' HD23 ' A' ' 651' ' ' LEU . 54.0 Cg_endo -69.71 108.96 2.18 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.714 2.276 . . . . 0.0 112.328 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 630' ' ' VAL . . . . . 0.855 HG22 ' HB3' ' A' ' 649' ' ' ARG . 1.7 t -82.07 123.87 38.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.111 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 631' ' ' THR . . . . . . . . . . . . . 48.5 p -125.78 178.06 5.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.152 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 632' ' ' PHE . . . . . 0.615 ' CD2' HG22 ' A' ' 647' ' ' VAL . 0.7 OUTLIER -145.74 147.5 31.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 633' ' ' CYS . . . . . 0.539 ' O ' HG23 ' A' ' 645' ' ' THR . 63.8 m -129.46 144.28 51.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.854 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 634' ' ' THR . . . . . 0.829 ' HB ' HD11 ' A' ' 642' ' ' LEU . 18.4 p -154.94 146.9 23.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.129 -179.882 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 635' ' ' TYR . . . . . 0.408 ' CD2' HD12 ' A' ' 680' ' ' LEU . 32.1 p90 -175.03 150.2 1.18 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 -179.854 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 636' ' ' ALA . . . . . . . . . . . . . . . -109.4 138.26 46.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.109 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 637' ' ' PHE . . . . . 0.501 ' CE1' ' HB2' ' A' ' 638' ' ' TYR . 3.2 t80 -111.79 146.92 36.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.919 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 638' ' ' TYR . . . . . 0.501 ' HB2' ' CE1' ' A' ' 637' ' ' PHE . 9.1 t80 40.03 31.41 0.09 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 -179.838 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 639' ' ' ASP . . . . . . . . . . . . . 4.6 t0 62.73 44.8 6.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.847 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 640' ' ' PHE . . . . . 0.444 ' CD2' ' HB3' ' A' ' 638' ' ' TYR . 17.7 m-85 -103.87 179.18 4.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -53.98 131.82 41.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.909 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 642' ' ' LEU . . . . . 0.829 HD11 ' HB ' ' A' ' 634' ' ' THR . 0.8 OUTLIER -47.58 126.13 9.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 643' ' ' GLN . . . . . 0.511 ' N ' HD13 ' A' ' 642' ' ' LEU . 3.1 tp60 -82.57 152.15 26.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.939 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 644' ' ' THR . . . . . . . . . . . . . 1.9 m -134.54 148.62 50.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.135 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 645' ' ' THR . . . . . 0.539 HG23 ' O ' ' A' ' 633' ' ' CYS . 0.4 OUTLIER -120.72 154.06 57.1 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.606 0.717 . . . . 0.0 111.117 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 646' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 129.14 17.13 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.672 2.248 . . . . 0.0 112.345 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 647' ' ' VAL . . . . . 0.615 HG22 ' CD2' ' A' ' 632' ' ' PHE . 97.2 t -68.42 116.45 8.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.119 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 648' ' ' VAL . . . . . 0.459 ' CG2' ' CE2' ' A' ' 655' ' ' TYR . 2.7 m -128.39 121.81 56.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.142 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 649' ' ' ARG . . . . . 0.855 ' HB3' HG22 ' A' ' 630' ' ' VAL . 9.5 ptp85 -84.61 134.96 34.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.847 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 650' ' ' GLY . . . . . 0.467 ' N ' ' HB3' ' A' ' 628' ' ' GLU . . . 150.76 165.22 12.56 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.518 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 651' ' ' LEU . . . . . 0.451 HD23 ' HG3' ' A' ' 629' ' ' PRO . 74.1 mt -77.44 -58.47 3.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.867 0.365 . . . . 0.0 110.949 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 652' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 -119.29 58.92 4.59 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-O 121.627 0.727 . . . . 0.0 110.885 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 653' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.75 165.31 31.4 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.687 2.258 . . . . 0.0 112.361 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -117.42 85.26 2.3 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 655' ' ' TYR . . . . . 0.459 ' CE2' ' CG2' ' A' ' 648' ' ' VAL . 77.9 m-85 -50.69 -49.87 56.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 -179.83 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 63.4 m-20 57.92 44.54 19.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.882 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 657' ' ' PHE . . . . . . . . . . . . . 83.6 t80 -92.21 107.51 19.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 17.8 m -118.4 127.73 53.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.157 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 47.7 m -151.67 115.36 4.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.858 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 660' ' ' GLN . . . . . 0.439 ' OE1' ' C ' ' A' ' 660' ' ' GLN . 0.1 OUTLIER -116.13 158.66 22.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.881 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 661' ' ' TYR . . . . . 0.433 ' CD1' ' C ' ' A' ' 660' ' ' GLN . 47.0 m-85 -152.06 139.79 19.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 -179.848 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 662' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.39 110.12 6.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.926 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 663' ' ' VAL . . . . . 0.601 HG23 ' O ' ' A' ' 663' ' ' VAL . 26.0 m -117.54 115.14 47.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.106 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 664' ' ' HIS . . . . . . . . . . . . . 3.2 m80 -83.28 104.63 13.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.823 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 665' ' ' VAL . . . . . 0.56 HG22 ' N ' ' A' ' 666' ' ' ASN . 12.7 p -146.46 164.51 8.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.094 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 666' ' ' ASN . . . . . 0.56 ' N ' HG22 ' A' ' 665' ' ' VAL . 3.7 t-20 -116.13 -176.02 2.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 667' ' ' ASP . . . . . 0.451 ' C ' ' O ' ' A' ' 666' ' ' ASN . 8.5 m-20 -34.03 -36.48 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.841 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 668' ' ' LEU . . . . . 0.551 ' H ' HD12 ' A' ' 668' ' ' LEU . 6.0 mp -38.05 -48.03 1.17 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.936 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 669' ' ' PHE . . . . . 0.578 ' CZ ' ' CD2' ' A' ' 607' ' ' PHE . 12.1 t80 -41.74 -51.79 4.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.892 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 670' ' ' LEU . . . . . 0.583 HD22 ' HA ' ' A' ' 704' ' ' LEU . 86.9 mt -45.3 -55.09 6.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.942 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 671' ' ' GLN . . . . . 0.416 ' O ' ' C ' ' A' ' 672' ' ' TYR . 0.3 OUTLIER -45.29 -59.13 2.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 672' ' ' TYR . . . . . 0.51 ' C ' ' CD1' ' A' ' 672' ' ' TYR . 0.5 OUTLIER -37.34 -41.43 0.42 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 -179.841 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 673' ' ' ILE . . . . . 0.663 ' CD1' HD12 ' A' ' 703' ' ' ILE . 17.7 mt -64.96 -48.41 84.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.136 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 674' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -59.77 -49.24 78.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.926 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 675' ' ' LYS . . . . . . . . . . . . . 73.1 mttt -76.82 -65.49 0.94 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 676' ' ' ASN . . . . . 0.424 ' N ' ' O ' ' A' ' 672' ' ' TYR . 6.3 m-20 -93.37 159.65 15.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.905 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 7.2 p -139.32 165.86 26.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.147 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 678' ' ' ILE . . . . . 0.459 ' N ' HD12 ' A' ' 678' ' ' ILE . 4.8 mp -88.27 118.3 33.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.134 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 96.6 m -99.9 101.43 12.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.192 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 680' ' ' LEU . . . . . 0.497 HD23 ' O ' ' A' ' 680' ' ' LEU . 8.3 tt -102.43 109.86 21.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.945 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 681' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -93.81 133.14 37.52 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 682' ' ' VAL . . . . . . . . . . . . . 78.5 t -101.49 103.0 14.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.136 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 683' ' ' HIS . . . . . 0.597 ' CD2' ' HB3' ' A' ' 632' ' ' PHE . 2.2 p-80 -103.57 157.05 17.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.828 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 684' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -90.17 122.4 33.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.911 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -86.48 109.14 18.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.092 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 686' ' ' TYR . . . . . 0.446 ' O ' ' C ' ' A' ' 687' ' ' SER . 33.9 m-85 -96.48 168.92 10.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.927 -179.883 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 687' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 686' ' ' TYR . 8.9 m -34.89 -62.65 0.36 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.854 -179.862 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 688' ' ' THR . . . . . . . . . . . . . 26.2 p -134.6 29.52 3.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.12 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 689' ' ' GLU . . . . . 0.596 ' C ' ' CD1' ' A' ' 690' ' ' TYR . 2.2 tp10 -142.08 154.15 44.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 690' ' ' TYR . . . . . 0.596 ' CD1' ' C ' ' A' ' 689' ' ' GLU . 1.0 OUTLIER -143.53 117.8 9.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.913 -179.877 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 691' ' ' GLU . . . . . 0.46 ' HG3' ' N ' ' A' ' 692' ' ' THR . 5.2 tp10 -131.72 153.58 49.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.926 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 692' ' ' THR . . . . . 0.46 ' N ' ' HG3' ' A' ' 691' ' ' GLU . 10.8 m -90.25 122.21 32.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.153 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 693' ' ' ILE . . . . . . . . . . . . . 6.3 pt -108.26 -26.83 3.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.147 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 694' ' ' ALA . . . . . 0.581 ' HA ' HG23 ' A' ' 719' ' ' THR . . . -139.25 159.82 41.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.142 179.813 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 695' ' ' ALA . . . . . . . . . . . . . . . -156.37 139.56 15.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.093 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 696' ' ' CYS . . . . . . . . . . . . . 21.5 p -144.33 168.22 20.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 697' ' ' GLN . . . . . . . . . . . . . 32.5 mm-40 -120.1 110.65 16.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.884 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 698' ' ' LEU . . . . . . . . . . . . . 50.4 mt -79.93 129.43 34.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.911 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 699' ' ' LYS . . . . . . . . . . . . . 7.2 ptpp? -148.8 135.62 19.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.917 179.816 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 700' ' ' PHE . . . . . 0.8 ' CD1' ' CE1' ' A' ' 733' ' ' PHE . 8.5 m-85 -113.06 126.36 55.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 701' ' ' HIS . . . . . . . . . . . . . 30.4 m-70 -91.32 -56.65 3.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.881 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 702' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -55.85 -35.73 66.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.912 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 703' ' ' ILE . . . . . 0.678 HD13 ' O ' ' A' ' 703' ' ' ILE . 0.0 OUTLIER -46.65 -20.65 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.14 179.913 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 704' ' ' LEU . . . . . 0.655 HD22 HG23 ' A' ' 703' ' ' ILE . 4.2 mm? -79.64 -50.55 10.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 705' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -72.76 -44.59 61.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.897 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 706' ' ' LYS . . . . . . . . . . . . . 53.2 mtmt -94.61 -179.61 4.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.912 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 707' ' ' SER . . . . . . . . . . . . . 77.4 p -152.89 105.24 2.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.872 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 708' ' ' GLY . . . . . . . . . . . . . . . 138.71 -148.3 19.85 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.525 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 709' ' ' ARG . . . . . 0.403 ' HD2' ' C ' ' A' ' 709' ' ' ARG . 7.4 tmm_? -70.19 118.34 12.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.803 0.335 . . . . 0.0 110.863 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 710' ' ' ILE . . . . . . . . . . . . . 19.3 mt -139.03 109.86 4.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.123 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 711' ' ' PHE . . . . . . . . . . . . . 30.6 m-85 -52.39 138.99 25.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 712' ' ' CYS . . . . . . . . . . . . . 20.9 m -161.2 160.99 30.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 713' ' ' THR . . . . . . . . . . . . . 19.0 p -143.21 166.45 24.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.172 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 714' ' ' ALA . . . . . . . . . . . . . . . -146.53 149.43 33.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.099 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 715' ' ' SER . . . . . . . . . . . . . 2.9 t -95.26 153.59 17.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 -179.785 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 716' ' ' LEU . . . . . . . . . . . . . 18.6 mt -115.43 139.4 50.06 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 717' ' ' ILE . . . . . . . . . . . . . 4.6 mp -120.35 149.04 23.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.16 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 718' ' ' GLY . . . . . . . . . . . . . . . -78.8 139.64 22.37 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.439 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 719' ' ' THR . . . . . 0.581 HG23 ' HA ' ' A' ' 694' ' ' ALA . 50.9 p -87.49 -53.46 4.8 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.891 0.377 . . . . 0.0 111.141 -179.885 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 720' ' ' LYS . . . . . . . . . . . . . 9.1 mmpt? -64.13 -41.62 97.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 721' ' ' GLY . . . . . . . . . . . . . . . -109.84 -149.7 12.8 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.479 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 722' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -134.76 64.8 1.58 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.828 0.346 . . . . 0.0 110.888 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 723' ' ' ILE . . . . . 0.619 HG23 ' OE1' ' A' ' 619' ' ' GLU . 54.7 mt -106.72 106.36 57.67 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.611 0.72 . . . . 0.0 111.157 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 724' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -51.15 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.701 2.267 . . . . 0.0 112.355 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 725' ' ' ASN . . . . . . . . . . . . . 41.5 m-20 -88.79 43.18 1.12 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 726' ' ' PHE . . . . . . . . . . . . . 16.1 t80 -56.36 -35.89 68.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 727' ' ' GLY . . . . . . . . . . . . . . . 165.76 162.5 17.2 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.496 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 728' ' ' THR . . . . . . . . . . . . . 4.4 m -111.57 152.57 27.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.845 0.355 . . . . 0.0 111.11 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 729' ' ' VAL . . . . . 0.432 ' O ' HG13 ' A' ' 729' ' ' VAL . 14.0 p -116.76 127.69 74.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.073 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -100.77 122.47 43.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.927 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 731' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -162.01 176.07 11.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 -179.869 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 732' ' ' TRP . . . . . 0.439 ' HE1' ' CD2' ' A' ' 610' ' ' HIS . 64.6 p-90 -156.03 144.4 20.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.96 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 733' ' ' PHE . . . . . 0.8 ' CE1' ' CD1' ' A' ' 700' ' ' PHE . 13.3 p90 -114.03 172.68 6.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.905 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 734' ' ' ARG . . . . . . . . . . . . . 33.4 ttm-85 -164.09 120.61 1.64 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.845 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 735' ' ' LEU . . . . . 0.464 ' HB2' ' CD2' ' A' ' 607' ' ' PHE . 19.3 tp -131.47 104.77 7.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 736' ' ' ARG . . . . . . . . . . . . . 4.7 mmt85 -152.57 165.31 35.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 737' ' ' VAL . . . . . 0.806 HG21 ' OE2' ' A' ' 601' ' ' GLU . 9.5 p -67.29 128.74 31.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.145 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 738' ' ' SER . . . . . . . . . . . . . 18.7 t -95.49 144.12 26.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 739' ' ' GLY . . . . . 0.425 ' HA2' ' HD2' ' A' ' 740' ' ' PRO . . . 86.37 104.07 0.77 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.495 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 740' ' ' PRO . . . . . 0.425 ' HD2' ' HA2' ' A' ' 739' ' ' GLY . 53.6 Cg_endo -69.78 126.25 13.08 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.654 2.236 . . . . 0.0 112.311 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 56.8 m -72.53 104.26 3.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.827 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 15.3 m -57.41 -52.22 66.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 743' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.51 180.0 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 588' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.521 -0.232 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 3.0 t -86.14 158.72 19.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.838 0.351 . . . . 0.0 110.837 -179.715 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 590' ' ' SER . . . . . . . . . . . . . 9.8 t 68.48 42.45 1.57 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.908 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 591' ' ' GLY . . . . . . . . . . . . . . . 169.44 69.01 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.469 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 54.1 p -81.63 172.37 13.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.883 0.373 . . . . 0.0 110.859 -179.763 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 27.8 p -167.18 176.33 6.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.849 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 594' ' ' GLY . . . . . . . . . . . . . . . -150.28 -174.56 21.56 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.492 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 595' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -122.47 132.42 54.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.79 0.329 . . . . 0.0 110.842 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 596' ' ' GLU . . . . . . . . . . . . . 70.6 mm-40 -106.34 80.86 1.54 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.856 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 597' ' ' THR . . . . . . . . . . . . . 33.6 p -142.12 110.27 5.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.158 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 598' ' ' ILE . . . . . 0.773 ' H ' HD12 ' A' ' 598' ' ' ILE . 2.9 mp -76.04 -54.64 13.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.154 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 599' ' ' HIS . . . . . . . . . . . . . 10.0 p80 -118.0 178.32 4.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.855 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 600' ' ' LEU . . . . . . . . . . . . . 7.9 mt -140.69 179.18 6.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.946 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 601' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -79.74 -174.87 4.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.869 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 602' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.26 161.72 19.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.872 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 603' ' ' GLY . . . . . . . . . . . . . . . 141.64 -109.8 0.61 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.467 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 604' ' ' GLU . . . . . 0.614 ' OE1' HD21 ' A' ' 662' ' ' LEU . 25.3 mt-10 -119.32 166.04 13.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.867 0.365 . . . . 0.0 110.867 -179.871 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 605' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -124.95 156.82 37.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.873 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 606' ' ' LEU . . . . . 0.505 HD23 HH21 ' A' ' 734' ' ' ARG . 14.6 tp -142.77 111.69 6.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.891 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 607' ' ' PHE . . . . . 0.454 ' CD2' ' CZ ' ' A' ' 637' ' ' PHE . 9.2 t80 -104.87 115.76 30.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.936 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 608' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -124.9 138.32 54.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 609' ' ' ILE . . . . . . . . . . . . . 35.6 mt -123.14 128.59 75.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.104 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 610' ' ' HIS . . . . . 0.508 ' C ' ' CD2' ' A' ' 610' ' ' HIS . 0.9 OUTLIER -122.57 133.37 54.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.823 179.904 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 25.8 mm -102.16 122.44 54.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.089 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 612' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -69.4 -67.82 0.45 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 613' ' ' LYS . . . . . . . . . . . . . 36.5 pttt -170.3 178.89 3.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 614' ' ' VAL . . . . . . . . . . . . . 92.1 t -129.97 115.5 33.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.13 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 615' ' ' THR . . . . . 0.427 HG22 ' N ' ' A' ' 616' ' ' PHE . 62.5 m -87.34 154.41 20.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.095 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 616' ' ' PHE . . . . . 0.586 ' CD1' HG11 ' A' ' 620' ' ' VAL . 18.9 m-85 -125.71 146.21 49.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.884 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 1.1 t -106.51 163.58 12.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 618' ' ' SER . . . . . . . . . . . . . 31.5 m -42.9 -51.39 5.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.853 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 619' ' ' GLU . . . . . . . . . . . . . 10.5 mp0 -50.7 -35.06 29.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 620' ' ' VAL . . . . . 0.586 HG11 ' CD1' ' A' ' 616' ' ' PHE . 5.4 t -78.73 -41.96 24.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.14 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 621' ' ' LEU . . . . . . . . . . . . . 68.1 mt -59.1 -39.66 82.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.923 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 622' ' ' GLN . . . . . . . . . . . . . 29.7 mm-40 -53.29 -33.79 54.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.921 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -57.11 -19.48 19.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.131 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 1.3 t -134.82 -164.63 1.55 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.84 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 625' ' ' GLY . . . . . . . . . . . . . . . -139.8 -116.4 1.34 Allowed Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.469 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 626' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -90.06 29.52 1.21 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.861 0.362 . . . . 0.0 110.862 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 9.7 ptmm? -131.75 106.34 8.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 628' ' ' GLU . . . . . 0.407 ' HB2' ' N ' ' A' ' 650' ' ' GLY . 0.8 OUTLIER -54.37 126.58 55.06 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.652 0.739 . . . . 0.0 110.913 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 629' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 120.38 7.18 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.663 2.242 . . . . 0.0 112.355 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 630' ' ' VAL . . . . . 0.564 HG22 ' HB3' ' A' ' 649' ' ' ARG . 5.6 t -92.38 108.86 20.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.142 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 631' ' ' THR . . . . . 0.752 HG22 ' HA ' ' A' ' 684' ' ' GLN . 2.3 p -129.46 179.59 5.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.118 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 632' ' ' PHE . . . . . 0.514 ' HE1' ' HB2' ' A' ' 685' ' ' ALA . 27.2 p90 -158.58 145.82 17.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 633' ' ' CYS . . . . . . . . . . . . . 82.2 m -89.35 127.31 35.79 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 634' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -130.07 123.1 29.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.186 -179.857 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 635' ' ' TYR . . . . . 0.483 ' CD2' HD12 ' A' ' 680' ' ' LEU . 20.4 p90 -163.89 177.02 8.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.907 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 636' ' ' ALA . . . . . 0.414 ' HB2' HD12 ' A' ' 642' ' ' LEU . . . -132.16 157.44 44.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.103 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 637' ' ' PHE . . . . . 0.454 ' CZ ' ' CD2' ' A' ' 607' ' ' PHE . 46.0 t80 -122.96 142.42 50.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.867 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 638' ' ' TYR . . . . . 0.413 ' HB3' ' CD2' ' A' ' 640' ' ' PHE . 2.8 t80 47.48 27.24 0.92 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.939 -179.855 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 639' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 64.06 40.33 7.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.85 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 640' ' ' PHE . . . . . 0.413 ' CD2' ' HB3' ' A' ' 638' ' ' TYR . 11.0 m-85 -106.21 176.88 5.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.852 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -46.33 132.04 10.35 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.915 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 642' ' ' LEU . . . . . 0.414 HD12 ' HB2' ' A' ' 636' ' ' ALA . 2.8 tp -61.05 139.57 58.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 643' ' ' GLN . . . . . . . . . . . . . 7.1 mm100 -103.67 120.75 41.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.932 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 644' ' ' THR . . . . . . . . . . . . . 23.9 m -96.54 115.99 28.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.145 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 645' ' ' THR . . . . . . . . . . . . . 1.3 p -76.66 158.07 81.35 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.58 0.705 . . . . 0.0 111.15 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 646' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 130.65 19.72 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.707 2.272 . . . . 0.0 112.323 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 647' ' ' VAL . . . . . . . . . . . . . 59.0 t -68.69 124.78 25.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.14 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 28.5 t -135.19 127.22 47.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.131 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 649' ' ' ARG . . . . . 0.564 ' HB3' HG22 ' A' ' 630' ' ' VAL . 0.2 OUTLIER -88.08 145.16 26.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.912 -179.953 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 650' ' ' GLY . . . . . 0.407 ' N ' ' HB2' ' A' ' 628' ' ' GLU . . . 146.14 -175.03 25.84 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.507 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 651' ' ' LEU . . . . . 0.4 HD22 ' C ' ' A' ' 650' ' ' GLY . 4.5 mm? -113.91 -37.24 4.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.827 0.346 . . . . 0.0 110.906 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 652' ' ' HIS . . . . . 0.481 ' N ' ' CD ' ' A' ' 653' ' ' PRO . 3.0 m80 -134.06 51.38 6.36 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.563 0.697 . . . . 0.0 110.857 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 653' ' ' PRO . . . . . 0.481 ' CD ' ' N ' ' A' ' 652' ' ' HIS . 54.2 Cg_endo -69.74 -178.57 2.4 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.692 2.261 . . . . 0.0 112.35 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -133.79 91.07 2.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 655' ' ' TYR . . . . . . . . . . . . . 62.6 m-85 -45.2 -62.39 1.27 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.92 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 2.9 m120 61.61 30.15 18.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.877 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 657' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -93.49 126.54 38.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 18.6 m -121.5 144.29 48.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.101 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 83.0 p -149.23 137.49 20.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 660' ' ' GLN . . . . . 0.496 ' O ' ' CD1' ' A' ' 661' ' ' TYR . 0.0 OUTLIER -131.95 156.03 46.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.899 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 661' ' ' TYR . . . . . 0.496 ' CD1' ' O ' ' A' ' 660' ' ' GLN . 68.8 m-85 -155.18 134.78 12.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.968 -179.861 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 662' ' ' LEU . . . . . 0.614 HD21 ' OE1' ' A' ' 604' ' ' GLU . 0.3 OUTLIER -73.96 106.79 5.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 663' ' ' VAL . . . . . 0.505 HG23 ' O ' ' A' ' 663' ' ' VAL . 29.8 m -123.41 121.69 63.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.116 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 664' ' ' HIS . . . . . . . . . . . . . 37.7 p-80 -91.12 98.77 11.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.861 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 665' ' ' VAL . . . . . 0.645 HG22 ' HB2' ' A' ' 669' ' ' PHE . 2.7 p -173.57 123.63 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.103 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 666' ' ' ASN . . . . . . . . . . . . . 19.4 m120 -116.67 -59.77 1.93 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.895 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 667' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -68.25 -60.6 2.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.88 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -54.57 -18.42 4.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.9 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 669' ' ' PHE . . . . . 0.645 ' HB2' HG22 ' A' ' 665' ' ' VAL . 1.5 t80 -71.98 -62.93 1.25 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.942 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 670' ' ' LEU . . . . . . . . . . . . . 18.8 mt -57.71 -41.96 82.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.922 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 671' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -52.5 -40.45 62.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 672' ' ' TYR . . . . . 0.565 ' C ' ' CD1' ' A' ' 672' ' ' TYR . 0.3 OUTLIER -71.58 -29.53 64.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.922 -179.886 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 673' ' ' ILE . . . . . 0.477 HG21 ' CG2' ' A' ' 703' ' ' ILE . 20.1 mm -66.1 -20.95 28.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.158 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 674' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -106.82 -35.11 7.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 675' ' ' LYS . . . . . . . . . . . . . 19.0 mtpp -66.19 -48.19 71.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.924 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 676' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -143.82 136.95 27.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.93 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 68.7 p -91.42 169.69 10.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.183 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 678' ' ' ILE . . . . . 0.503 HG22 ' N ' ' A' ' 679' ' ' THR . 17.5 mt -89.76 157.1 3.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.128 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 679' ' ' THR . . . . . 0.503 ' N ' HG22 ' A' ' 678' ' ' ILE . 71.9 m -131.29 116.69 17.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.158 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 680' ' ' LEU . . . . . 0.626 HD23 ' O ' ' A' ' 680' ' ' LEU . 7.1 tt -125.74 106.5 9.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.907 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 681' ' ' GLU . . . . . 0.461 ' HG2' ' CB ' ' A' ' 695' ' ' ALA . 13.0 mt-10 -105.71 138.79 41.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.863 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 682' ' ' VAL . . . . . . . . . . . . . 58.2 t -93.3 105.56 16.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.154 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 683' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -85.71 121.47 28.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.83 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 684' ' ' GLN . . . . . 0.752 ' HA ' HG22 ' A' ' 631' ' ' THR . 37.2 tt0 -88.01 115.1 25.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.865 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 685' ' ' ALA . . . . . 0.514 ' HB2' ' HE1' ' A' ' 632' ' ' PHE . . . -88.7 103.1 15.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.099 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 686' ' ' TYR . . . . . 0.593 ' CD2' ' O ' ' A' ' 689' ' ' GLU . 3.0 m-85 -70.24 168.88 14.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.917 -179.884 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 687' ' ' SER . . . . . . . . . . . . . 28.6 t -66.36 -4.01 7.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.865 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 688' ' ' THR . . . . . . . . . . . . . 11.6 p -129.52 -56.19 1.15 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.171 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 689' ' ' GLU . . . . . 0.593 ' O ' ' CD2' ' A' ' 686' ' ' TYR . 2.5 tp10 -127.89 158.72 37.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.831 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 690' ' ' TYR . . . . . 0.479 ' CD1' ' HB1' ' A' ' 685' ' ' ALA . 0.6 OUTLIER -118.15 117.01 27.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.925 -179.866 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 691' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -132.9 155.38 49.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 692' ' ' THR . . . . . . . . . . . . . 4.5 m -72.65 141.01 48.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.129 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 693' ' ' ILE . . . . . 0.41 HD13 ' HB2' ' A' ' 684' ' ' GLN . 32.3 pt -123.81 -30.62 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.105 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -131.44 162.96 28.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.096 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 695' ' ' ALA . . . . . 0.461 ' CB ' ' HG2' ' A' ' 681' ' ' GLU . . . -161.48 123.54 2.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.083 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 696' ' ' CYS . . . . . . . . . . . . . 24.5 p -130.48 171.12 13.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.845 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 697' ' ' GLN . . . . . . . . . . . . . 29.2 mm-40 -125.06 120.28 31.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.922 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 698' ' ' LEU . . . . . . . . . . . . . 4.5 mt -91.74 130.01 37.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.944 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 699' ' ' LYS . . . . . . . . . . . . . 12.5 pttt -155.48 123.45 5.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.925 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 700' ' ' PHE . . . . . 0.771 ' CD2' ' CD1' ' A' ' 733' ' ' PHE . 0.3 OUTLIER -104.29 125.47 50.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.859 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 701' ' ' HIS . . . . . . . . . . . . . 54.0 m80 -90.26 -44.72 9.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.835 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 702' ' ' GLU . . . . . 0.702 ' CB ' HG21 ' A' ' 710' ' ' ILE . 4.9 mp0 -49.39 -43.92 44.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.862 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 703' ' ' ILE . . . . . 0.499 HG22 ' O ' ' A' ' 700' ' ' PHE . 8.1 tt -47.42 -22.21 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.122 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 704' ' ' LEU . . . . . . . . . . . . . 32.0 mt -70.6 -37.09 73.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.895 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 705' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -107.61 -52.7 2.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.843 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 706' ' ' LYS . . . . . . . . . . . . . 34.0 mttt -88.49 178.04 6.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.881 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 707' ' ' SER . . . . . . . . . . . . . 58.4 m -156.87 116.85 3.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 708' ' ' GLY . . . . . . . . . . . . . . . 138.12 -161.59 25.58 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.529 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 709' ' ' ARG . . . . . . . . . . . . . 10.1 ptt180 -62.07 84.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.807 0.336 . . . . 0.0 110.842 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 710' ' ' ILE . . . . . 0.702 HG21 ' CB ' ' A' ' 702' ' ' GLU . 13.4 mt -103.54 90.41 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.129 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 711' ' ' PHE . . . . . 0.431 ' C ' ' O ' ' A' ' 710' ' ' ILE . 97.1 m-85 -35.7 138.9 0.15 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 712' ' ' CYS . . . . . . . . . . . . . 3.1 t -164.14 157.56 18.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.897 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 713' ' ' THR . . . . . . . . . . . . . 6.8 p -145.63 170.02 17.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.151 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 714' ' ' ALA . . . . . . . . . . . . . . . -146.19 147.38 31.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.073 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 715' ' ' SER . . . . . . . . . . . . . 51.1 m -85.55 158.1 20.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.845 -179.764 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 716' ' ' LEU . . . . . . . . . . . . . 13.8 mt -119.8 134.91 55.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.936 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 717' ' ' ILE . . . . . . . . . . . . . 4.7 mp -126.69 137.63 57.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.11 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 718' ' ' GLY . . . . . . . . . . . . . . . -66.6 156.17 51.29 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.452 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 719' ' ' THR . . . . . . . . . . . . . 18.3 p -89.53 -54.16 4.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.86 0.362 . . . . 0.0 111.152 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 720' ' ' LYS . . . . . . . . . . . . . 4.7 mtmp? -83.74 -70.08 0.59 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.866 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 721' ' ' GLY . . . . . . . . . . . . . . . -51.32 -25.45 12.14 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.54 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 722' ' ' ASP . . . . . . . . . . . . . 7.9 t0 64.67 38.98 6.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.828 0.347 . . . . 0.0 110.884 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 723' ' ' ILE . . . . . . . . . . . . . 15.9 mt -80.87 117.85 69.81 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.612 0.72 . . . . 0.0 111.154 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 724' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -41.79 3.96 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.691 2.261 . . . . 0.0 112.3 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 725' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -85.98 37.88 0.73 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.876 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 726' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -55.56 -35.65 65.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.888 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 727' ' ' GLY . . . . . . . . . . . . . . . 148.5 -175.14 27.92 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.487 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 728' ' ' THR . . . . . . . . . . . . . 5.8 m -132.04 149.45 52.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.773 0.321 . . . . 0.0 111.158 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 729' ' ' VAL . . . . . 0.415 HG22 ' N ' ' A' ' 730' ' ' GLU . 10.4 p -105.23 156.2 6.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.107 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 730' ' ' GLU . . . . . 0.415 ' N ' HG22 ' A' ' 729' ' ' VAL . 11.9 mp0 -127.08 114.66 18.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.865 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 731' ' ' TYR . . . . . . . . . . . . . 20.5 p90 -145.52 170.41 16.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.911 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 732' ' ' TRP . . . . . . . . . . . . . 32.3 p-90 -149.6 127.22 11.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.935 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 733' ' ' PHE . . . . . 0.771 ' CD1' ' CD2' ' A' ' 700' ' ' PHE . 36.2 p90 -112.09 146.03 38.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.866 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 734' ' ' ARG . . . . . 0.505 HH21 HD23 ' A' ' 606' ' ' LEU . 0.4 OUTLIER -147.05 123.52 11.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.869 -179.908 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 735' ' ' LEU . . . . . . . . . . . . . 24.8 tp -120.15 105.93 11.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 736' ' ' ARG . . . . . 0.43 ' O ' ' C ' ' A' ' 737' ' ' VAL . 34.1 ttm180 -144.15 138.53 28.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.91 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 737' ' ' VAL . . . . . 0.43 ' C ' ' O ' ' A' ' 736' ' ' ARG . 1.9 p -35.55 149.24 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.106 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 738' ' ' SER . . . . . . . . . . . . . 28.3 t -109.05 123.55 49.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.888 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 739' ' ' GLY . . . . . . . . . . . . . . . -163.88 106.86 0.28 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.46 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 740' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 115.45 4.1 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.673 2.249 . . . . 0.0 112.316 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 64.5 p -81.61 -51.64 8.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 5.7 m -58.62 117.96 5.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.865 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 743' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.507 -179.991 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 588' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 N-CA-C 112.453 -0.259 . . . . 0.0 112.453 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 3.5 m 61.39 42.54 11.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.902 0.382 . . . . 0.0 110.897 -179.713 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 590' ' ' SER . . . . . . . . . . . . . 6.4 m -133.72 150.31 51.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.833 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 591' ' ' GLY . . . . . . . . . . . . . . . -75.86 -170.96 30.3 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.545 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 57.8 p -148.38 126.1 11.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.876 0.37 . . . . 0.0 110.831 -179.716 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 49.4 m -40.63 137.21 1.19 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.891 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 594' ' ' GLY . . . . . . . . . . . . . . . 154.73 -99.47 0.19 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.447 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 595' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -159.12 116.8 2.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.758 0.314 . . . . 0.0 110.884 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 596' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -139.57 121.46 15.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 597' ' ' THR . . . . . . . . . . . . . 20.4 p -56.19 101.7 0.06 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.167 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 598' ' ' ILE . . . . . . . . . . . . . 23.8 mt -38.46 119.64 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.107 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 599' ' ' HIS . . . . . . . . . . . . . 17.5 m170 -47.05 127.86 10.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 600' ' ' LEU . . . . . . . . . . . . . 20.7 mt -119.14 118.1 30.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.894 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 601' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -72.36 -11.61 60.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 602' ' ' ARG . . . . . . . . . . . . . 2.9 mpt_? -86.54 101.51 13.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.863 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 603' ' ' GLY . . . . . . . . . . . . . . . 169.35 -160.11 33.26 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.486 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 604' ' ' GLU . . . . . . . . . . . . . 4.3 pm0 -62.4 158.0 18.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.86 0.362 . . . . 0.0 110.887 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 605' ' ' ASN . . . . . . . . . . . . . 9.6 m-20 -117.17 171.49 7.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.9 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 606' ' ' LEU . . . . . . . . . . . . . 12.9 tp -141.2 108.43 5.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.94 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 607' ' ' PHE . . . . . 0.744 ' CD2' ' CE1' ' A' ' 637' ' ' PHE . 13.2 t80 -90.94 104.16 16.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.934 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 608' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -112.75 135.18 53.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.837 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 609' ' ' ILE . . . . . . . . . . . . . 68.2 mt -123.3 137.39 56.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.127 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 610' ' ' HIS . . . . . . . . . . . . . 19.3 t60 -128.15 131.36 48.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.909 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 611' ' ' ILE . . . . . 0.513 HD13 ' HB3' ' A' ' 731' ' ' TYR . 23.4 mm -99.73 137.19 27.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.175 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 612' ' ' ASN . . . . . . . . . . . . . 10.6 m120 -93.5 -64.09 1.13 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 613' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.71 179.19 5.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 614' ' ' VAL . . . . . . . . . . . . . 95.1 t -130.49 113.67 26.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.15 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 615' ' ' THR . . . . . . . . . . . . . 39.3 m -87.18 127.11 35.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.172 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 616' ' ' PHE . . . . . 0.624 ' CD1' HG11 ' A' ' 620' ' ' VAL . 9.0 m-85 -105.33 158.72 16.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.845 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 6.3 p -96.35 164.67 12.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.863 -179.787 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 618' ' ' SER . . . . . . . . . . . . . 9.5 t -49.96 -62.36 1.61 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.865 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 619' ' ' GLU . . . . . 0.471 ' HG2' ' N ' ' A' ' 620' ' ' VAL . 24.3 pm0 -47.87 -31.26 4.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.92 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 620' ' ' VAL . . . . . 0.624 HG11 ' CD1' ' A' ' 616' ' ' PHE . 8.5 t -78.69 -31.39 15.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.157 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 621' ' ' LEU . . . . . 0.504 HD22 ' HG ' ' A' ' 651' ' ' LEU . 83.8 mt -70.79 -59.26 2.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.923 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 622' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -55.61 -40.45 72.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.88 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -44.75 -37.68 3.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.112 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 624' ' ' SER . . . . . 0.427 ' CB ' ' HG3' ' A' ' 629' ' ' PRO . 27.9 p -67.64 -56.22 10.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.927 -179.799 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 625' ' ' GLY . . . . . . . . . . . . . . . 116.04 -153.99 17.15 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.453 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 626' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -86.41 43.55 1.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.907 0.384 . . . . 0.0 110.881 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 10.6 ptpp? -144.49 177.31 8.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.917 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 628' ' ' GLU . . . . . 0.401 ' HA ' ' HD2' ' A' ' 629' ' ' PRO . 14.1 mm-40 -106.4 99.45 24.32 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.603 0.716 . . . . 0.0 110.878 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 629' ' ' PRO . . . . . 0.427 ' HG3' ' CB ' ' A' ' 624' ' ' SER . 53.8 Cg_endo -69.75 111.25 2.76 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.731 2.288 . . . . 0.0 112.321 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 630' ' ' VAL . . . . . 0.441 HG13 ' O ' ' A' ' 648' ' ' VAL . 9.0 t -91.4 145.6 7.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.157 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 631' ' ' THR . . . . . . . . . . . . . 1.1 p -150.24 163.38 38.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.183 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 632' ' ' PHE . . . . . 0.427 ' O ' ' CD1' ' A' ' 632' ' ' PHE . 21.5 p90 -142.67 136.54 29.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 633' ' ' CYS . . . . . 0.76 ' SG ' HG22 ' A' ' 682' ' ' VAL . 84.5 m -89.41 137.31 32.43 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 634' ' ' THR . . . . . 0.549 ' HB ' HD11 ' A' ' 642' ' ' LEU . 29.8 p -134.4 123.83 24.7 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.149 -179.878 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 635' ' ' TYR . . . . . 0.733 ' CD1' HD12 ' A' ' 680' ' ' LEU . 3.8 p90 -164.05 -179.68 6.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.929 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 636' ' ' ALA . . . . . . . . . . . . . . . -147.13 155.7 42.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.074 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 637' ' ' PHE . . . . . 0.744 ' CE1' ' CD2' ' A' ' 607' ' ' PHE . 9.4 t80 -122.35 132.16 54.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.897 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 638' ' ' TYR . . . . . . . . . . . . . 5.0 t80 70.75 29.1 3.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.911 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 639' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 58.87 35.6 24.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.829 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 640' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -93.4 -179.28 5.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -55.52 140.27 41.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 642' ' ' LEU . . . . . 0.549 HD11 ' HB ' ' A' ' 634' ' ' THR . 0.3 OUTLIER -67.7 117.07 9.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.933 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 643' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -92.77 124.49 36.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.902 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 644' ' ' THR . . . . . . . . . . . . . 50.2 m -91.81 134.31 34.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.159 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 645' ' ' THR . . . . . . . . . . . . . 9.8 p -85.41 155.77 59.67 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.576 0.703 . . . . 0.0 111.165 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 646' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 133.32 25.42 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.701 2.267 . . . . 0.0 112.368 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 647' ' ' VAL . . . . . . . . . . . . . 39.7 t -69.37 129.76 33.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.113 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 648' ' ' VAL . . . . . 0.441 ' O ' HG13 ' A' ' 630' ' ' VAL . 84.8 t -134.14 133.16 55.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.175 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 649' ' ' ARG . . . . . 0.409 ' N ' ' HD3' ' A' ' 649' ' ' ARG . 2.0 mpp_? -86.34 136.31 33.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 650' ' ' GLY . . . . . . . . . . . . . . . 129.62 162.38 10.83 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.521 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 651' ' ' LEU . . . . . 0.504 ' HG ' HD22 ' A' ' 621' ' ' LEU . 2.4 mm? -70.78 -56.74 5.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.858 0.361 . . . . 0.0 110.932 -179.891 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 652' ' ' HIS . . . . . . . . . . . . . 1.2 m80 -107.44 73.47 0.38 Allowed Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.585 0.707 . . . . 0.0 110.821 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 653' ' ' PRO . . . . . 0.409 ' HD3' ' C ' ' A' ' 651' ' ' LEU . 53.8 Cg_endo -69.81 149.2 66.26 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.691 2.261 . . . . 0.0 112.319 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -113.12 71.47 0.74 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 655' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -42.65 -52.92 4.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 2.9 m120 57.21 39.97 28.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.85 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 657' ' ' PHE . . . . . . . . . . . . . 28.7 t80 -102.24 140.77 36.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.86 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 6.8 m -132.97 137.68 46.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.176 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 54.3 p -132.34 141.1 48.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.798 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 53.2 mt-30 -105.5 152.06 23.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.923 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 661' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -141.52 111.21 6.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 662' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -73.34 101.59 3.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.918 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 663' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 663' ' ' VAL . 18.6 m -131.28 115.67 30.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.154 179.818 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 664' ' ' HIS . . . . . 0.752 ' O ' HG13 ' A' ' 665' ' ' VAL . 4.1 t-80 -93.95 112.15 23.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.822 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 665' ' ' VAL . . . . . 0.752 HG13 ' O ' ' A' ' 664' ' ' HIS . 0.6 OUTLIER -167.31 169.56 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.132 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 666' ' ' ASN . . . . . . . . . . . . . 7.2 m-80 -127.28 -67.87 0.82 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 667' ' ' ASP . . . . . . . . . . . . . 50.4 m-20 -81.8 -60.23 2.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.812 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 10.8 mp -41.21 -28.83 0.11 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 669' ' ' PHE . . . . . 0.752 ' HD2' HG23 ' A' ' 665' ' ' VAL . 1.0 OUTLIER -61.11 -69.98 0.21 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.95 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 670' ' ' LEU . . . . . . . . . . . . . 43.8 mt -61.17 -42.91 99.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.924 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 671' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -54.88 -39.15 68.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.836 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 672' ' ' TYR . . . . . 0.642 ' C ' ' CD1' ' A' ' 672' ' ' TYR . 0.0 OUTLIER -71.89 -17.2 62.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.886 -179.857 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 673' ' ' ILE . . . . . 0.971 HG21 HG21 ' A' ' 703' ' ' ILE . 67.9 mt -89.2 -33.56 6.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.159 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 674' ' ' GLN . . . . . 0.569 ' HB3' HD21 ' A' ' 704' ' ' LEU . 17.2 pt20 -88.75 -36.22 16.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 675' ' ' LYS . . . . . . . . . . . . . 14.0 mmmt -75.09 -72.61 0.29 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 676' ' ' ASN . . . . . 0.595 ' ND2' ' CD2' ' A' ' 672' ' ' TYR . 1.6 p-10 -94.59 153.28 17.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 677' ' ' THR . . . . . 0.412 HG22 ' HB3' ' A' ' 699' ' ' LYS . 82.4 p -117.77 163.55 16.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.167 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 678' ' ' ILE . . . . . 0.422 ' N ' HD12 ' A' ' 678' ' ' ILE . 4.6 mp -89.8 139.92 16.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.173 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 2.8 m -102.13 106.63 17.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.172 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 680' ' ' LEU . . . . . 1.063 HD13 HD11 ' A' ' 698' ' ' LEU . 5.8 tt -120.84 100.62 7.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.943 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 681' ' ' GLU . . . . . 0.474 ' HG2' ' CB ' ' A' ' 695' ' ' ALA . 59.6 mt-10 -98.34 130.39 45.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 682' ' ' VAL . . . . . 0.76 HG22 ' SG ' ' A' ' 633' ' ' CYS . 68.7 t -95.31 102.02 13.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.121 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 683' ' ' HIS . . . . . 0.483 ' N ' ' CD2' ' A' ' 683' ' ' HIS . 0.7 OUTLIER -93.69 132.65 37.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.846 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 684' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -92.34 119.97 32.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -87.23 131.81 34.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.143 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 686' ' ' TYR . . . . . 0.46 ' CD2' ' O ' ' A' ' 689' ' ' GLU . 0.6 OUTLIER -99.59 168.56 9.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.95 -179.813 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 687' ' ' SER . . . . . . . . . . . . . 17.2 m -60.95 -9.29 4.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 688' ' ' THR . . . . . . . . . . . . . 20.3 p -113.64 -72.88 0.68 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.212 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 689' ' ' GLU . . . . . 0.46 ' O ' ' CD2' ' A' ' 686' ' ' TYR . 4.2 pt-20 -123.07 -175.12 3.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 690' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -141.33 133.82 28.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.864 -179.826 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 691' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -145.13 155.5 43.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.877 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 692' ' ' THR . . . . . . . . . . . . . 62.4 m -68.89 130.89 44.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.166 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 693' ' ' ILE . . . . . . . . . . . . . 7.4 pt -122.55 -22.04 3.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.139 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -132.28 152.45 51.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.114 179.8 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 695' ' ' ALA . . . . . 0.474 ' CB ' ' HG2' ' A' ' 681' ' ' GLU . . . -150.99 127.74 10.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.127 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 696' ' ' CYS . . . . . . . . . . . . . 31.3 p -146.57 161.35 40.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 697' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -111.25 117.74 34.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.939 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 698' ' ' LEU . . . . . 1.063 HD11 HD13 ' A' ' 680' ' ' LEU . 99.0 mt -83.12 122.2 28.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.939 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 699' ' ' LYS . . . . . 0.412 ' HB3' HG22 ' A' ' 677' ' ' THR . 6.2 pttt -147.08 124.23 11.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 179.845 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 700' ' ' PHE . . . . . 0.59 ' HB3' ' CZ ' ' A' ' 733' ' ' PHE . 0.5 OUTLIER -100.5 123.88 45.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.887 179.956 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 701' ' ' HIS . . . . . . . . . . . . . 42.2 m80 -90.49 -42.47 10.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.863 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 702' ' ' GLU . . . . . 0.459 ' HB3' HG21 ' A' ' 710' ' ' ILE . 7.4 mp0 -47.87 -36.68 12.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.896 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 703' ' ' ILE . . . . . 0.971 HG21 HG21 ' A' ' 673' ' ' ILE . 1.0 OUTLIER -47.51 -30.32 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.09 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 704' ' ' LEU . . . . . 0.569 HD21 ' HB3' ' A' ' 674' ' ' GLN . 9.9 mt -74.31 -39.48 62.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.947 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 705' ' ' GLU . . . . . . . . . . . . . 73.2 mm-40 -76.37 -70.73 0.43 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.856 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 706' ' ' LYS . . . . . . . . . . . . . 11.8 mtmt -96.24 178.12 5.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.903 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 707' ' ' SER . . . . . . . . . . . . . 25.2 p -148.16 106.61 3.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.851 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 708' ' ' GLY . . . . . . . . . . . . . . . 144.62 -138.98 8.19 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.496 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 709' ' ' ARG . . . . . . . . . . . . . 8.1 ttm180 -62.82 94.31 0.06 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.794 0.331 . . . . 0.0 110.846 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 710' ' ' ILE . . . . . 0.459 HG21 ' HB3' ' A' ' 702' ' ' GLU . 7.7 mt -135.81 126.72 43.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.127 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 711' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -112.67 154.02 26.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.878 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 712' ' ' CYS . . . . . . . . . . . . . 1.8 t -160.37 178.14 9.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.891 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 713' ' ' THR . . . . . 0.425 ' HB ' ' CG2' ' A' ' 728' ' ' THR . 28.7 p -135.55 155.63 50.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.112 -179.857 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 714' ' ' ALA . . . . . . . . . . . . . . . -122.16 168.82 11.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.097 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 715' ' ' SER . . . . . . . . . . . . . 41.0 t -104.76 133.02 50.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.852 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 716' ' ' LEU . . . . . 0.58 ' C ' HD12 ' A' ' 717' ' ' ILE . 12.2 mt -103.74 150.54 23.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.932 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 717' ' ' ILE . . . . . 0.58 HD12 ' C ' ' A' ' 716' ' ' LEU . 4.6 mp -137.2 144.76 31.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.138 179.826 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 718' ' ' GLY . . . . . . . . . . . . . . . -82.19 162.62 42.46 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.455 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 719' ' ' THR . . . . . . . . . . . . . 47.0 p -98.64 -57.23 2.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.895 0.379 . . . . 0.0 111.145 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 720' ' ' LYS . . . . . . . . . . . . . 7.5 mptt -81.16 -48.47 12.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.917 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 721' ' ' GLY . . . . . . . . . . . . . . . -74.62 -16.46 80.16 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.438 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 722' ' ' ASP . . . . . . . . . . . . . 38.1 m-20 54.58 39.08 30.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.792 0.329 . . . . 0.0 110.847 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 723' ' ' ILE . . . . . . . . . . . . . 75.3 mt -84.25 110.47 26.66 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.599 0.714 . . . . 0.0 111.099 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 724' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -27.28 26.49 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.709 2.272 . . . . 0.0 112.341 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 725' ' ' ASN . . . . . . . . . . . . . 47.6 t-20 -106.49 43.56 1.14 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.912 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 726' ' ' PHE . . . . . 0.433 ' O ' HG21 ' A' ' 620' ' ' VAL . 10.7 t80 -56.08 -36.58 68.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 727' ' ' GLY . . . . . . . . . . . . . . . 157.17 170.11 21.73 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.493 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 728' ' ' THR . . . . . 0.425 ' CG2' ' HB ' ' A' ' 713' ' ' THR . 7.5 m -110.97 147.1 35.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.843 0.354 . . . . 0.0 111.145 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 729' ' ' VAL . . . . . . . . . . . . . 11.0 p -112.22 135.8 50.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.161 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -110.08 125.39 52.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 731' ' ' TYR . . . . . 0.513 ' HB3' HD13 ' A' ' 611' ' ' ILE . 3.5 p90 -143.98 177.83 8.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.969 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 732' ' ' TRP . . . . . 0.586 ' CZ2' ' HB2' ' A' ' 734' ' ' ARG . 7.6 t90 -149.8 134.88 17.99 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.953 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 733' ' ' PHE . . . . . 0.59 ' CZ ' ' HB3' ' A' ' 700' ' ' PHE . 12.8 p90 -129.36 149.54 51.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.926 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 734' ' ' ARG . . . . . 0.586 ' HB2' ' CZ2' ' A' ' 732' ' ' TRP . 34.6 ttt180 -141.1 158.44 43.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.865 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 735' ' ' LEU . . . . . 0.544 HD13 ' CZ ' ' A' ' 669' ' ' PHE . 23.5 tp -141.04 105.02 4.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.919 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 736' ' ' ARG . . . . . . . . . . . . . 5.4 tpm_? -152.31 136.85 16.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.863 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 737' ' ' VAL . . . . . 0.406 HG22 ' N ' ' A' ' 738' ' ' SER . 9.0 p -38.49 153.68 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.123 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 738' ' ' SER . . . . . 0.406 ' N ' HG22 ' A' ' 737' ' ' VAL . 22.2 t -111.53 145.85 38.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.827 -179.836 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 739' ' ' GLY . . . . . . . . . . . . . . . -81.15 129.18 8.87 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.507 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 740' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 110.99 2.68 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.655 2.237 . . . . 0.0 112.353 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 1.9 m -78.99 -53.59 6.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 20.1 p -113.79 177.87 4.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.807 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 743' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.508 -179.971 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 588' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 42.4 t -161.56 142.07 10.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.876 0.37 . . . . 0.0 110.855 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 590' ' ' SER . . . . . . . . . . . . . 22.3 t -105.68 -58.69 1.87 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.897 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 591' ' ' GLY . . . . . . . . . . . . . . . 141.91 -101.58 0.28 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.465 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 32.3 t -144.91 152.74 40.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.82 0.343 . . . . 0.0 110.872 -179.694 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 24.9 p -154.63 177.33 11.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.841 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 594' ' ' GLY . . . . . . . . . . . . . . . 154.09 -70.39 0.29 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.489 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 595' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -139.0 110.18 6.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.771 0.319 . . . . 0.0 110.87 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 596' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -106.49 106.08 16.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.861 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 597' ' ' THR . . . . . . . . . . . . . 12.1 p -66.29 113.13 4.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.122 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 598' ' ' ILE . . . . . 0.609 HG22 ' O ' ' A' ' 598' ' ' ILE . 62.6 mt -109.86 53.42 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.136 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 599' ' ' HIS . . . . . . . . . . . . . 17.4 p80 -134.43 47.25 2.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.822 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 600' ' ' LEU . . . . . . . . . . . . . 10.5 mt -139.9 133.93 30.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.883 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 601' ' ' GLU . . . . . 0.404 ' OE1' HG11 ' A' ' 737' ' ' VAL . 57.7 mt-10 -61.44 168.6 2.68 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.887 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 602' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.85 166.6 11.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.876 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 603' ' ' GLY . . . . . . . . . . . . . . . 120.94 -133.58 9.75 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.527 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 604' ' ' GLU . . . . . . . . . . . . . 2.6 pm0 -88.39 139.75 30.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.797 0.332 . . . . 0.0 110.926 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 605' ' ' ASN . . . . . . . . . . . . . 34.9 m120 -116.05 165.78 12.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.919 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 606' ' ' LEU . . . . . 0.426 HD12 ' O ' ' A' ' 661' ' ' TYR . 9.3 tp -140.12 140.59 36.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.898 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 607' ' ' PHE . . . . . 0.4 ' CE2' ' HZ ' ' A' ' 669' ' ' PHE . 31.9 t80 -139.4 124.72 19.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 608' ' ' GLU . . . . . . . . . . . . . 18.5 pt-20 -128.96 147.06 50.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.931 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 609' ' ' ILE . . . . . . . . . . . . . 39.4 mt -123.27 129.44 74.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.174 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 610' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -125.89 118.3 25.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.863 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 32.4 mm -86.56 121.94 38.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.124 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 612' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -72.68 -67.84 0.53 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.918 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 613' ' ' LYS . . . . . . . . . . . . . 2.4 ptpt -166.4 179.08 5.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.883 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 614' ' ' VAL . . . . . . . . . . . . . 70.7 t -127.16 110.85 23.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.101 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 615' ' ' THR . . . . . . . . . . . . . 89.7 m -87.36 145.06 26.48 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.137 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 616' ' ' PHE . . . . . 0.513 ' HB3' ' CG2' ' A' ' 620' ' ' VAL . 32.7 m-85 -127.67 167.78 15.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.899 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 617' ' ' SER . . . . . 0.472 ' O ' ' N ' ' A' ' 619' ' ' GLU . 27.1 t -109.01 146.57 33.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.846 -179.773 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 618' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 617' ' ' SER . 22.4 t -35.3 -32.98 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.841 -179.795 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 619' ' ' GLU . . . . . 0.728 ' HG3' HD13 ' A' ' 723' ' ' ILE . 4.0 tp10 -46.72 -68.93 0.15 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.831 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 620' ' ' VAL . . . . . 0.513 ' CG2' ' HB3' ' A' ' 616' ' ' PHE . 34.0 m -65.81 -38.59 82.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.166 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 621' ' ' LEU . . . . . . . . . . . . . 29.3 mt -48.78 -50.27 34.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.921 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 622' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -76.37 -46.35 27.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -48.06 -43.1 30.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.088 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 73.9 m -63.8 -53.1 56.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 625' ' ' GLY . . . . . . . . . . . . . . . 105.47 -155.01 17.06 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.447 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 626' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -83.35 45.59 1.05 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.835 0.35 . . . . 0.0 110.876 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 10.0 ptmt -143.74 143.57 31.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -97.05 104.69 19.92 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-O 121.699 0.761 . . . . 0.0 110.881 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 629' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.8 116.72 4.69 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.66 2.24 . . . . 0.0 112.363 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 630' ' ' VAL . . . . . 0.712 HG22 ' HB3' ' A' ' 649' ' ' ARG . 4.7 t -80.36 123.56 37.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.164 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 631' ' ' THR . . . . . 0.591 HG22 ' HB3' ' A' ' 684' ' ' GLN . 38.9 p -133.49 165.43 24.89 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.119 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 632' ' ' PHE . . . . . 0.641 ' CE2' ' NE2' ' A' ' 683' ' ' HIS . 18.5 p90 -147.63 140.6 24.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.855 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 633' ' ' CYS . . . . . . . . . . . . . 73.3 m -93.14 129.51 39.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.852 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 634' ' ' THR . . . . . . . . . . . . . 10.9 p -135.66 122.19 20.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.133 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 635' ' ' TYR . . . . . 0.416 ' C ' HD22 ' A' ' 642' ' ' LEU . 32.1 p90 -155.97 162.78 40.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 636' ' ' ALA . . . . . 0.582 ' HB2' HD22 ' A' ' 642' ' ' LEU . . . -114.46 128.54 56.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.127 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 637' ' ' PHE . . . . . 0.655 ' O ' ' CD1' ' A' ' 640' ' ' PHE . 54.5 t80 -105.44 158.9 16.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 638' ' ' TYR . . . . . 0.62 ' HB3' ' CE2' ' A' ' 640' ' ' PHE . 7.3 t80 45.39 25.02 0.19 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 -179.821 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 639' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 51.01 54.97 10.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.924 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 640' ' ' PHE . . . . . 0.655 ' CD1' ' O ' ' A' ' 637' ' ' PHE . 0.0 OUTLIER -137.75 -171.61 3.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.853 -179.835 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 641' ' ' GLU . . . . . 0.458 ' C ' ' O ' ' A' ' 640' ' ' PHE . 16.3 pt-20 -33.24 123.7 0.4 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.915 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 642' ' ' LEU . . . . . 0.684 HD13 ' N ' ' A' ' 643' ' ' GLN . 0.7 OUTLIER -62.45 117.31 5.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.885 -179.92 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 643' ' ' GLN . . . . . 0.684 ' N ' HD13 ' A' ' 642' ' ' LEU . 11.9 mm100 -78.72 125.15 28.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.905 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 644' ' ' THR . . . . . . . . . . . . . 60.1 m -106.05 134.18 49.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.137 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 645' ' ' THR . . . . . . . . . . . . . 73.3 p -95.55 152.55 39.29 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.55 0.691 . . . . 0.0 111.119 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 646' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 144.26 53.65 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.652 2.234 . . . . 0.0 112.387 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 647' ' ' VAL . . . . . 0.408 ' CG1' ' CG1' ' A' ' 630' ' ' VAL . 58.3 t -68.34 126.18 27.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.126 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 92.6 t -136.21 111.92 11.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.15 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 649' ' ' ARG . . . . . 0.712 ' HB3' HG22 ' A' ' 630' ' ' VAL . 0.0 OUTLIER -84.95 146.4 27.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.848 -179.936 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 650' ' ' GLY . . . . . . . . . . . . . . . 133.8 162.66 10.11 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.47 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 651' ' ' LEU . . . . . 0.554 ' N ' HD22 ' A' ' 651' ' ' LEU . 1.5 mm? -81.71 -52.2 7.4 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.868 0.366 . . . . 0.0 110.861 -179.857 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 652' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 -127.46 57.08 22.12 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.615 0.722 . . . . 0.0 110.895 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 653' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 -170.19 0.37 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.705 2.27 . . . . 0.0 112.361 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 81.5 mt-10 -132.78 77.26 1.73 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.908 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 655' ' ' TYR . . . . . . . . . . . . . 90.2 m-85 -38.85 -57.24 1.25 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.926 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 7.2 m-20 55.73 40.76 30.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.903 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 657' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -94.42 103.57 15.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 6.3 m -117.45 107.41 14.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.168 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 58.2 p -109.28 148.82 30.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.852 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -118.74 121.47 40.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.86 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 661' ' ' TYR . . . . . 0.426 ' O ' HD12 ' A' ' 606' ' ' LEU . 13.3 m-85 -130.49 122.84 28.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.962 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 662' ' ' LEU . . . . . 0.406 ' HA ' HD22 ' A' ' 662' ' ' LEU . 0.6 OUTLIER -72.41 102.16 3.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.927 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 663' ' ' VAL . . . . . 0.558 HG23 ' O ' ' A' ' 663' ' ' VAL . 35.0 m -115.23 115.58 49.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.12 179.857 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 664' ' ' HIS . . . . . 0.542 ' O ' ' CD2' ' A' ' 664' ' ' HIS . 50.1 p-80 -90.87 99.41 12.45 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 665' ' ' VAL . . . . . 0.527 HG11 ' CZ ' ' A' ' 638' ' ' TYR . 4.0 m -156.49 149.8 10.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.125 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 666' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -134.96 -62.97 0.71 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 667' ' ' ASP . . . . . . . . . . . . . 40.5 t0 -83.89 -60.09 2.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.862 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 16.6 mt -41.39 -41.88 2.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.932 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 669' ' ' PHE . . . . . 0.4 ' HZ ' ' CE2' ' A' ' 607' ' ' PHE . 3.7 t80 -49.95 -70.72 0.08 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 670' ' ' LEU . . . . . . . . . . . . . 71.3 mt -49.64 -53.15 25.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.911 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 671' ' ' GLN . . . . . 0.421 ' O ' ' CG ' ' A' ' 675' ' ' LYS . 23.8 mt-30 -45.97 -38.22 7.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 672' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -73.64 -47.98 35.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.952 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 673' ' ' ILE . . . . . . . . . . . . . 29.5 mm -44.32 -45.96 2.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.142 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 674' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -83.81 -54.54 4.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.873 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 675' ' ' LYS . . . . . 0.421 ' CG ' ' O ' ' A' ' 671' ' ' GLN . 79.7 mttt -46.78 -58.83 3.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.897 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 676' ' ' ASN . . . . . . . . . . . . . 7.7 m-80 -119.7 159.07 25.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 11.6 p -119.69 165.8 14.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.142 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 678' ' ' ILE . . . . . . . . . . . . . 15.9 mt -90.02 147.35 5.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.119 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 51.5 m -121.04 101.42 7.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.112 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 680' ' ' LEU . . . . . 0.769 HD23 ' O ' ' A' ' 680' ' ' LEU . 6.5 tt -109.7 101.21 10.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.923 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 681' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -96.69 132.45 42.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 682' ' ' VAL . . . . . 0.422 ' O ' ' HB3' ' A' ' 694' ' ' ALA . 61.8 t -102.91 97.18 5.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.135 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 683' ' ' HIS . . . . . 0.641 ' NE2' ' CE2' ' A' ' 632' ' ' PHE . 5.4 p-80 -106.27 158.31 16.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.84 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 684' ' ' GLN . . . . . 0.591 ' HB3' HG22 ' A' ' 631' ' ' THR . 13.6 pt20 -109.35 147.13 33.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -98.65 104.53 16.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.088 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 686' ' ' TYR . . . . . 0.532 ' CZ ' ' HG3' ' A' ' 684' ' ' GLN . 21.1 m-85 -78.76 167.57 21.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.938 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 687' ' ' SER . . . . . . . . . . . . . 7.3 t -40.4 -61.76 0.86 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.821 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 688' ' ' THR . . . . . . . . . . . . . 8.8 t -134.81 33.6 3.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.159 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 689' ' ' GLU . . . . . 0.519 ' C ' ' CD1' ' A' ' 690' ' ' TYR . 5.7 mp0 -140.92 161.59 37.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.892 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 690' ' ' TYR . . . . . 0.519 ' CD1' ' C ' ' A' ' 689' ' ' GLU . 56.9 m-85 -154.23 118.68 4.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.93 -179.861 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 691' ' ' GLU . . . . . 0.458 ' HG3' ' N ' ' A' ' 692' ' ' THR . 33.3 tp10 -149.63 155.58 40.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.857 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 692' ' ' THR . . . . . 0.458 ' N ' ' HG3' ' A' ' 691' ' ' GLU . 25.8 m -85.8 119.77 26.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.128 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 693' ' ' ILE . . . . . 0.525 HD12 ' HB2' ' A' ' 694' ' ' ALA . 2.6 pp -108.14 -24.05 4.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.122 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 694' ' ' ALA . . . . . 0.525 ' HB2' HD12 ' A' ' 693' ' ' ILE . . . -130.98 152.47 50.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.08 179.821 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 695' ' ' ALA . . . . . . . . . . . . . . . -164.43 133.63 3.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.12 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 696' ' ' CYS . . . . . . . . . . . . . 28.1 p -149.75 162.12 40.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.851 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 697' ' ' GLN . . . . . . . . . . . . . 7.0 mm-40 -112.84 111.43 22.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.921 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 698' ' ' LEU . . . . . 0.703 HD11 HD13 ' A' ' 680' ' ' LEU . 61.6 mt -82.71 135.08 35.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.874 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 699' ' ' LYS . . . . . . . . . . . . . 7.3 ptpt -154.73 128.83 8.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.945 179.82 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 700' ' ' PHE . . . . . 0.645 ' CD1' ' CE1' ' A' ' 733' ' ' PHE . 4.9 m-85 -100.78 124.91 47.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.899 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 701' ' ' HIS . . . . . . . . . . . . . 33.2 m-70 -91.17 -57.3 2.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.832 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 702' ' ' GLU . . . . . 0.775 ' HB2' HG21 ' A' ' 710' ' ' ILE . 50.2 mm-40 -43.33 -44.87 5.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 703' ' ' ILE . . . . . 0.411 HG22 ' O ' ' A' ' 700' ' ' PHE . 18.2 tt -47.27 -38.03 4.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.114 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 704' ' ' LEU . . . . . . . . . . . . . 17.2 mt -64.81 -36.89 85.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.886 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 705' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -95.47 -64.93 1.01 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.924 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 706' ' ' LYS . . . . . 0.474 ' N ' ' O ' ' A' ' 702' ' ' GLU . 15.6 mttm -82.55 179.64 7.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 707' ' ' SER . . . . . . . . . . . . . 1.1 t -147.95 130.1 15.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.856 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 708' ' ' GLY . . . . . . . . . . . . . . . 117.67 -154.53 16.61 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.494 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 709' ' ' ARG . . . . . 0.431 ' C ' HG13 ' A' ' 710' ' ' ILE . 5.7 ptp180 -61.15 122.08 14.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.796 0.331 . . . . 0.0 110.88 -179.87 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 710' ' ' ILE . . . . . 0.775 HG21 ' HB2' ' A' ' 702' ' ' GLU . 15.6 mt -141.25 116.49 6.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.155 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 711' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 -77.06 125.18 28.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 712' ' ' CYS . . . . . . . . . . . . . 1.7 m -150.76 160.34 43.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.891 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 713' ' ' THR . . . . . . . . . . . . . 32.1 p -142.2 164.53 29.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.152 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 714' ' ' ALA . . . . . . . . . . . . . . . -136.8 151.97 49.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.101 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 715' ' ' SER . . . . . . . . . . . . . 4.9 t -89.86 152.64 21.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.851 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 716' ' ' LEU . . . . . . . . . . . . . 11.1 mt -118.46 144.49 45.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.877 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 717' ' ' ILE . . . . . . . . . . . . . 5.2 mp -132.72 139.04 50.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.108 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 718' ' ' GLY . . . . . . . . . . . . . . . -83.39 132.13 10.87 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.501 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 719' ' ' THR . . . . . . . . . . . . . 55.9 p -79.28 -49.01 13.13 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.849 0.357 . . . . 0.0 111.15 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 720' ' ' LYS . . . . . . . . . . . . . 25.6 mmtt -77.42 -43.82 31.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.901 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 721' ' ' GLY . . . . . . . . . . . . . . . -78.63 -20.3 71.64 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.451 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 722' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 56.94 42.55 26.1 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.804 0.335 . . . . 0.0 110.847 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 723' ' ' ILE . . . . . 0.728 HD13 ' HG3' ' A' ' 619' ' ' GLU . 31.3 mt -106.59 116.3 59.22 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.58 0.705 . . . . 0.0 111.128 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 724' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.76 -38.08 8.28 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.671 2.247 . . . . 0.0 112.331 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 725' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -85.14 39.42 0.77 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.858 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 726' ' ' PHE . . . . . 0.426 ' CZ ' HG11 ' A' ' 620' ' ' VAL . 4.2 t80 -57.4 -48.78 78.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.883 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 727' ' ' GLY . . . . . . . . . . . . . . . 155.88 173.4 24.45 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.486 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 728' ' ' THR . . . . . . . . . . . . . 7.5 m -114.82 152.85 31.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.803 0.335 . . . . 0.0 111.154 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 729' ' ' VAL . . . . . . . . . . . . . 7.6 p -108.83 141.39 24.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.114 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -112.09 107.24 16.1 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 731' ' ' TYR . . . . . . . . . . . . . 5.3 p90 -125.08 177.41 6.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.954 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 732' ' ' TRP . . . . . 0.59 ' CZ2' ' HB2' ' A' ' 734' ' ' ARG . 24.6 t90 -156.39 128.78 7.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.937 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 733' ' ' PHE . . . . . 0.645 ' CE1' ' CD1' ' A' ' 700' ' ' PHE . 30.3 p90 -128.67 153.28 47.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.869 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 734' ' ' ARG . . . . . 0.59 ' HB2' ' CZ2' ' A' ' 732' ' ' TRP . 0.0 OUTLIER -145.52 121.19 10.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.855 -179.874 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 735' ' ' LEU . . . . . . . . . . . . . 41.8 tp -118.7 112.64 20.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.907 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 736' ' ' ARG . . . . . . . . . . . . . 39.1 mtp180 -154.97 152.13 29.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 737' ' ' VAL . . . . . 0.404 HG11 ' OE1' ' A' ' 601' ' ' GLU . 9.0 p -49.15 137.7 4.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.139 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 738' ' ' SER . . . . . . . . . . . . . 14.4 t -101.29 136.17 41.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.857 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 739' ' ' GLY . . . . . . . . . . . . . . . -50.75 145.25 10.66 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.472 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 740' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 148.31 64.84 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.65 2.234 . . . . 0.0 112.395 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 41.1 t -161.81 151.89 16.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.877 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 60.4 p -167.88 105.15 0.5 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 743' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.501 -179.944 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 588' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 1.1 t -83.0 138.59 33.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.867 0.365 . . . . 0.0 110.85 -179.74 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 590' ' ' SER . . . . . . . . . . . . . 3.7 t -69.62 -50.13 47.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.874 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 591' ' ' GLY . . . . . . . . . . . . . . . -139.9 116.54 1.21 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.478 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 98.7 p -75.14 135.99 41.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.833 0.349 . . . . 0.0 110.835 -179.7 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 3.2 m -65.35 -52.93 50.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.834 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 594' ' ' GLY . . . . . 0.407 ' O ' ' CG ' ' A' ' 595' ' ' ASP . . . 137.94 92.12 0.27 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.482 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 595' ' ' ASP . . . . . 0.407 ' CG ' ' O ' ' A' ' 594' ' ' GLY . 40.1 m-20 -161.11 158.14 27.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.775 0.322 . . . . 0.0 110.897 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 596' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -87.5 79.88 8.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.878 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 597' ' ' THR . . . . . . . . . . . . . 33.0 p -127.67 108.03 10.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.154 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 598' ' ' ILE . . . . . . . . . . . . . 10.0 mm -107.77 65.4 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.108 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 599' ' ' HIS . . . . . 0.408 ' O ' ' CG ' ' A' ' 599' ' ' HIS . 0.2 OUTLIER -122.3 21.79 10.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.817 179.893 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 600' ' ' LEU . . . . . . . . . . . . . 5.9 mp -102.38 179.39 4.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 601' ' ' GLU . . . . . 0.445 ' O ' ' C ' ' A' ' 602' ' ' ARG . 12.7 pt-20 -75.07 153.95 38.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 602' ' ' ARG . . . . . 0.559 ' O ' HG23 ' A' ' 737' ' ' VAL . 0.4 OUTLIER -34.81 112.11 0.14 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.85 -179.897 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 603' ' ' GLY . . . . . . . . . . . . . . . -38.58 -62.74 1.09 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.49 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 604' ' ' GLU . . . . . . . . . . . . . 24.0 pm0 -41.03 149.04 0.1 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.867 0.365 . . . . 0.0 110.907 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 605' ' ' ASN . . . . . . . . . . . . . 19.4 m-80 -132.4 168.28 18.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.899 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 606' ' ' LEU . . . . . 0.606 HD23 ' N ' ' A' ' 607' ' ' PHE . 2.9 tt -138.83 128.79 25.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.943 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 607' ' ' PHE . . . . . 0.606 ' N ' HD23 ' A' ' 606' ' ' LEU . 12.3 t80 -112.57 115.37 28.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 608' ' ' GLU . . . . . 0.463 ' CD ' HD22 ' A' ' 606' ' ' LEU . 20.1 mp0 -103.89 149.39 25.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.894 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 609' ' ' ILE . . . . . 0.541 HD11 ' CE2' ' A' ' 607' ' ' PHE . 87.7 mt -148.78 114.02 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.129 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 610' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -120.17 143.02 48.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.814 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 17.0 mm -107.12 126.57 63.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.108 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 612' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -75.79 -67.05 0.71 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.903 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 613' ' ' LYS . . . . . . . . . . . . . 17.4 pttt -170.61 178.84 3.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.89 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 614' ' ' VAL . . . . . . . . . . . . . 88.0 t -126.46 112.2 28.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.147 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 615' ' ' THR . . . . . . . . . . . . . 25.9 m -87.5 140.18 29.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.177 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 616' ' ' PHE . . . . . 0.522 ' CD1' HG11 ' A' ' 620' ' ' VAL . 18.3 m-85 -110.64 157.99 19.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.942 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 1.3 t -112.98 172.82 6.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 618' ' ' SER . . . . . . . . . . . . . 23.4 p -49.18 -57.29 6.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.855 -179.812 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 619' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -45.29 -36.19 3.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.899 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 620' ' ' VAL . . . . . 0.62 HG21 ' O ' ' A' ' 726' ' ' PHE . 5.6 t -77.71 -41.67 28.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.13 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 621' ' ' LEU . . . . . . . . . . . . . 93.0 mt -61.97 -46.61 88.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 622' ' ' GLN . . . . . . . . . . . . . 60.8 mt-30 -56.64 -40.34 75.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.953 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -50.24 -29.62 9.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.058 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 2.7 t -134.19 -164.7 1.54 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.849 -179.771 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 625' ' ' GLY . . . . . . . . . . . . . . . -117.22 -140.94 6.79 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.523 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 626' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -101.81 34.62 2.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.901 0.381 . . . . 0.0 110.871 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 627' ' ' LYS . . . . . 0.457 ' O ' ' C ' ' A' ' 628' ' ' GLU . 9.1 pttp -100.57 107.95 19.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 628' ' ' GLU . . . . . 0.457 ' C ' ' O ' ' A' ' 627' ' ' LYS . 51.0 mt-10 -33.55 96.65 0.1 Allowed Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.64 0.733 . . . . 0.0 110.908 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 629' ' ' PRO . . . . . 0.506 ' CD ' HD22 ' A' ' 651' ' ' LEU . 54.0 Cg_endo -69.73 113.52 3.4 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.701 2.267 . . . . 0.0 112.355 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 630' ' ' VAL . . . . . 0.644 HG22 ' HG2' ' A' ' 649' ' ' ARG . 10.7 t -80.07 116.02 23.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.146 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 631' ' ' THR . . . . . 0.703 ' O ' HG23 ' A' ' 647' ' ' VAL . 33.8 p -144.38 175.07 10.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.14 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 632' ' ' PHE . . . . . . . . . . . . . 27.7 p90 -167.54 152.0 6.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.868 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 633' ' ' CYS . . . . . . . . . . . . . 63.4 m -95.09 152.49 18.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 634' ' ' THR . . . . . . . . . . . . . 2.5 p -150.08 128.89 12.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.16 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 635' ' ' TYR . . . . . 0.503 ' CD1' HD12 ' A' ' 680' ' ' LEU . 15.2 p90 -168.83 165.72 11.66 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.911 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 636' ' ' ALA . . . . . 0.498 ' HB2' HD22 ' A' ' 642' ' ' LEU . . . -130.05 153.73 48.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.137 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 637' ' ' PHE . . . . . 0.483 ' CD1' ' HB2' ' A' ' 638' ' ' TYR . 39.4 t80 -127.42 134.68 49.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.836 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 638' ' ' TYR . . . . . 0.567 ' HB3' ' CD2' ' A' ' 640' ' ' PHE . 4.2 t80 63.45 28.87 15.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.922 -179.867 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 639' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 59.01 34.58 23.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.888 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 640' ' ' PHE . . . . . 0.567 ' CD2' ' HB3' ' A' ' 638' ' ' TYR . 10.2 m-85 -94.37 174.67 7.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -48.76 129.99 17.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.868 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 642' ' ' LEU . . . . . 0.498 HD22 ' HB2' ' A' ' 636' ' ' ALA . 0.6 OUTLIER -57.95 110.6 0.95 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.9 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 643' ' ' GLN . . . . . . . . . . . . . 2.9 tp60 -79.53 125.15 29.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 644' ' ' THR . . . . . . . . . . . . . 50.0 m -100.04 130.17 46.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.116 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 645' ' ' THR . . . . . . . . . . . . . 57.7 p -89.23 152.8 48.33 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.584 0.706 . . . . 0.0 111.102 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 646' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 115.79 4.25 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.692 2.262 . . . . 0.0 112.387 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 647' ' ' VAL . . . . . 0.703 HG23 ' O ' ' A' ' 631' ' ' THR . 7.4 p -71.05 141.64 16.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.138 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 57.8 t -138.02 140.78 39.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.103 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 649' ' ' ARG . . . . . 0.644 ' HG2' HG22 ' A' ' 630' ' ' VAL . 40.7 mtm180 -85.55 124.77 32.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.847 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 650' ' ' GLY . . . . . 0.402 ' N ' ' HB3' ' A' ' 628' ' ' GLU . . . 147.27 159.18 8.2 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.481 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 651' ' ' LEU . . . . . 0.506 HD22 ' CD ' ' A' ' 629' ' ' PRO . 4.1 mm? -64.36 -59.44 4.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.888 0.375 . . . . 0.0 110.916 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 652' ' ' HIS . . . . . . . . . . . . . 1.6 m80 -113.33 80.99 4.79 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.615 0.721 . . . . 0.0 110.875 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 653' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 161.91 44.11 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.682 2.255 . . . . 0.0 112.354 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -125.66 75.02 1.45 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.896 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 655' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -45.35 -62.39 1.29 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.91 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 6.1 m120 61.86 35.68 16.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.893 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 657' ' ' PHE . . . . . . . . . . . . . 11.5 t80 -95.1 146.22 24.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 13.5 m -121.39 144.76 48.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.155 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 17.0 m -117.83 149.31 41.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.825 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -153.05 128.89 10.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.921 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 661' ' ' TYR . . . . . . . . . . . . . 75.2 m-85 -154.34 135.65 14.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.955 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 662' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -78.91 109.96 13.67 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.939 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 663' ' ' VAL . . . . . 0.535 HG23 ' O ' ' A' ' 663' ' ' VAL . 25.6 m -128.36 119.96 51.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.149 179.824 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 664' ' ' HIS . . . . . . . . . . . . . 17.3 t60 -98.68 98.33 9.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 665' ' ' VAL . . . . . . . . . . . . . 2.5 p -175.11 137.67 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.14 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 666' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -132.55 -69.35 0.58 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 667' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -46.06 -42.71 13.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 72.6 mt -84.85 -14.87 46.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.927 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 669' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -77.55 -25.32 50.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.916 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 670' ' ' LEU . . . . . . . . . . . . . 24.8 mt -84.75 -67.94 0.76 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.901 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 671' ' ' GLN . . . . . . . . . . . . . 20.5 pt20 -45.27 -25.91 0.44 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.925 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 672' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -71.13 -41.24 70.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 673' ' ' ILE . . . . . 0.562 HD13 HG21 ' A' ' 703' ' ' ILE . 97.1 mt -68.12 -27.62 37.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.139 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 674' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 -86.02 -54.24 4.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 675' ' ' LYS . . . . . . . . . . . . . 26.8 mtpp -58.32 -70.3 0.15 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 676' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -104.11 170.27 8.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.927 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 10.3 p -139.88 172.13 13.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.176 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 678' ' ' ILE . . . . . 0.473 ' O ' ' N ' ' A' ' 698' ' ' LEU . 5.2 mp -89.31 142.93 12.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.156 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 22.0 m -116.3 101.2 8.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.154 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 680' ' ' LEU . . . . . 0.591 HD13 HD11 ' A' ' 698' ' ' LEU . 4.9 tt -109.62 116.31 31.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 681' ' ' GLU . . . . . 0.452 ' HB2' ' CE1' ' A' ' 683' ' ' HIS . 9.3 mt-10 -110.99 158.8 18.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 682' ' ' VAL . . . . . . . . . . . . . 64.1 t -122.09 98.24 5.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.17 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 683' ' ' HIS . . . . . 0.687 ' ND1' HG23 ' A' ' 692' ' ' THR . 2.9 m-70 -93.35 149.63 21.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.84 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 684' ' ' GLN . . . . . 0.423 ' HA ' HG22 ' A' ' 631' ' ' THR . 15.5 mt-30 -90.03 159.56 16.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -123.67 102.49 7.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.146 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 686' ' ' TYR . . . . . 0.433 ' O ' ' C ' ' A' ' 687' ' ' SER . 1.9 m-85 -101.23 168.33 9.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.973 -179.874 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 687' ' ' SER . . . . . 0.501 ' O ' ' CG2' ' A' ' 688' ' ' THR . 3.9 m -35.29 100.25 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 688' ' ' THR . . . . . 0.501 ' CG2' ' O ' ' A' ' 687' ' ' SER . 8.1 t 44.6 48.78 8.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.135 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 689' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -139.76 159.42 42.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.919 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 690' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -147.44 117.54 7.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.957 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 691' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -149.25 150.99 33.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 692' ' ' THR . . . . . 0.687 HG23 ' ND1' ' A' ' 683' ' ' HIS . 27.6 m -92.14 140.27 29.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.159 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 693' ' ' ILE . . . . . 0.471 HG13 ' N ' ' A' ' 694' ' ' ALA . 6.5 pt -129.53 -32.05 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.066 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 694' ' ' ALA . . . . . 0.471 ' N ' HG13 ' A' ' 693' ' ' ILE . . . -124.81 155.02 40.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.104 179.823 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 695' ' ' ALA . . . . . 0.437 ' CB ' ' HG2' ' A' ' 681' ' ' GLU . . . -161.14 124.95 3.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.067 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 696' ' ' CYS . . . . . 0.526 ' HB3' HD23 ' A' ' 716' ' ' LEU . 11.8 p -143.05 165.57 27.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.836 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 697' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -114.05 118.52 34.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 698' ' ' LEU . . . . . 0.591 HD11 HD13 ' A' ' 680' ' ' LEU . 21.2 mt -80.15 116.91 20.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 699' ' ' LYS . . . . . . . . . . . . . 8.0 ptpt -138.99 132.28 29.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.868 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 700' ' ' PHE . . . . . 0.533 ' HB3' ' CZ ' ' A' ' 733' ' ' PHE . 2.5 m-85 -106.81 124.88 50.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.869 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 701' ' ' HIS . . . . . . . . . . . . . 28.4 m-70 -88.42 -66.53 0.91 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.858 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 702' ' ' GLU . . . . . 0.704 ' CB ' HG21 ' A' ' 710' ' ' ILE . 5.0 mp0 -48.71 -32.66 8.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.85 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 703' ' ' ILE . . . . . 0.562 HG21 HD13 ' A' ' 673' ' ' ILE . 0.1 OUTLIER -47.65 -37.33 5.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.146 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 704' ' ' LEU . . . . . 0.521 HD21 ' CG2' ' A' ' 673' ' ' ILE . 10.7 mt -69.85 -51.46 33.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 179.854 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 705' ' ' GLU . . . . . 0.453 ' HG3' ' N ' ' A' ' 706' ' ' LYS . 4.0 tp10 -73.1 -62.99 1.27 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.895 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 706' ' ' LYS . . . . . 0.466 ' HG3' ' CD1' ' A' ' 710' ' ' ILE . 9.3 ptmt -105.39 161.56 14.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.877 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 707' ' ' SER . . . . . . . . . . . . . 3.2 m -141.94 151.61 42.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 708' ' ' GLY . . . . . . . . . . . . . . . 116.84 -108.51 1.76 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.502 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 709' ' ' ARG . . . . . . . . . . . . . 1.8 ptt180 -104.06 92.03 4.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.849 0.356 . . . . 0.0 110.878 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 710' ' ' ILE . . . . . 0.704 HG21 ' CB ' ' A' ' 702' ' ' GLU . 11.9 mt -124.24 121.4 61.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.117 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 711' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -80.35 127.66 32.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 712' ' ' CYS . . . . . . . . . . . . . 3.5 m -149.45 169.72 20.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 713' ' ' THR . . . . . . . . . . . . . 21.9 p -150.35 166.41 30.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.173 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 714' ' ' ALA . . . . . . . . . . . . . . . -132.03 143.52 50.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.121 179.828 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 715' ' ' SER . . . . . . . . . . . . . 89.1 p -91.11 148.83 22.1 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.851 -179.762 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 716' ' ' LEU . . . . . 0.526 HD23 ' HB3' ' A' ' 696' ' ' CYS . 48.4 mt -110.52 143.88 40.2 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.902 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 717' ' ' ILE . . . . . 0.448 HD12 ' C ' ' A' ' 716' ' ' LEU . 4.9 mp -134.75 118.32 25.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.123 179.822 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 718' ' ' GLY . . . . . . . . . . . . . . . -57.05 145.95 36.8 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.44 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 719' ' ' THR . . . . . . . . . . . . . 14.1 p -71.57 -73.64 0.18 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.821 0.343 . . . . 0.0 111.11 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 720' ' ' LYS . . . . . . . . . . . . . 8.3 pttt -77.81 -47.49 18.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.903 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 721' ' ' GLY . . . . . . . . . . . . . . . -60.11 -35.81 88.67 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.491 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 722' ' ' ASP . . . . . . . . . . . . . 7.9 t0 65.67 50.4 1.61 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.841 0.353 . . . . 0.0 110.888 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 723' ' ' ILE . . . . . 0.485 HG22 ' N ' ' A' ' 726' ' ' PHE . 91.5 mt -99.63 107.2 44.55 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.624 0.726 . . . . 0.0 111.146 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 724' ' ' PRO . . . . . 0.424 ' HD2' ' HA ' ' A' ' 723' ' ' ILE . 53.5 Cg_endo -69.82 -27.28 26.39 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.663 2.242 . . . . 0.0 112.293 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 725' ' ' ASN . . . . . . . . . . . . . 55.6 m-20 -101.18 25.64 7.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.856 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 726' ' ' PHE . . . . . 0.62 ' O ' HG21 ' A' ' 620' ' ' VAL . 20.8 t80 -51.44 -35.89 41.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.904 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 727' ' ' GLY . . . . . . . . . . . . . . . 155.24 167.87 17.54 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.496 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 728' ' ' THR . . . . . . . . . . . . . 1.6 m -121.19 147.12 46.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.814 0.34 . . . . 0.0 111.171 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 729' ' ' VAL . . . . . . . . . . . . . 13.9 p -108.2 142.3 21.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.147 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -109.13 136.62 48.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 731' ' ' TYR . . . . . . . . . . . . . 5.3 p90 -164.73 169.09 17.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 732' ' ' TRP . . . . . . . . . . . . . 32.9 p-90 -147.24 128.0 14.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.917 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 733' ' ' PHE . . . . . 0.533 ' CZ ' ' HB3' ' A' ' 700' ' ' PHE . 23.3 p90 -109.78 157.84 18.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.893 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 734' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.21 124.78 5.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.868 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 735' ' ' LEU . . . . . . . . . . . . . 34.5 tp -119.55 113.92 21.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.95 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 736' ' ' ARG . . . . . . . . . . . . . 19.2 mtm180 -143.42 163.94 31.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.91 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 737' ' ' VAL . . . . . 0.559 HG23 ' O ' ' A' ' 602' ' ' ARG . 11.9 p -61.52 144.4 13.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.144 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 738' ' ' SER . . . . . . . . . . . . . 24.5 t -134.03 152.56 51.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.829 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 739' ' ' GLY . . . . . . . . . . . . . . . -176.81 166.24 36.89 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.458 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 740' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 174.12 9.96 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.644 2.229 . . . . 0.0 112.385 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 82.9 p -166.74 156.44 11.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.837 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 43.9 p -144.37 149.76 36.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.87 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 743' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.474 -179.996 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 604' ' ' GLU . . . . . 0.603 ' HB3' HD21 ' A' ' 662' ' ' LEU . 21.0 mm-40 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.809 0.338 . . . . 0.0 110.871 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 605' ' ' ASN . . . . . . . . . . . . . 88.7 m-20 -120.5 131.63 54.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.92 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 606' ' ' LEU . . . . . . . . . . . . . 6.0 tp -110.45 119.16 38.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.946 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 607' ' ' PHE . . . . . 0.514 ' HE1' HD11 ' A' ' 609' ' ' ILE . 12.4 t80 -99.5 108.27 20.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.875 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 608' ' ' GLU . . . . . 0.402 ' HG2' ' CB ' ' A' ' 660' ' ' GLN . 3.5 mt-10 -109.88 147.72 32.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 609' ' ' ILE . . . . . 0.514 HD11 ' HE1' ' A' ' 607' ' ' PHE . 69.5 mt -139.31 109.11 3.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.113 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 610' ' ' HIS . . . . . 0.433 ' HB3' ' CE2' ' A' ' 732' ' ' TRP . 0.3 OUTLIER -108.19 118.7 37.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 179.883 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 12.6 mm -97.52 114.91 35.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.115 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 612' ' ' ASN . . . . . 0.412 ' CG ' ' HD3' ' A' ' 613' ' ' LYS . 33.4 t-20 -63.26 -67.72 0.4 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.882 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 613' ' ' LYS . . . . . 0.412 ' HD3' ' CG ' ' A' ' 612' ' ' ASN . 0.0 OUTLIER -170.17 178.65 3.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.898 179.93 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 614' ' ' VAL . . . . . 0.448 HG23 ' HE2' ' A' ' 655' ' ' TYR . 75.6 t -124.46 118.11 52.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.106 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 615' ' ' THR . . . . . 0.436 HG22 ' N ' ' A' ' 616' ' ' PHE . 7.4 m -91.15 159.2 16.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.15 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 616' ' ' PHE . . . . . 0.48 ' CG ' HG11 ' A' ' 620' ' ' VAL . 21.7 m-85 -126.56 166.4 17.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.883 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 1.1 t -100.91 157.94 16.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.873 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 618' ' ' SER . . . . . 0.509 ' HA ' HD12 ' A' ' 621' ' ' LEU . 94.4 p -43.05 -28.66 0.29 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.9 -179.826 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 619' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -72.02 -50.97 24.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.886 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 620' ' ' VAL . . . . . 0.48 HG11 ' CG ' ' A' ' 616' ' ' PHE . 4.7 t -67.81 -36.26 75.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.127 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 621' ' ' LEU . . . . . 0.509 HD12 ' HA ' ' A' ' 618' ' ' SER . 88.7 mt -56.23 -47.03 79.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.851 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 622' ' ' GLN . . . . . . . . . . . . . 55.7 mm-40 -79.69 -48.54 13.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.881 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -47.85 -30.65 4.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.087 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 2.7 t -42.44 -71.41 0.08 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 625' ' ' GLY . . . . . . . . . . . . . . . 137.09 30.0 0.28 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.463 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 626' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 53.41 30.23 10.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.951 0.405 . . . . 0.0 110.874 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 29.4 mtmm -142.11 125.32 16.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 628' ' ' GLU . . . . . 0.405 ' HA ' ' HD2' ' A' ' 629' ' ' PRO . 13.7 mt-10 -37.93 99.8 0.19 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.613 0.72 . . . . 0.0 110.879 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 629' ' ' PRO . . . . . 0.599 ' HD2' HD22 ' A' ' 651' ' ' LEU . 53.8 Cg_endo -69.73 131.7 21.83 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.74 2.293 . . . . 0.0 112.37 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 630' ' ' VAL . . . . . . . . . . . . . 2.4 t -109.37 120.54 60.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.161 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 631' ' ' THR . . . . . . . . . . . . . 9.7 p -139.14 167.67 21.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.172 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 632' ' ' PHE . . . . . 0.641 ' HE1' ' HB2' ' A' ' 685' ' ' ALA . 45.3 p90 -153.05 145.16 23.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.886 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 633' ' ' CYS . . . . . 0.69 ' SG ' HG21 ' A' ' 645' ' ' THR . 0.5 OUTLIER -109.46 163.65 13.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.88 -179.921 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 634' ' ' THR . . . . . . . . . . . . . 43.6 p -149.03 153.79 38.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.14 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 635' ' ' TYR . . . . . 0.414 ' CD1' ' C ' ' A' ' 635' ' ' TYR . 5.3 p90 -166.77 165.99 16.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.931 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 636' ' ' ALA . . . . . 0.784 ' HB2' HD12 ' A' ' 642' ' ' LEU . . . -143.75 133.96 24.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.109 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 637' ' ' PHE . . . . . 0.571 ' CD2' ' HB2' ' A' ' 638' ' ' TYR . 63.3 t80 -110.33 149.17 30.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.862 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 638' ' ' TYR . . . . . 0.571 ' HB2' ' CD2' ' A' ' 637' ' ' PHE . 3.3 t80 46.97 33.74 2.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 639' ' ' ASP . . . . . . . . . . . . . 7.5 t0 53.1 40.72 31.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.875 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 640' ' ' PHE . . . . . 0.445 ' CD2' ' HB3' ' A' ' 638' ' ' TYR . 5.5 m-85 -95.25 -174.98 3.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.866 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -61.34 127.18 30.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.862 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 642' ' ' LEU . . . . . 0.784 HD12 ' HB2' ' A' ' 636' ' ' ALA . 3.4 tp -65.54 141.88 58.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.931 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 643' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -114.5 132.69 56.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 644' ' ' THR . . . . . . . . . . . . . 59.9 m -95.11 118.13 31.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.11 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 645' ' ' THR . . . . . 0.69 HG21 ' SG ' ' A' ' 633' ' ' CYS . 46.8 p -58.0 153.27 35.07 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.562 0.696 . . . . 0.0 111.169 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 646' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 121.62 8.3 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.713 2.275 . . . . 0.0 112.324 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 647' ' ' VAL . . . . . . . . . . . . . 26.4 t -69.04 134.38 30.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.119 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 24.2 t -148.65 141.41 18.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.114 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 649' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -90.68 147.39 23.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.837 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 650' ' ' GLY . . . . . . . . . . . . . . . 135.52 -176.74 19.93 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.462 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 651' ' ' LEU . . . . . 0.599 HD22 ' HD2' ' A' ' 629' ' ' PRO . 4.2 mm? -94.81 -47.42 6.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.879 0.371 . . . . 0.0 110.964 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 652' ' ' HIS . . . . . 0.532 ' CD2' ' HB3' ' A' ' 651' ' ' LEU . 0.6 OUTLIER -129.45 70.05 81.62 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.574 0.702 . . . . 0.0 110.848 179.846 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 653' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 165.42 30.97 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.672 2.248 . . . . 0.0 112.373 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -117.09 80.14 1.44 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 655' ' ' TYR . . . . . 0.448 ' HE2' HG23 ' A' ' 614' ' ' VAL . 66.8 m-85 -40.51 -37.82 0.76 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.88 -179.84 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 44.64 38.49 2.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.874 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 657' ' ' PHE . . . . . . . . . . . . . 56.5 t80 -96.2 130.23 43.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 13.6 m -126.78 107.47 10.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.139 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 1.3 t -106.56 137.18 45.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 660' ' ' GLN . . . . . 0.402 ' CB ' ' HG2' ' A' ' 608' ' ' GLU . 3.8 pt20 -147.13 145.24 29.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.895 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 661' ' ' TYR . . . . . 0.528 ' CE1' ' CD2' ' A' ' 637' ' ' PHE . 0.6 OUTLIER -149.09 128.36 12.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.932 -179.897 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 662' ' ' LEU . . . . . 0.603 HD21 ' HB3' ' A' ' 604' ' ' GLU . 2.2 tm? -72.86 99.29 2.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.909 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 663' ' ' VAL . . . . . . . . . . . . . 10.2 m -115.76 131.92 66.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.116 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 664' ' ' HIS . . . . . 0.522 ' CG ' ' O ' ' A' ' 664' ' ' HIS . 5.0 p80 -100.72 107.1 18.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.853 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 665' ' ' VAL . . . . . 0.625 HG13 ' HD2' ' A' ' 669' ' ' PHE . 7.6 p -174.58 136.42 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.158 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 666' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -124.43 -68.76 0.84 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.915 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 667' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -56.74 -57.03 14.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.882 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 22.1 mt -62.75 -17.47 61.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 669' ' ' PHE . . . . . 0.625 ' HD2' HG13 ' A' ' 665' ' ' VAL . 1.7 t80 -70.96 -63.19 1.15 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 670' ' ' LEU . . . . . . . . . . . . . 86.2 mt -54.02 -50.48 66.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.908 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 671' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -51.65 -42.23 61.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.916 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 672' ' ' TYR . . . . . 0.463 ' CD1' ' C ' ' A' ' 672' ' ' TYR . 1.7 t80 -60.31 -47.88 84.14 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.899 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 673' ' ' ILE . . . . . 0.41 HD12 HG21 ' A' ' 703' ' ' ILE . 7.5 mm -48.92 -33.03 5.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.147 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 674' ' ' GLN . . . . . 0.527 ' HG2' HD21 ' A' ' 704' ' ' LEU . 20.9 mm100 -90.47 -62.8 1.38 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.923 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 675' ' ' LYS . . . . . . . . . . . . . 39.5 mtpt -38.34 -48.67 1.36 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.917 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 676' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -147.95 145.82 28.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.848 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 77.0 p -111.79 175.48 5.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.128 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 678' ' ' ILE . . . . . 0.431 ' O ' ' N ' ' A' ' 698' ' ' LEU . 4.8 mp -87.86 133.66 29.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.134 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 63.1 m -109.04 107.4 17.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.155 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 680' ' ' LEU . . . . . 0.702 ' O ' HD23 ' A' ' 680' ' ' LEU . 7.4 tt -114.31 101.68 9.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.902 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 681' ' ' GLU . . . . . 0.473 ' HG2' ' CB ' ' A' ' 695' ' ' ALA . 7.9 mt-10 -95.97 147.56 23.56 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 682' ' ' VAL . . . . . . . . . . . . . 77.0 t -109.18 106.1 20.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.139 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 683' ' ' HIS . . . . . 0.638 ' NE2' ' CE2' ' A' ' 632' ' ' PHE . 0.3 OUTLIER -104.89 147.3 27.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.86 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 684' ' ' GLN . . . . . 0.453 ' HB3' ' CE1' ' A' ' 686' ' ' TYR . 5.3 tt0 -86.75 123.83 32.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.903 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 685' ' ' ALA . . . . . 0.641 ' HB2' ' HE1' ' A' ' 632' ' ' PHE . . . -95.8 104.93 16.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.115 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 686' ' ' TYR . . . . . 0.453 ' CE1' ' HB3' ' A' ' 684' ' ' GLN . 6.2 m-85 -89.67 164.41 14.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.928 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 687' ' ' SER . . . . . . . . . . . . . 94.3 p -77.74 5.91 8.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.896 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 688' ' ' THR . . . . . . . . . . . . . 2.4 p -131.59 -53.9 1.01 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.135 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 689' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -130.54 178.33 6.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 690' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -141.72 124.89 16.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 691' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -141.71 155.12 45.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.886 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 692' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -90.03 143.25 26.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.125 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 693' ' ' ILE . . . . . 0.568 HD13 ' H ' ' A' ' 693' ' ' ILE . 0.3 OUTLIER -132.86 -1.2 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.163 179.911 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -153.25 151.54 30.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.095 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 695' ' ' ALA . . . . . 0.473 ' CB ' ' HG2' ' A' ' 681' ' ' GLU . . . -160.37 125.86 3.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.08 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 696' ' ' CYS . . . . . 0.41 ' SG ' HD23 ' A' ' 716' ' ' LEU . 8.1 p -132.12 171.46 13.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.913 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 697' ' ' GLN . . . . . . . . . . . . . 11.4 mm100 -112.36 111.46 22.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.935 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 698' ' ' LEU . . . . . 0.431 ' N ' ' O ' ' A' ' 678' ' ' ILE . 9.7 mt -85.23 113.24 21.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.891 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 699' ' ' LYS . . . . . . . . . . . . . 7.3 ptpp? -146.2 144.38 29.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 700' ' ' PHE . . . . . 0.471 ' CD1' ' CD1' ' A' ' 733' ' ' PHE . 3.7 m-85 -111.08 124.89 53.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 701' ' ' HIS . . . . . . . . . . . . . 6.5 m80 -88.99 -51.09 5.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.831 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 702' ' ' GLU . . . . . 0.738 ' CB ' HG21 ' A' ' 710' ' ' ILE . 1.4 mp0 -50.27 -43.12 53.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.898 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 703' ' ' ILE . . . . . 0.41 HG21 HD12 ' A' ' 673' ' ' ILE . 9.9 tt -48.13 -27.06 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.116 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 704' ' ' LEU . . . . . 0.527 HD21 ' HG2' ' A' ' 674' ' ' GLN . 12.8 mt -65.32 -36.07 82.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 705' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -107.26 -59.08 1.87 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.884 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 706' ' ' LYS . . . . . . . . . . . . . 13.0 mttt -87.54 179.47 6.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.903 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 707' ' ' SER . . . . . . . . . . . . . 5.1 m -159.48 115.8 2.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 708' ' ' GLY . . . . . . . . . . . . . . . 143.88 -149.11 21.11 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.526 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 709' ' ' ARG . . . . . . . . . . . . . 26.3 ttt180 -70.71 84.79 0.64 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.814 0.34 . . . . 0.0 110.877 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 710' ' ' ILE . . . . . 0.738 HG21 ' CB ' ' A' ' 702' ' ' GLU . 12.6 mt -107.49 96.65 4.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.149 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 711' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -52.16 133.3 33.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.938 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 712' ' ' CYS . . . . . . . . . . . . . 2.2 t -159.39 166.98 29.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 713' ' ' THR . . . . . . . . . . . . . 16.6 p -145.2 166.81 24.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.168 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 714' ' ' ALA . . . . . 0.471 ' HB3' ' CG1' ' A' ' 729' ' ' VAL . . . -137.98 145.74 42.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.094 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 715' ' ' SER . . . . . . . . . . . . . 77.9 p -93.87 154.59 17.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.88 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 716' ' ' LEU . . . . . 0.41 HD23 ' SG ' ' A' ' 696' ' ' CYS . 17.1 mt -119.85 135.15 54.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 717' ' ' ILE . . . . . . . . . . . . . 3.8 mp -122.45 140.85 45.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.165 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 718' ' ' GLY . . . . . . . . . . . . . . . -75.94 134.88 16.81 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.471 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 719' ' ' THR . . . . . . . . . . . . . 77.7 p -68.88 -58.56 3.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.807 0.337 . . . . 0.0 111.122 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 720' ' ' LYS . . . . . 0.416 ' O ' ' CG ' ' A' ' 722' ' ' ASP . 2.2 mtmp? -88.89 -65.72 0.99 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.94 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 721' ' ' GLY . . . . . . . . . . . . . . . -45.93 -23.69 1.13 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.507 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 722' ' ' ASP . . . . . 0.416 ' CG ' ' O ' ' A' ' 720' ' ' LYS . 18.1 m-20 58.22 47.31 14.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.79 0.329 . . . . 0.0 110.87 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 723' ' ' ILE . . . . . 0.405 ' HA ' ' HD2' ' A' ' 724' ' ' PRO . 56.9 mt -98.0 106.83 37.1 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.65 0.738 . . . . 0.0 111.086 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 724' ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' A' ' 723' ' ' ILE . 54.1 Cg_endo -69.78 -16.23 37.36 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.709 2.273 . . . . 0.0 112.34 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 725' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -112.67 44.31 1.5 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.861 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 726' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -62.11 -52.58 63.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.869 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 727' ' ' GLY . . . . . . . . . . . . . . . 167.33 167.78 28.52 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.46 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 728' ' ' THR . . . . . . . . . . . . . 3.6 m -114.64 146.4 40.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.852 0.358 . . . . 0.0 111.155 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 729' ' ' VAL . . . . . 0.471 ' CG1' ' HB3' ' A' ' 714' ' ' ALA . 14.5 p -106.43 137.37 37.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.154 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -107.16 108.19 19.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 731' ' ' TYR . . . . . 0.422 ' CD1' ' C ' ' A' ' 731' ' ' TYR . 7.3 p90 -144.08 170.15 16.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.95 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 732' ' ' TRP . . . . . 0.433 ' CE2' ' HB3' ' A' ' 610' ' ' HIS . 64.5 p-90 -152.38 139.55 19.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.893 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 733' ' ' PHE . . . . . 0.471 ' CD1' ' CD1' ' A' ' 700' ' ' PHE . 10.3 p90 -113.38 161.99 16.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.909 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 734' ' ' ARG . . . . . 0.407 ' C ' ' HD3' ' A' ' 734' ' ' ARG . 0.0 OUTLIER -155.39 136.06 13.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 -179.916 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 735' ' ' LEU . . . . . . . . . . . . . 35.2 tp -138.59 105.25 5.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.938 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 736' ' ' ARG . . . . . . . . . . . . . 40.7 ttt85 -145.8 166.15 26.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 737' ' ' VAL . . . . . 0.581 ' O ' HG13 ' A' ' 737' ' ' VAL . 7.1 p -65.06 108.28 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.151 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 738' ' ' SER . . . . . . . . . . . . . 3.2 t . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.82 -179.803 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 604' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.872 0.368 . . . . 0.0 110.886 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 605' ' ' ASN . . . . . . . . . . . . . 62.7 m-20 -126.71 155.72 42.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 606' ' ' LEU . . . . . 0.729 HD11 ' OE1' ' A' ' 660' ' ' GLN . 7.9 tp -128.96 107.67 9.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.922 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 607' ' ' PHE . . . . . 0.484 ' CD2' ' CZ ' ' A' ' 637' ' ' PHE . 18.4 t80 -87.87 105.94 17.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.865 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 608' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -96.61 118.01 32.19 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.903 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 609' ' ' ILE . . . . . 0.424 HD11 ' CE1' ' A' ' 637' ' ' PHE . 63.1 mt -112.29 109.72 29.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.127 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 610' ' ' HIS . . . . . 0.547 ' CE1' ' HA ' ' A' ' 656' ' ' ASN . 1.0 OUTLIER -120.29 129.89 54.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 179.855 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 25.7 mm -89.74 127.56 42.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.151 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 612' ' ' ASN . . . . . . . . . . . . . 53.2 m-20 -78.88 -66.06 0.91 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.926 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 613' ' ' LYS . . . . . . . . . . . . . 5.8 ptmt -161.06 178.9 8.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.913 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 614' ' ' VAL . . . . . 0.491 HG23 ' CE1' ' A' ' 655' ' ' TYR . 68.8 t -133.11 123.58 48.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.156 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 615' ' ' THR . . . . . 0.44 HG22 ' N ' ' A' ' 616' ' ' PHE . 25.1 m -97.98 157.25 16.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.073 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 616' ' ' PHE . . . . . 0.51 ' CD1' HG11 ' A' ' 620' ' ' VAL . 63.7 m-85 -133.03 161.3 34.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 617' ' ' SER . . . . . 0.429 ' O ' ' C ' ' A' ' 618' ' ' SER . 1.1 t -108.14 153.92 22.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.856 -179.808 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 618' ' ' SER . . . . . 0.612 ' HA ' HD12 ' A' ' 621' ' ' LEU . 28.9 m -34.39 -62.24 0.35 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.833 -179.811 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 619' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -38.81 -44.89 1.08 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.834 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 620' ' ' VAL . . . . . 0.51 HG11 ' CD1' ' A' ' 616' ' ' PHE . 7.1 t -76.69 -42.77 34.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.141 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 621' ' ' LEU . . . . . 0.612 HD12 ' HA ' ' A' ' 618' ' ' SER . 36.2 mt -54.31 -50.15 68.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.922 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 622' ' ' GLN . . . . . . . . . . . . . 48.2 mm-40 -70.19 -42.52 72.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.902 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -44.01 -45.67 7.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.101 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 71.4 m -57.19 -58.4 8.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.846 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 625' ' ' GLY . . . . . . . . . . . . . . . 104.93 -145.17 15.88 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.467 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 626' ' ' ASP . . . . . . . . . . . . . 39.3 t0 -91.08 41.55 1.07 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.885 0.374 . . . . 0.0 110.883 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 46.4 pttt -145.28 135.07 23.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.863 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 90.6 mt-10 -63.05 119.92 56.58 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.631 0.729 . . . . 0.0 110.826 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 629' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 126.08 12.88 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.655 2.236 . . . . 0.0 112.355 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 630' ' ' VAL . . . . . 0.519 HG12 HG21 ' A' ' 647' ' ' VAL . 23.6 t -117.39 111.64 35.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.101 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 631' ' ' THR . . . . . 0.886 HG22 ' HA ' ' A' ' 684' ' ' GLN . 53.0 p -142.16 164.44 30.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.151 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 632' ' ' PHE . . . . . . . . . . . . . 17.4 p90 -133.36 167.6 20.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.868 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 633' ' ' CYS . . . . . 0.45 ' HB3' HD11 ' A' ' 680' ' ' LEU . 77.8 m -115.46 130.23 56.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.905 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 634' ' ' THR . . . . . . . . . . . . . 11.4 p -123.12 136.82 54.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.102 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 635' ' ' TYR . . . . . 0.77 ' CD2' HD12 ' A' ' 680' ' ' LEU . 6.5 p90 -169.57 147.82 3.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 636' ' ' ALA . . . . . . . . . . . . . . . -105.36 160.15 15.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.077 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 637' ' ' PHE . . . . . 0.484 ' CZ ' ' CD2' ' A' ' 607' ' ' PHE . 4.2 t80 -105.8 156.45 18.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.842 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 638' ' ' TYR . . . . . 0.59 ' O ' ' CD2' ' A' ' 640' ' ' PHE . 3.3 t80 -34.4 100.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.952 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 639' ' ' ASP . . . . . 0.403 ' OD2' ' CE1' ' A' ' 638' ' ' TYR . 2.5 m-20 60.28 54.77 3.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.858 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 640' ' ' PHE . . . . . 0.62 ' HZ ' HG12 ' A' ' 663' ' ' VAL . 80.7 m-85 -144.53 149.65 36.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.856 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.6 149.57 48.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 642' ' ' LEU . . . . . . . . . . . . . 2.5 tp -59.17 136.59 58.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.909 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 643' ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 -116.76 125.76 52.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 644' ' ' THR . . . . . . . . . . . . . 61.0 m -85.25 134.57 34.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.155 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 645' ' ' THR . . . . . . . . . . . . . 37.3 p -91.93 153.57 43.5 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.586 0.708 . . . . 0.0 111.145 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 646' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 108.7 2.15 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.651 2.234 . . . . 0.0 112.333 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 647' ' ' VAL . . . . . 0.633 HG23 ' O ' ' A' ' 631' ' ' THR . 10.9 p -68.81 150.66 10.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.165 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 98.7 t -142.16 142.41 27.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.119 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 649' ' ' ARG . . . . . . . . . . . . . 60.2 mtt180 -84.98 129.3 34.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 650' ' ' GLY . . . . . . . . . . . . . . . 138.9 162.08 9.0 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.465 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 651' ' ' LEU . . . . . 0.471 ' HB3' ' CD2' ' A' ' 652' ' ' HIS . 4.2 mm? -68.06 -67.1 0.49 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.842 0.353 . . . . 0.0 110.918 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 652' ' ' HIS . . . . . 0.471 ' CD2' ' HB3' ' A' ' 651' ' ' LEU . 10.4 m-70 -113.46 64.97 1.08 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.598 0.714 . . . . 0.0 110.824 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 653' ' ' PRO . . . . . 0.417 ' HD3' ' C ' ' A' ' 651' ' ' LEU . 53.8 Cg_endo -69.76 178.06 4.95 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.691 2.261 . . . . 0.0 112.317 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -120.58 108.91 14.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.901 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 655' ' ' TYR . . . . . 0.491 ' CE1' HG23 ' A' ' 614' ' ' VAL . 47.3 m-85 -75.57 -48.49 22.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.952 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 656' ' ' ASN . . . . . 0.547 ' HA ' ' CE1' ' A' ' 610' ' ' HIS . 1.2 p-10 41.95 38.61 1.08 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.889 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 657' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -90.34 135.85 33.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 21.6 m -109.62 136.66 48.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.169 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 90.4 p -150.89 114.21 4.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.871 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 660' ' ' GLN . . . . . 0.729 ' OE1' HD11 ' A' ' 606' ' ' LEU . 3.2 pp0? -137.6 164.74 28.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.907 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 661' ' ' TYR . . . . . . . . . . . . . 92.3 m-85 -154.96 150.97 27.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.91 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 662' ' ' LEU . . . . . 0.401 ' HA ' HD12 ' A' ' 606' ' ' LEU . 0.3 OUTLIER -73.11 107.62 5.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.94 179.951 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 663' ' ' VAL . . . . . 0.62 HG12 ' HZ ' ' A' ' 640' ' ' PHE . 16.2 m -125.24 116.09 45.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.126 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 664' ' ' HIS . . . . . 0.695 ' O ' HG13 ' A' ' 665' ' ' VAL . 6.2 t-80 -103.02 104.74 14.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.877 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 665' ' ' VAL . . . . . 0.787 HG23 ' HD2' ' A' ' 669' ' ' PHE . 0.2 OUTLIER -165.88 144.13 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.151 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 666' ' ' ASN . . . . . . . . . . . . . 10.6 t30 -113.39 -67.4 1.0 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.845 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 667' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -75.57 -56.0 5.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.833 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -50.77 -28.76 9.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.876 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 669' ' ' PHE . . . . . 0.787 ' HD2' HG23 ' A' ' 665' ' ' VAL . 3.6 t80 -59.85 -66.83 0.45 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 670' ' ' LEU . . . . . 0.501 HD22 ' HA ' ' A' ' 704' ' ' LEU . 51.1 mt -61.63 -47.08 87.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.919 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 671' ' ' GLN . . . . . . . . . . . . . 63.2 mt-30 -47.95 -48.91 31.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.921 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 672' ' ' TYR . . . . . 0.41 ' CD1' ' C ' ' A' ' 672' ' ' TYR . 0.5 OUTLIER -58.82 -29.62 67.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 -179.87 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 673' ' ' ILE . . . . . 0.621 HD13 HG21 ' A' ' 703' ' ' ILE . 63.5 mt -77.1 -56.5 7.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.118 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 674' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -61.69 -34.61 76.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 675' ' ' LYS . . . . . . . . . . . . . 28.7 mtpp -78.11 -67.01 0.77 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.854 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 676' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -109.17 164.31 12.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.894 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 25.1 p -129.79 172.31 11.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.125 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 678' ' ' ILE . . . . . . . . . . . . . 5.2 mp -91.17 139.65 17.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.139 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 22.6 m -111.26 94.29 4.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.183 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 680' ' ' LEU . . . . . 0.905 HD13 HD11 ' A' ' 698' ' ' LEU . 6.7 tt -102.9 106.19 16.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 681' ' ' GLU . . . . . 0.562 ' CD ' ' HB1' ' A' ' 695' ' ' ALA . 2.1 mm-40 -98.19 148.01 24.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 682' ' ' VAL . . . . . . . . . . . . . 87.1 t -115.01 104.76 17.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.128 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 683' ' ' HIS . . . . . 0.603 ' N ' ' CD2' ' A' ' 683' ' ' HIS . 0.2 OUTLIER -94.85 149.81 20.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 179.926 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 684' ' ' GLN . . . . . 0.886 ' HA ' HG22 ' A' ' 631' ' ' THR . 4.6 tt0 -90.27 129.56 36.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.895 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -87.8 103.91 16.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.109 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 686' ' ' TYR . . . . . 0.448 ' CZ ' ' HB3' ' A' ' 684' ' ' GLN . 30.6 m-85 -91.92 167.35 12.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 687' ' ' SER . . . . . . . . . . . . . 2.7 m -53.93 -58.41 7.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.891 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 688' ' ' THR . . . . . . . . . . . . . 77.3 p -130.22 29.53 4.88 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.123 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 689' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -141.84 160.12 40.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.917 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 690' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -151.03 116.26 5.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.952 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 691' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -149.48 155.17 39.95 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.871 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 692' ' ' THR . . . . . . . . . . . . . 36.6 m -90.41 114.48 26.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.157 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 693' ' ' ILE . . . . . . . . . . . . . 14.6 pt -94.12 -28.11 4.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.118 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -134.75 155.02 51.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.106 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 695' ' ' ALA . . . . . 0.562 ' HB1' ' CD ' ' A' ' 681' ' ' GLU . . . -157.28 126.55 5.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.129 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 696' ' ' CYS . . . . . 0.493 ' N ' ' OE1' ' A' ' 681' ' ' GLU . 31.3 p -139.79 -177.38 4.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.853 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 697' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -136.06 125.66 25.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.929 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 698' ' ' LEU . . . . . 0.905 HD11 HD13 ' A' ' 680' ' ' LEU . 46.7 mt -84.18 128.87 34.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 699' ' ' LYS . . . . . . . . . . . . . 8.9 ptpt -148.08 138.07 22.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 700' ' ' PHE . . . . . 0.479 ' CD1' ' N ' ' A' ' 700' ' ' PHE . 0.2 OUTLIER -110.2 125.35 52.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.849 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 701' ' ' HIS . . . . . . . . . . . . . 36.0 m-70 -90.57 -57.74 2.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.853 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 702' ' ' GLU . . . . . 0.484 ' HB2' HG21 ' A' ' 710' ' ' ILE . 45.2 mt-10 -50.81 -35.02 30.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.903 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 703' ' ' ILE . . . . . 0.621 HG21 HD13 ' A' ' 673' ' ' ILE . 10.1 tt -47.32 -19.09 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.155 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 704' ' ' LEU . . . . . 0.621 HD22 HG23 ' A' ' 703' ' ' ILE . 2.5 mm? -79.13 -47.92 15.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 705' ' ' GLU . . . . . 0.478 ' HG3' ' N ' ' A' ' 706' ' ' LYS . 22.6 pt-20 -80.07 -47.0 15.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 706' ' ' LYS . . . . . 0.478 ' N ' ' HG3' ' A' ' 705' ' ' GLU . 6.6 ptpt -119.63 153.94 34.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 707' ' ' SER . . . . . . . . . . . . . 67.7 m -134.09 94.68 3.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.851 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 708' ' ' GLY . . . . . . . . . . . . . . . 160.28 -136.74 4.67 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.491 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 709' ' ' ARG . . . . . 0.414 ' C ' HG13 ' A' ' 710' ' ' ILE . 16.9 mtm180 -55.88 91.03 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.796 0.331 . . . . 0.0 110.884 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 710' ' ' ILE . . . . . 0.484 HG21 ' HB2' ' A' ' 702' ' ' GLU . 7.6 mt -137.58 139.51 43.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.118 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 711' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 -105.04 149.76 25.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.908 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 712' ' ' CYS . . . . . . . . . . . . . 16.7 m -159.49 169.66 23.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.87 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 713' ' ' THR . . . . . . . . . . . . . 12.6 p -148.63 163.91 35.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.148 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 714' ' ' ALA . . . . . 0.562 ' HB3' ' CG1' ' A' ' 729' ' ' VAL . . . -141.52 141.19 33.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.08 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 715' ' ' SER . . . . . . . . . . . . . 23.5 p -91.72 148.79 21.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 716' ' ' LEU . . . . . . . . . . . . . 21.1 mt -110.42 141.05 44.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.925 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 717' ' ' ILE . . . . . . . . . . . . . 5.1 mp -124.21 145.57 31.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.166 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 718' ' ' GLY . . . . . . . . . . . . . . . -83.51 129.1 8.91 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.515 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 719' ' ' THR . . . . . . . . . . . . . 46.7 p -59.24 -61.85 2.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.863 0.363 . . . . 0.0 111.111 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 720' ' ' LYS . . . . . . . . . . . . . 28.5 mttm -86.6 -56.5 3.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.919 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 721' ' ' GLY . . . . . . . . . . . . . . . -48.98 -19.59 1.53 Allowed Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.491 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 722' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 53.67 37.32 25.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.86 0.362 . . . . 0.0 110.919 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 723' ' ' ILE . . . . . . . . . . . . . 44.3 mt -93.16 113.68 60.64 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.633 0.73 . . . . 0.0 111.117 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 724' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -29.88 23.26 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.742 2.295 . . . . 0.0 112.317 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 725' ' ' ASN . . . . . . . . . . . . . 20.7 m-20 -99.59 38.29 1.46 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.894 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 726' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -46.74 -49.8 19.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.893 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 727' ' ' GLY . . . . . . . . . . . . . . . 176.37 -144.95 7.23 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.511 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 728' ' ' THR . . . . . . . . . . . . . 48.4 m -160.91 151.72 18.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.832 0.348 . . . . 0.0 111.147 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 729' ' ' VAL . . . . . 0.562 ' CG1' ' HB3' ' A' ' 714' ' ' ALA . 12.3 p -119.2 125.33 74.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.148 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -103.62 121.72 43.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.883 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 731' ' ' TYR . . . . . . . . . . . . . 51.1 p90 -157.03 164.65 37.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.881 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 732' ' ' TRP . . . . . . . . . . . . . 42.0 p-90 -126.3 158.15 36.54 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.958 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 733' ' ' PHE . . . . . 0.455 ' CD1' ' N ' ' A' ' 733' ' ' PHE . 1.1 p90 -146.97 127.55 14.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.897 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 734' ' ' ARG . . . . . . . . . . . . . 20.5 ttp180 -136.19 112.86 10.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.913 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 735' ' ' LEU . . . . . . . . . . . . . 12.8 tp -101.43 111.41 23.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.947 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 736' ' ' ARG . . . . . . . . . . . . . 50.2 mtt180 -145.04 161.15 40.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.837 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 737' ' ' VAL . . . . . . . . . . . . . 14.6 p -52.43 145.68 2.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.151 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 738' ' ' SER . . . . . . . . . . . . . 35.9 t . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.912 -179.837 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 604' ' ' GLU . . . . . 0.749 ' HG2' HD11 ' A' ' 662' ' ' LEU . 4.8 mt-10 . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.867 0.365 . . . . 0.0 110.854 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 605' ' ' ASN . . . . . 0.47 ' O ' HG23 ' A' ' 663' ' ' VAL . 7.7 m-80 -129.34 128.51 43.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.851 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 606' ' ' LEU . . . . . . . . . . . . . 18.2 tp -110.84 115.36 29.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.931 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 607' ' ' PHE . . . . . 0.499 ' HD1' HD13 ' A' ' 735' ' ' LEU . 10.3 t80 -106.13 103.69 13.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 608' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -107.35 126.41 52.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 609' ' ' ILE . . . . . . . . . . . . . 20.8 mt -116.21 120.04 63.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.124 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 610' ' ' HIS . . . . . 0.561 ' CE1' ' HA ' ' A' ' 656' ' ' ASN . 1.8 t60 -121.82 131.04 53.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.842 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 30.9 mm -101.98 111.39 31.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.101 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 612' ' ' ASN . . . . . . . . . . . . . 15.3 t-20 -66.09 -67.14 0.47 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.949 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 613' ' ' LYS . . . . . . . . . . . . . 21.1 pttt -170.23 170.95 7.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.893 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 614' ' ' VAL . . . . . . . . . . . . . 14.6 t -113.6 134.65 55.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.138 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 615' ' ' THR . . . . . . . . . . . . . 8.6 m -102.3 125.52 49.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.177 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 616' ' ' PHE . . . . . 0.517 ' CD2' HG21 ' A' ' 620' ' ' VAL . 3.8 m-30 -99.03 139.43 34.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 617' ' ' SER . . . . . 0.431 ' O ' HG22 ' A' ' 620' ' ' VAL . 1.2 t -90.36 153.46 20.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.869 -179.801 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 618' ' ' SER . . . . . . . . . . . . . 36.8 p -38.15 -38.93 0.37 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.863 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 619' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -41.64 -66.86 0.3 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.886 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 620' ' ' VAL . . . . . 0.517 HG21 ' CD2' ' A' ' 616' ' ' PHE . 22.0 m -64.13 -38.92 83.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.15 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 621' ' ' LEU . . . . . 0.41 ' CD2' ' CD2' ' A' ' 651' ' ' LEU . 18.5 mt -49.3 -46.52 46.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.941 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 622' ' ' GLN . . . . . . . . . . . . . 70.3 mt-30 -73.03 -63.94 1.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.919 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -43.32 -37.44 2.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.127 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 1.2 t -78.74 -62.68 1.62 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.868 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 625' ' ' GLY . . . . . . . . . . . . . . . 110.02 -155.33 16.15 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.501 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 626' ' ' ASP . . . . . 0.41 ' CG ' ' O ' ' A' ' 626' ' ' ASP . 20.6 t0 -86.81 44.72 1.19 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.93 0.395 . . . . 0.0 110.882 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 15.1 ptmt -119.17 161.83 19.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -113.58 89.11 14.67 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.61 0.719 . . . . 0.0 110.938 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 629' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 124.6 11.27 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.647 2.231 . . . . 0.0 112.341 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 630' ' ' VAL . . . . . 0.699 HG22 ' CB ' ' A' ' 649' ' ' ARG . 4.5 t -90.26 124.07 42.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.14 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 631' ' ' THR . . . . . 0.424 HG22 ' HG3' ' A' ' 684' ' ' GLN . 11.0 p -136.41 160.18 39.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.173 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 632' ' ' PHE . . . . . . . . . . . . . 49.1 p90 -140.04 142.04 36.23 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 633' ' ' CYS . . . . . . . . . . . . . 88.6 m -93.92 148.68 21.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 634' ' ' THR . . . . . . . . . . . . . 12.9 p -147.53 131.22 16.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.144 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 635' ' ' TYR . . . . . 0.633 ' CD1' HD12 ' A' ' 680' ' ' LEU . 16.7 p90 -170.46 173.46 5.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.961 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 636' ' ' ALA . . . . . . . . . . . . . . . -134.07 155.88 49.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.12 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 637' ' ' PHE . . . . . 0.498 ' CZ ' ' HB2' ' A' ' 638' ' ' TYR . 3.4 t80 -120.14 150.24 40.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.885 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 638' ' ' TYR . . . . . 0.498 ' HB2' ' CZ ' ' A' ' 637' ' ' PHE . 12.9 t80 36.49 38.37 0.07 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 639' ' ' ASP . . . . . . . . . . . . . 55.4 m-20 54.0 47.14 24.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.87 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 640' ' ' PHE . . . . . 0.428 ' CD2' ' HB3' ' A' ' 638' ' ' TYR . 11.1 m-85 -104.67 179.82 4.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -49.92 128.02 17.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.863 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 642' ' ' LEU . . . . . 0.533 HD13 ' C ' ' A' ' 642' ' ' LEU . 1.2 tm? -54.14 112.42 0.97 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.924 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 643' ' ' GLN . . . . . 0.488 ' N ' HD13 ' A' ' 642' ' ' LEU . 17.6 mm-40 -85.5 117.34 24.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 644' ' ' THR . . . . . . . . . . . . . 53.2 m -102.46 133.32 47.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.153 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 645' ' ' THR . . . . . . . . . . . . . 18.9 p -91.68 154.77 44.02 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.598 0.713 . . . . 0.0 111.116 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 646' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 141.42 45.51 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.715 2.277 . . . . 0.0 112.328 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 647' ' ' VAL . . . . . . . . . . . . . 43.5 t -68.84 131.27 33.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.145 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 648' ' ' VAL . . . . . 0.526 ' C ' HG13 ' A' ' 630' ' ' VAL . 21.5 t -140.31 132.58 32.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.147 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 649' ' ' ARG . . . . . 0.699 ' CB ' HG22 ' A' ' 630' ' ' VAL . 8.7 ptm180 -89.31 143.51 26.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 650' ' ' GLY . . . . . . . . . . . . . . . 125.56 155.0 8.88 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.498 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 651' ' ' LEU . . . . . 0.452 ' C ' ' HD3' ' A' ' 653' ' ' PRO . 6.3 mp -71.22 -46.46 61.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.846 0.355 . . . . 0.0 110.889 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 652' ' ' HIS . . . . . . . . . . . . . 15.1 m-70 -110.15 67.55 0.48 Allowed Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.567 0.698 . . . . 0.0 110.862 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 653' ' ' PRO . . . . . 0.452 ' HD3' ' C ' ' A' ' 651' ' ' LEU . 53.5 Cg_endo -69.7 124.03 10.7 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.722 2.281 . . . . 0.0 112.333 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -87.22 83.92 7.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.898 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 655' ' ' TYR . . . . . . . . . . . . . 86.1 m-85 -57.9 -53.95 52.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.958 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 656' ' ' ASN . . . . . 0.561 ' HA ' ' CE1' ' A' ' 610' ' ' HIS . 14.2 m120 46.89 43.49 13.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.853 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 657' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -99.95 108.08 20.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.859 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 19.4 m -90.38 142.83 27.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.15 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 8.0 t -131.47 145.68 51.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -131.31 130.92 43.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.865 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 661' ' ' TYR . . . . . . . . . . . . . 31.3 m-85 -151.37 122.0 7.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 662' ' ' LEU . . . . . 0.749 HD11 ' HG2' ' A' ' 604' ' ' GLU . 1.1 tm? -74.75 116.13 15.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.916 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 663' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 605' ' ' ASN . 1.2 m -123.89 117.42 50.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.151 179.818 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 664' ' ' HIS . . . . . . . . . . . . . 11.0 p-80 -94.84 103.6 15.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.884 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 665' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -142.38 166.05 16.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.16 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 666' ' ' ASN . . . . . 0.44 ' O ' ' C ' ' A' ' 667' ' ' ASP . 2.0 m-80 -109.97 -174.97 2.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 667' ' ' ASP . . . . . 0.44 ' C ' ' O ' ' A' ' 666' ' ' ASN . 1.3 m-20 -34.02 -40.28 0.08 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.852 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 668' ' ' LEU . . . . . 0.43 ' O ' ' N ' ' A' ' 671' ' ' GLN . 4.6 mm? -36.59 -52.85 0.88 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 669' ' ' PHE . . . . . 0.487 ' HE1' HD11 ' A' ' 673' ' ' ILE . 10.7 t80 -36.14 -48.2 0.6 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.858 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 670' ' ' LEU . . . . . . . . . . . . . 44.8 mt -59.02 -45.87 89.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 671' ' ' GLN . . . . . 0.43 ' N ' ' O ' ' A' ' 668' ' ' LEU . 15.4 mt-30 -58.4 -40.24 81.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.879 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 672' ' ' TYR . . . . . 0.459 ' CD1' ' C ' ' A' ' 672' ' ' TYR . 0.3 OUTLIER -55.82 -44.55 77.99 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.911 -179.824 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 673' ' ' ILE . . . . . 0.676 HD13 HG21 ' A' ' 703' ' ' ILE . 85.6 mt -56.66 -29.12 28.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.134 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 674' ' ' GLN . . . . . 0.615 ' HG2' HD21 ' A' ' 704' ' ' LEU . 5.4 mm-40 -77.22 -61.39 2.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.945 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 675' ' ' LYS . . . . . . . . . . . . . 17.3 mtpp -63.12 -58.44 7.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.911 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 676' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -103.53 158.68 16.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.858 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 20.2 p -139.37 171.63 13.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.118 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 678' ' ' ILE . . . . . 0.427 ' O ' ' N ' ' A' ' 698' ' ' LEU . 15.4 mt -87.46 124.66 40.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.178 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 28.5 m -101.93 101.22 11.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.126 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 680' ' ' LEU . . . . . 0.843 ' O ' HD23 ' A' ' 680' ' ' LEU . 3.2 tt -113.83 105.28 13.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 681' ' ' GLU . . . . . . . . . . . . . 28.0 mp0 -94.24 145.2 24.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.869 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 682' ' ' VAL . . . . . . . . . . . . . 71.3 t -98.35 98.79 7.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.129 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 683' ' ' HIS . . . . . 0.429 ' CD2' ' N ' ' A' ' 683' ' ' HIS . 4.2 m170 -87.74 124.26 33.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 684' ' ' GLN . . . . . 0.508 ' OE1' HD13 ' A' ' 693' ' ' ILE . 43.7 tt0 -91.03 148.31 22.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.945 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -123.13 128.18 49.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.11 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 686' ' ' TYR . . . . . 0.433 ' CD2' ' O ' ' A' ' 689' ' ' GLU . 0.6 OUTLIER -94.65 168.44 10.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 -179.833 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 687' ' ' SER . . . . . . . . . . . . . 89.0 p -59.41 -10.73 3.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.858 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 688' ' ' THR . . . . . . . . . . . . . 24.6 p -114.31 -74.23 0.63 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.193 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 689' ' ' GLU . . . . . 0.433 ' O ' ' CD2' ' A' ' 686' ' ' TYR . 3.9 pt-20 -119.74 -178.93 3.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.918 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 690' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -135.22 139.61 44.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.928 -179.854 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 691' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -149.69 155.22 39.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 692' ' ' THR . . . . . . . . . . . . . 19.2 m -67.11 134.37 51.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.157 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 693' ' ' ILE . . . . . 0.508 HD13 ' OE1' ' A' ' 684' ' ' GLN . 5.9 pt -126.33 -25.48 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.133 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -139.01 155.03 48.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.124 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 695' ' ' ALA . . . . . . . . . . . . . . . -152.63 125.71 8.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.095 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 696' ' ' CYS . . . . . . . . . . . . . 14.6 p -144.65 171.24 14.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 697' ' ' GLN . . . . . 0.503 ' N ' ' CD ' ' A' ' 697' ' ' GLN . 0.0 OUTLIER -128.18 128.26 44.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 -179.88 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 698' ' ' LEU . . . . . 0.578 HD11 HD13 ' A' ' 680' ' ' LEU . 35.8 mt -90.74 119.25 30.81 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.9 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 699' ' ' LYS . . . . . . . . . . . . . 9.3 ptpt -134.76 133.07 39.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.943 179.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 700' ' ' PHE . . . . . 0.785 ' CD1' ' CD1' ' A' ' 733' ' ' PHE . 2.9 m-85 -99.17 125.92 44.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 701' ' ' HIS . . . . . . . . . . . . . 6.9 m80 -88.32 -52.76 5.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.827 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 702' ' ' GLU . . . . . 0.532 ' HB2' HG21 ' A' ' 710' ' ' ILE . 2.8 mp0 -50.4 -38.75 44.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 703' ' ' ILE . . . . . 0.688 HD12 ' CE2' ' A' ' 733' ' ' PHE . 8.5 tt -47.95 -18.92 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.146 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 704' ' ' LEU . . . . . 0.615 HD21 ' HG2' ' A' ' 674' ' ' GLN . 13.7 mt -71.09 -42.08 69.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 705' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -104.45 -48.25 3.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 706' ' ' LYS . . . . . . . . . . . . . 58.3 mttp -83.49 173.57 11.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 707' ' ' SER . . . . . . . . . . . . . 20.2 m -157.89 108.14 2.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.868 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 708' ' ' GLY . . . . . . . . . . . . . . . 140.96 -149.9 21.36 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.521 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 709' ' ' ARG . . . . . . . . . . . . . 21.2 mtp180 -63.74 98.05 0.18 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.778 0.323 . . . . 0.0 110.85 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 710' ' ' ILE . . . . . 0.532 HG21 ' HB2' ' A' ' 702' ' ' GLU . 30.6 mt -124.63 111.5 28.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.108 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 711' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -75.43 134.06 40.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 712' ' ' CYS . . . . . . . . . . . . . 86.5 m -150.38 178.51 8.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.875 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 713' ' ' THR . . . . . . . . . . . . . 34.1 p -150.72 169.31 21.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.128 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 714' ' ' ALA . . . . . . . . . . . . . . . -141.65 155.5 45.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.114 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 715' ' ' SER . . . . . . . . . . . . . 78.0 p -92.43 152.4 19.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 716' ' ' LEU . . . . . 0.558 ' C ' HD12 ' A' ' 717' ' ' ILE . 14.0 mt -116.24 143.85 44.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.956 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 717' ' ' ILE . . . . . 0.558 HD12 ' C ' ' A' ' 716' ' ' LEU . 4.5 mp -134.83 143.57 37.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.1 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 718' ' ' GLY . . . . . . . . . . . . . . . -82.41 147.74 25.9 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.493 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 719' ' ' THR . . . . . . . . . . . . . 44.3 p -78.92 -47.31 16.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.8 0.334 . . . . 0.0 111.106 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 720' ' ' LYS . . . . . . . . . . . . . 19.8 mttm -93.86 -55.76 3.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.902 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 721' ' ' GLY . . . . . . . . . . . . . . . -64.6 -7.84 29.73 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.491 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 722' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 40.38 41.11 0.97 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.778 0.323 . . . . 0.0 110.847 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 723' ' ' ILE . . . . . . . . . . . . . 81.6 mt -87.63 113.11 52.81 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.609 0.718 . . . . 0.0 111.158 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 724' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 -45.29 1.64 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.703 2.269 . . . . 0.0 112.294 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 725' ' ' ASN . . . . . . . . . . . . . 43.2 m-20 -83.64 43.11 0.88 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.846 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 726' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -62.19 -44.52 96.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.868 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 727' ' ' GLY . . . . . . . . . . . . . . . 159.63 176.27 31.51 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.483 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 728' ' ' THR . . . . . . . . . . . . . 2.4 m -122.99 145.56 48.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.842 0.353 . . . . 0.0 111.135 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 729' ' ' VAL . . . . . . . . . . . . . 11.6 p -104.25 147.39 10.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.132 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -113.74 133.03 55.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.929 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 731' ' ' TYR . . . . . 0.482 ' CE2' HD22 ' A' ' 698' ' ' LEU . 31.1 p90 -164.88 174.16 10.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.935 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 732' ' ' TRP . . . . . 0.498 ' HE1' ' CD2' ' A' ' 610' ' ' HIS . 69.6 p-90 -151.29 121.52 7.26 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.909 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 733' ' ' PHE . . . . . 0.785 ' CD1' ' CD1' ' A' ' 700' ' ' PHE . 25.7 p90 -102.49 145.07 30.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.857 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 734' ' ' ARG . . . . . . . . . . . . . 7.3 tmm_? -137.38 115.25 11.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.884 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 735' ' ' LEU . . . . . 0.499 HD13 ' HD1' ' A' ' 607' ' ' PHE . 46.4 tp -117.14 106.96 13.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.943 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 736' ' ' ARG . . . . . 0.47 ' HD2' ' N ' ' A' ' 737' ' ' VAL . 2.2 tmm_? -149.38 146.33 27.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 737' ' ' VAL . . . . . 0.47 ' N ' ' HD2' ' A' ' 736' ' ' ARG . 11.8 p -52.15 133.05 14.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.117 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 738' ' ' SER . . . . . . . . . . . . . 2.6 p . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.814 -179.849 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 604' ' ' GLU . . . . . 0.78 ' HB2' HD11 ' A' ' 662' ' ' LEU . 0.6 OUTLIER . . . . . 0 N--CA 1.458 -0.068 0 CA-C-O 120.853 0.358 . . . . 0.0 110.882 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 605' ' ' ASN . . . . . . . . . . . . . 26.0 m120 -117.78 148.45 42.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.901 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 606' ' ' LEU . . . . . 0.442 HD12 ' O ' ' A' ' 661' ' ' TYR . 26.4 tp -118.16 126.03 51.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 607' ' ' PHE . . . . . 0.447 ' CD2' ' HB2' ' A' ' 735' ' ' LEU . 0.5 OUTLIER -122.87 119.76 31.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.839 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 608' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -129.68 127.69 41.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.913 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 609' ' ' ILE . . . . . . . . . . . . . 57.1 mt -117.01 122.29 69.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.147 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 610' ' ' HIS . . . . . 0.576 ' HB2' HG23 ' A' ' 658' ' ' THR . 1.1 t60 -114.63 147.63 39.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 179.846 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 611' ' ' ILE . . . . . 0.429 ' N ' ' ND1' ' A' ' 610' ' ' HIS . 12.4 mm -114.29 105.2 18.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.126 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 612' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 -59.84 -67.64 0.36 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 613' ' ' LYS . . . . . . . . . . . . . 36.0 pttt -166.51 170.99 12.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 614' ' ' VAL . . . . . . . . . . . . . 9.4 p -119.69 127.36 75.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.144 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 615' ' ' THR . . . . . . . . . . . . . 89.7 m -105.2 143.83 32.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.163 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 616' ' ' PHE . . . . . 0.743 ' CD1' HG11 ' A' ' 620' ' ' VAL . 87.6 m-85 -117.06 165.35 13.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.842 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -101.28 165.27 11.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.874 -179.84 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 618' ' ' SER . . . . . 0.489 ' HA ' HD12 ' A' ' 621' ' ' LEU . 52.1 m -44.51 -62.96 1.0 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.865 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 619' ' ' GLU . . . . . 0.744 ' OE1' HD13 ' A' ' 723' ' ' ILE . 1.6 pp20? -38.3 -52.63 1.51 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.911 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 620' ' ' VAL . . . . . 0.743 HG11 ' CD1' ' A' ' 616' ' ' PHE . 4.1 t -58.86 -51.16 75.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.112 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 621' ' ' LEU . . . . . 0.489 HD12 ' HA ' ' A' ' 618' ' ' SER . 24.5 mt -54.22 -67.42 0.26 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 622' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -52.62 -41.51 63.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.891 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 623' ' ' ALA . . . . . 0.434 ' HB2' ' O ' ' A' ' 619' ' ' GLU . . . -50.54 -23.44 2.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.139 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 25.1 p -93.73 -39.46 10.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 625' ' ' GLY . . . . . . . . . . . . . . . 111.48 -149.47 18.0 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.483 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 626' ' ' ASP . . . . . . . . . . . . . 49.6 m-20 -91.88 44.97 1.19 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.841 0.353 . . . . 0.0 110.867 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 9.3 ptpp? -142.11 -176.44 4.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.922 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 628' ' ' GLU . . . . . 0.407 ' O ' ' CG ' ' A' ' 628' ' ' GLU . 4.6 pt-20 -128.6 104.12 19.37 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.624 0.726 . . . . 0.0 110.9 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 629' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 142.63 48.61 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.683 2.255 . . . . 0.0 112.398 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 630' ' ' VAL . . . . . 0.78 HG13 ' O ' ' A' ' 648' ' ' VAL . 21.4 t -94.86 130.23 43.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.081 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 631' ' ' THR . . . . . . . . . . . . . 1.2 p -150.05 162.07 41.12 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.079 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 632' ' ' PHE . . . . . 0.635 ' CZ ' ' NE2' ' A' ' 683' ' ' HIS . 2.2 p90 -146.34 158.27 43.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 633' ' ' CYS . . . . . 0.42 ' SG ' HD21 ' A' ' 680' ' ' LEU . 1.8 m -90.58 155.46 18.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 634' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -149.42 123.97 9.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.096 -179.832 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 635' ' ' TYR . . . . . 0.562 ' CD1' HD12 ' A' ' 680' ' ' LEU . 48.3 p90 -168.85 154.96 6.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.943 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 636' ' ' ALA . . . . . . . . . . . . . . . -102.81 154.93 18.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.069 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 637' ' ' PHE . . . . . 0.488 ' O ' ' C ' ' A' ' 638' ' ' TYR . 11.2 t80 -105.99 156.97 17.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 638' ' ' TYR . . . . . 0.601 ' O ' ' CD2' ' A' ' 640' ' ' PHE . 67.3 t80 -30.76 102.71 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.911 -179.809 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 639' ' ' ASP . . . . . . . . . . . . . 34.8 t70 54.95 54.96 8.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.844 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 640' ' ' PHE . . . . . 0.601 ' CD2' ' O ' ' A' ' 638' ' ' TYR . 60.7 m-85 -143.24 148.56 36.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.881 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -64.32 147.75 51.83 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.915 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 642' ' ' LEU . . . . . 0.414 HD13 ' N ' ' A' ' 643' ' ' GLN . 0.6 OUTLIER -50.79 111.39 0.54 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.926 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 643' ' ' GLN . . . . . 0.414 ' N ' HD13 ' A' ' 642' ' ' LEU . 3.5 tp60 -84.98 118.17 24.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.938 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 644' ' ' THR . . . . . . . . . . . . . 3.3 m -94.32 117.66 30.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.125 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 645' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -71.85 159.78 84.49 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.552 0.691 . . . . 0.0 111.157 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 646' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 126.1 12.92 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.655 2.237 . . . . 0.0 112.349 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 647' ' ' VAL . . . . . . . . . . . . . 39.0 t -73.41 133.44 31.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.081 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 648' ' ' VAL . . . . . 0.78 ' O ' HG13 ' A' ' 630' ' ' VAL . 48.1 t -137.31 156.13 32.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.152 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 649' ' ' ARG . . . . . 0.469 ' N ' HG12 ' A' ' 648' ' ' VAL . 20.2 mtt180 -96.72 123.99 40.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 650' ' ' GLY . . . . . . . . . . . . . . . 147.05 -169.51 28.09 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.473 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 651' ' ' LEU . . . . . 0.425 HD22 HD23 ' A' ' 621' ' ' LEU . 8.5 mt -115.2 -46.47 2.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.856 0.36 . . . . 0.0 110.973 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 652' ' ' HIS . . . . . . . . . . . . . 7.9 m170 -118.13 57.29 2.68 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.593 0.711 . . . . 0.0 110.882 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 653' ' ' PRO . . . . . 0.41 ' HD3' ' C ' ' A' ' 651' ' ' LEU . 54.2 Cg_endo -69.74 178.72 4.28 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.66 2.24 . . . . 0.0 112.353 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 654' ' ' GLU . . . . . 0.428 ' O ' ' C ' ' A' ' 655' ' ' TYR . 35.0 mt-10 -128.73 72.08 1.44 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 655' ' ' TYR . . . . . 0.428 ' C ' ' O ' ' A' ' 654' ' ' GLU . 85.0 m-85 -35.65 -46.81 0.44 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.927 -179.847 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 10.6 m-20 56.78 44.03 24.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.886 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 657' ' ' PHE . . . . . . . . . . . . . 16.6 t80 -97.7 109.42 22.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 658' ' ' THR . . . . . 0.576 HG23 ' HB2' ' A' ' 610' ' ' HIS . 1.8 m -124.01 94.89 4.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.168 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 1.9 m -97.22 152.6 18.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.845 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 82.0 mt-30 -135.9 131.08 34.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 661' ' ' TYR . . . . . 0.442 ' O ' HD12 ' A' ' 606' ' ' LEU . 53.4 m-85 -146.73 133.35 19.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.964 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 662' ' ' LEU . . . . . 0.78 HD11 ' HB2' ' A' ' 604' ' ' GLU . 0.6 OUTLIER -80.58 110.97 16.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.93 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 663' ' ' VAL . . . . . . . . . . . . . 8.0 m -107.83 119.43 57.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.099 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 664' ' ' HIS . . . . . . . . . . . . . 1.8 p-80 -86.02 108.65 18.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.893 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 665' ' ' VAL . . . . . 0.743 HG22 ' H ' ' A' ' 666' ' ' ASN . 1.3 p -156.4 -177.58 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.122 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 666' ' ' ASN . . . . . 0.743 ' H ' HG22 ' A' ' 665' ' ' VAL . 0.7 OUTLIER -129.09 -174.81 3.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 667' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -44.02 -33.41 1.42 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.915 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -43.39 -36.43 1.93 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 669' ' ' PHE . . . . . 0.515 ' HB2' HG11 ' A' ' 665' ' ' VAL . 3.2 t80 -50.58 -44.92 56.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.85 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 670' ' ' LEU . . . . . 0.624 HD22 ' O ' ' A' ' 703' ' ' ILE . 80.9 mt -49.88 -46.42 51.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.932 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 671' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -53.68 -50.45 65.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.906 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 672' ' ' TYR . . . . . 0.408 ' CD1' ' C ' ' A' ' 672' ' ' TYR . 0.5 OUTLIER -45.79 -22.73 0.2 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.881 -179.801 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 673' ' ' ILE . . . . . 0.458 HG21 ' CG2' ' A' ' 703' ' ' ILE . 4.0 mm -75.38 -46.52 37.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.133 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 674' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -76.17 -42.27 47.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 675' ' ' LYS . . . . . . . . . . . . . 41.8 mmtt -63.37 -56.46 16.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 676' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -125.27 156.49 38.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.908 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 7.7 p -124.49 164.38 19.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.14 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 678' ' ' ILE . . . . . 0.477 ' O ' ' N ' ' A' ' 698' ' ' LEU . 4.8 mp -90.69 138.18 20.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.179 179.856 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 5.4 m -101.33 118.06 36.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.132 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 680' ' ' LEU . . . . . 0.72 HD13 HD11 ' A' ' 698' ' ' LEU . 7.7 tt -121.0 103.74 9.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 681' ' ' GLU . . . . . 0.463 ' OE1' ' N ' ' A' ' 681' ' ' GLU . 3.2 mp0 -102.37 142.64 33.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.837 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 682' ' ' VAL . . . . . . . . . . . . . 61.8 t -115.11 98.64 7.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.125 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 683' ' ' HIS . . . . . 0.635 ' NE2' ' CZ ' ' A' ' 632' ' ' PHE . 3.5 p-80 -97.83 153.48 18.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.828 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 684' ' ' GLN . . . . . . . . . . . . . 48.7 tt0 -98.97 125.01 44.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.959 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 685' ' ' ALA . . . . . 0.595 ' HB1' ' CE2' ' A' ' 690' ' ' TYR . . . -94.46 113.67 25.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.117 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 686' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 -93.52 168.16 11.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 687' ' ' SER . . . . . . . . . . . . . 18.5 m -85.46 6.26 27.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.859 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 688' ' ' THR . . . . . . . . . . . . . 78.5 p -132.0 -47.4 0.93 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.132 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 689' ' ' GLU . . . . . 0.498 ' C ' ' CD1' ' A' ' 690' ' ' TYR . 2.1 pt-20 -133.26 -177.46 4.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 690' ' ' TYR . . . . . 0.595 ' CE2' ' HB1' ' A' ' 685' ' ' ALA . 26.0 m-85 -147.23 120.35 8.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.893 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 691' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -146.19 145.49 30.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.884 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 692' ' ' THR . . . . . 0.465 HG23 ' HB3' ' A' ' 683' ' ' HIS . 1.0 OUTLIER -68.24 158.2 33.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.135 -179.926 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 693' ' ' ILE . . . . . 0.481 HG13 ' N ' ' A' ' 694' ' ' ALA . 34.0 pt -133.77 -33.7 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.113 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 694' ' ' ALA . . . . . 0.481 ' N ' HG13 ' A' ' 693' ' ' ILE . . . -139.82 152.84 46.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.103 179.841 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 695' ' ' ALA . . . . . . . . . . . . . . . -151.65 121.79 7.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.142 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 696' ' ' CYS . . . . . . . . . . . . . 15.1 p -136.11 176.07 9.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.929 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 697' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -127.66 119.53 26.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 698' ' ' LEU . . . . . 0.72 HD11 HD13 ' A' ' 680' ' ' LEU . 12.1 mt -73.46 121.53 20.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 699' ' ' LYS . . . . . . . . . . . . . 10.4 ptpt -143.77 125.23 14.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 700' ' ' PHE . . . . . 0.546 ' CD2' ' CE1' ' A' ' 733' ' ' PHE . 1.4 m-85 -108.63 125.08 51.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.864 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 701' ' ' HIS . . . . . . . . . . . . . 53.1 m-70 -89.15 -46.8 8.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.85 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 702' ' ' GLU . . . . . 0.502 ' HB2' HG21 ' A' ' 710' ' ' ILE . 9.2 mt-10 -53.43 -26.66 20.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.893 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 703' ' ' ILE . . . . . 0.624 ' O ' HD22 ' A' ' 670' ' ' LEU . 5.8 tt -71.97 2.08 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.1 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 704' ' ' LEU . . . . . . . . . . . . . 59.4 mt -100.03 -19.7 16.4 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.92 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 705' ' ' GLU . . . . . 0.458 ' C ' ' OE1' ' A' ' 705' ' ' GLU . 0.0 OUTLIER -116.93 -33.44 4.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.848 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 706' ' ' LYS . . . . . 0.411 ' HG2' ' HG3' ' A' ' 705' ' ' GLU . 9.0 ptpp? -122.96 159.89 27.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 707' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -139.44 128.68 23.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 708' ' ' GLY . . . . . 0.457 ' O ' ' N ' ' A' ' 710' ' ' ILE . . . 125.94 -144.38 15.07 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.494 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 709' ' ' ARG . . . . . . . . . . . . . 51.6 mtt180 -55.96 84.62 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.819 0.343 . . . . 0.0 110.853 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 710' ' ' ILE . . . . . 0.502 HG21 ' HB2' ' A' ' 702' ' ' GLU . 20.2 mt -124.0 125.98 71.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.103 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 711' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -95.89 144.37 26.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.91 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 712' ' ' CYS . . . . . . . . . . . . . 7.1 t -162.54 169.43 20.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 713' ' ' THR . . . . . . . . . . . . . 19.3 p -142.88 167.59 21.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.117 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 714' ' ' ALA . . . . . 0.645 ' HB2' ' OH ' ' A' ' 731' ' ' TYR . . . -131.96 146.86 52.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.081 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 715' ' ' SER . . . . . . . . . . . . . 29.5 p -89.44 149.58 22.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.84 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 716' ' ' LEU . . . . . . . . . . . . . 24.4 mt -116.82 133.55 55.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.913 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 717' ' ' ILE . . . . . . . . . . . . . 3.7 mp -121.16 118.35 55.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.112 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 718' ' ' GLY . . . . . 0.507 ' CA ' ' CD2' ' A' ' 726' ' ' PHE . . . -51.47 168.63 0.51 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.521 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 719' ' ' THR . . . . . . . . . . . . . 75.5 p -112.87 -30.09 7.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.881 0.372 . . . . 0.0 111.159 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 720' ' ' LYS . . . . . . . . . . . . . 10.5 mttm -72.06 -65.31 0.79 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.878 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 721' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 722' ' ' ASP . . . -108.21 31.11 8.18 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.439 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 722' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 721' ' ' GLY . 27.3 t70 37.52 48.85 0.94 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.77 0.319 . . . . 0.0 110.83 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 723' ' ' ILE . . . . . 0.744 HD13 ' OE1' ' A' ' 619' ' ' GLU . 93.7 mt -69.45 113.38 16.52 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.606 0.717 . . . . 0.0 111.138 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 724' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -36.62 10.53 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.719 2.279 . . . . 0.0 112.343 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 725' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -91.72 36.96 0.96 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.848 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 726' ' ' PHE . . . . . 0.507 ' CD2' ' CA ' ' A' ' 718' ' ' GLY . 7.4 t80 -55.24 -35.14 64.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.855 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 727' ' ' GLY . . . . . . . . . . . . . . . 151.64 -167.91 31.0 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.533 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 728' ' ' THR . . . . . . . . . . . . . 3.2 m -143.3 144.74 32.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.805 0.336 . . . . 0.0 111.126 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 729' ' ' VAL . . . . . 0.45 HG13 ' CE2' ' A' ' 731' ' ' TYR . 12.0 p -107.64 140.55 25.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.174 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 12.4 mp0 -109.49 126.23 53.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.859 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 731' ' ' TYR . . . . . 0.645 ' OH ' ' HB2' ' A' ' 714' ' ' ALA . 1.3 p90 -159.94 164.17 33.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.947 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 732' ' ' TRP . . . . . 0.425 ' CZ3' ' HG2' ' A' ' 734' ' ' ARG . 18.1 p-90 -139.09 141.92 38.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.889 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 733' ' ' PHE . . . . . 0.546 ' CE1' ' CD2' ' A' ' 700' ' ' PHE . 30.4 p90 -124.64 157.37 35.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 734' ' ' ARG . . . . . 0.425 ' HG2' ' CZ3' ' A' ' 732' ' ' TRP . 8.1 ptm180 -154.56 121.32 5.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.866 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 735' ' ' LEU . . . . . 0.447 ' HB2' ' CD2' ' A' ' 607' ' ' PHE . 5.7 tp -130.53 107.33 9.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.94 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 736' ' ' ARG . . . . . 0.431 ' O ' ' C ' ' A' ' 737' ' ' VAL . 10.8 ttt180 -155.88 146.14 21.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.897 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 737' ' ' VAL . . . . . 0.431 ' C ' ' O ' ' A' ' 736' ' ' ARG . 7.1 p -35.44 133.47 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.153 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 738' ' ' SER . . . . . . . . . . . . . 40.6 t . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.834 -179.861 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 604' ' ' GLU . . . . . 0.826 ' O ' HG23 ' A' ' 737' ' ' VAL . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.823 0.344 . . . . 0.0 110.907 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 605' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -121.5 154.07 37.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 606' ' ' LEU . . . . . 0.468 HD21 HE21 ' A' ' 660' ' ' GLN . 37.6 tp -131.58 124.79 30.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 607' ' ' PHE . . . . . 0.691 ' HD2' HD13 ' A' ' 735' ' ' LEU . 8.4 t80 -123.97 122.74 38.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 608' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -135.01 154.24 51.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.877 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 609' ' ' ILE . . . . . . . . . . . . . 40.8 mt -136.95 129.3 44.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.143 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 610' ' ' HIS . . . . . 0.464 ' ND1' ' C ' ' A' ' 610' ' ' HIS . 0.0 OUTLIER -125.62 127.45 46.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.857 179.896 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 611' ' ' ILE . . . . . 0.41 ' N ' ' ND1' ' A' ' 610' ' ' HIS . 46.4 mm -94.5 105.52 17.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.093 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 612' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 -59.7 -67.48 0.38 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 613' ' ' LYS . . . . . . . . . . . . . 2.8 ptpt -160.09 178.7 9.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 614' ' ' VAL . . . . . 0.479 HG22 HG23 ' A' ' 729' ' ' VAL . 72.0 t -130.76 114.29 27.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.166 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 615' ' ' THR . . . . . . . . . . . . . 37.9 m -87.99 150.21 23.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.132 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 616' ' ' PHE . . . . . 0.514 ' HB3' ' CG2' ' A' ' 620' ' ' VAL . 62.0 m-85 -128.35 162.92 25.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.919 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 617' ' ' SER . . . . . 0.489 ' O ' ' N ' ' A' ' 619' ' ' GLU . 8.0 t -107.84 150.22 27.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 -179.825 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 618' ' ' SER . . . . . . . . . . . . . 15.2 m -38.69 -26.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.853 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 619' ' ' GLU . . . . . 0.489 ' N ' ' O ' ' A' ' 617' ' ' SER . 6.9 mp0 -48.53 -58.42 4.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.903 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 620' ' ' VAL . . . . . 0.514 ' CG2' ' HB3' ' A' ' 616' ' ' PHE . 31.2 m -77.85 -35.77 21.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.145 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 621' ' ' LEU . . . . . . . . . . . . . 24.4 mt -56.28 -64.42 0.87 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.921 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 622' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -49.17 -57.96 5.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.931 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -44.74 -43.58 8.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.102 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 4.0 m -68.98 -50.93 44.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.828 -179.75 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 625' ' ' GLY . . . . . . . . . . . . . . . 95.85 -138.19 13.81 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.482 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 626' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -92.36 46.21 1.24 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.821 0.343 . . . . 0.0 110.836 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 43.6 mttm -122.45 160.43 25.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.87 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -109.67 91.48 10.53 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.694 0.759 . . . . 0.0 110.874 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 629' ' ' PRO . . . . . 0.586 ' HD2' HD22 ' A' ' 651' ' ' LEU . 53.7 Cg_endo -69.77 115.79 4.26 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.688 2.258 . . . . 0.0 112.338 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 630' ' ' VAL . . . . . 0.415 ' CG1' ' CG1' ' A' ' 647' ' ' VAL . 17.6 t -89.88 128.79 41.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.08 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 631' ' ' THR . . . . . 0.562 HG22 ' HG2' ' A' ' 684' ' ' GLN . 57.9 p -140.44 150.87 44.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.137 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 632' ' ' PHE . . . . . 0.602 ' CZ ' ' NE2' ' A' ' 683' ' ' HIS . 9.5 p90 -139.04 143.83 38.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 633' ' ' CYS . . . . . . . . . . . . . 85.7 m -98.15 143.24 28.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.837 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 634' ' ' THR . . . . . . . . . . . . . 13.3 p -145.49 130.29 18.14 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.123 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 635' ' ' TYR . . . . . 0.487 ' CD2' HD12 ' A' ' 680' ' ' LEU . 43.1 p90 -166.11 175.85 8.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.915 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 636' ' ' ALA . . . . . . . . . . . . . . . -128.57 144.83 51.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.066 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 637' ' ' PHE . . . . . . . . . . . . . 65.3 t80 -107.02 136.33 47.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.88 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 638' ' ' TYR . . . . . 0.42 ' OH ' HG23 ' A' ' 665' ' ' VAL . 2.8 t80 52.18 25.13 3.11 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.932 -179.84 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 639' ' ' ASP . . . . . . . . . . . . . 7.4 t0 68.27 46.81 1.05 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.861 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 640' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -108.49 176.01 5.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -50.98 126.88 17.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.877 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 642' ' ' LEU . . . . . . . . . . . . . 10.0 tp -47.05 154.32 0.36 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 643' ' ' GLN . . . . . . . . . . . . . 17.2 mm-40 -122.53 110.11 15.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.926 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 644' ' ' THR . . . . . . . . . . . . . 55.9 m -82.69 121.28 26.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.118 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 645' ' ' THR . . . . . . . . . . . . . 20.5 p -83.92 154.43 64.34 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.53 0.681 . . . . 0.0 111.175 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 646' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 120.98 7.68 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.726 2.284 . . . . 0.0 112.331 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 647' ' ' VAL . . . . . 0.415 ' CG1' ' CG1' ' A' ' 630' ' ' VAL . 59.0 t -68.88 126.83 29.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.111 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 86.7 t -131.54 140.0 49.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.149 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 649' ' ' ARG . . . . . . . . . . . . . 13.9 mtm-85 -84.93 150.77 24.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.916 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 650' ' ' GLY . . . . . . . . . . . . . . . 114.78 156.06 11.24 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.473 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 651' ' ' LEU . . . . . 0.586 HD22 ' HD2' ' A' ' 629' ' ' PRO . 4.4 mm? -64.31 -54.97 24.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.848 0.356 . . . . 0.0 110.928 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 652' ' ' HIS . . . . . . . . . . . . . 15.3 m-70 -108.3 72.54 0.42 Allowed Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.535 0.683 . . . . 0.0 110.83 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 653' ' ' PRO . . . . . 0.405 ' HD3' ' C ' ' A' ' 651' ' ' LEU . 53.6 Cg_endo -69.73 163.19 39.19 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.679 2.252 . . . . 0.0 112.332 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -118.57 80.15 1.49 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 655' ' ' TYR . . . . . . . . . . . . . 43.1 m-85 -51.5 -53.69 34.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.893 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 5.2 m120 58.14 40.13 25.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.903 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 657' ' ' PHE . . . . . . . . . . . . . 39.9 t80 -92.64 109.0 20.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 88.3 m -119.31 119.38 33.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.146 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 56.6 m -138.94 140.26 38.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.845 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 660' ' ' GLN . . . . . 0.468 HE21 HD21 ' A' ' 606' ' ' LEU . 0.0 OUTLIER -136.36 149.82 48.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.905 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 661' ' ' TYR . . . . . . . . . . . . . 78.6 m-85 -149.44 138.31 21.13 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.937 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 662' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.54 105.64 4.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.926 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 663' ' ' VAL . . . . . 0.532 ' O ' HG23 ' A' ' 663' ' ' VAL . 24.2 m -105.97 120.95 57.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.067 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 664' ' ' HIS . . . . . 0.406 ' O ' ' CG ' ' A' ' 664' ' ' HIS . 9.6 p80 -89.76 98.53 11.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.867 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 665' ' ' VAL . . . . . 0.558 HG22 ' N ' ' A' ' 666' ' ' ASN . 11.4 p -138.34 164.01 27.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.157 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 666' ' ' ASN . . . . . 0.558 ' N ' HG22 ' A' ' 665' ' ' VAL . 11.5 m120 -109.46 -175.01 2.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.921 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 667' ' ' ASP . . . . . 0.453 ' O ' ' C ' ' A' ' 668' ' ' LEU . 0.9 OUTLIER -40.17 -45.28 1.99 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.877 179.873 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 668' ' ' LEU . . . . . 0.453 ' C ' ' O ' ' A' ' 667' ' ' ASP . 11.1 mt -33.94 -39.69 0.07 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.914 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 669' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -45.82 -54.88 7.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 670' ' ' LEU . . . . . 0.464 HD22 ' HA ' ' A' ' 704' ' ' LEU . 37.1 mt -50.27 -43.04 53.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 671' ' ' GLN . . . . . . . . . . . . . 8.3 mm100 -54.49 -48.39 71.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 672' ' ' TYR . . . . . 0.484 ' CD1' ' C ' ' A' ' 672' ' ' TYR . 0.7 OUTLIER -47.9 -40.36 21.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.922 -179.859 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 673' ' ' ILE . . . . . 0.435 HD13 HG21 ' A' ' 703' ' ' ILE . 16.1 mt -63.23 -38.57 82.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.11 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 674' ' ' GLN . . . . . . . . . . . . . 8.2 mm-40 -78.95 -61.55 1.98 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.924 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 675' ' ' LYS . . . . . . . . . . . . . 45.4 mtpt -53.94 -57.47 10.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 676' ' ' ASN . . . . . . . . . . . . . 18.8 m-20 -111.01 173.07 6.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.925 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 37.6 p -139.65 164.7 29.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.115 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 678' ' ' ILE . . . . . . . . . . . . . 5.3 mp -87.5 139.36 17.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.145 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 20.4 m -109.57 125.57 52.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.152 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 680' ' ' LEU . . . . . 0.712 ' O ' HD23 ' A' ' 680' ' ' LEU . 7.2 tt -134.78 102.09 5.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.902 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 681' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -98.96 128.91 45.22 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 682' ' ' VAL . . . . . . . . . . . . . 76.9 t -99.86 99.14 7.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.117 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 683' ' ' HIS . . . . . 0.602 ' NE2' ' CZ ' ' A' ' 632' ' ' PHE . 9.8 p-80 -93.11 162.49 14.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 684' ' ' GLN . . . . . 0.562 ' HG2' HG22 ' A' ' 631' ' ' THR . 41.3 mt-30 -111.75 160.05 17.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -107.58 102.82 12.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.106 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 686' ' ' TYR . . . . . 0.523 ' CE2' ' HB2' ' A' ' 684' ' ' GLN . 0.1 OUTLIER -129.18 131.19 47.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.94 -179.822 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 687' ' ' SER . . . . . 0.607 ' O ' HG22 ' A' ' 688' ' ' THR . 1.8 m 45.48 53.24 8.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.901 -179.816 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 688' ' ' THR . . . . . 0.607 HG22 ' O ' ' A' ' 687' ' ' SER . 14.8 t 46.05 26.13 0.39 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.106 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 689' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -113.69 147.83 37.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.877 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 690' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -128.67 116.98 20.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.932 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 691' ' ' GLU . . . . . 0.431 ' O ' HG23 ' A' ' 693' ' ' ILE . 41.8 tt0 -147.21 105.0 3.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.895 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 692' ' ' THR . . . . . 0.429 ' C ' ' O ' ' A' ' 691' ' ' GLU . 96.5 m -33.8 135.74 0.13 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.11 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 693' ' ' ILE . . . . . 0.486 HD12 ' N ' ' A' ' 694' ' ' ALA . 2.6 pp -128.76 -28.9 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.165 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 694' ' ' ALA . . . . . 0.486 ' N ' HD12 ' A' ' 693' ' ' ILE . . . -130.92 132.03 44.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.16 179.771 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 695' ' ' ALA . . . . . . . . . . . . . . . -135.46 144.18 46.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.108 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 696' ' ' CYS . . . . . . . . . . . . . 30.6 p -151.45 160.8 43.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 697' ' ' GLN . . . . . 0.4 ' N ' ' CD ' ' A' ' 697' ' ' GLN . 7.1 mp0 -109.05 122.16 46.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 -179.838 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 698' ' ' LEU . . . . . 0.572 HD22 ' CE2' ' A' ' 731' ' ' TYR . 29.8 mt -93.58 123.63 37.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 699' ' ' LYS . . . . . . . . . . . . . 8.6 ptpt -150.21 132.98 15.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.891 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 700' ' ' PHE . . . . . 0.641 ' CD1' ' CE1' ' A' ' 733' ' ' PHE . 5.6 m-85 -109.81 125.6 52.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.884 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 701' ' ' HIS . . . . . . . . . . . . . 35.0 m-70 -88.84 -67.83 0.81 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.856 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 702' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 706' ' ' LYS . 81.4 mm-40 -45.74 -30.9 1.77 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 703' ' ' ILE . . . . . 0.435 HG21 HD13 ' A' ' 673' ' ' ILE . 0.0 OUTLIER -47.86 -39.61 7.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.079 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 704' ' ' LEU . . . . . 0.464 ' HA ' HD22 ' A' ' 670' ' ' LEU . 21.0 mt -60.71 -43.52 97.73 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.939 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 705' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -89.38 -65.05 1.05 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.884 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 706' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 702' ' ' GLU . 19.4 mttm -82.77 175.12 10.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.936 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 707' ' ' SER . . . . . . . . . . . . . 89.5 p -169.96 105.03 0.32 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.89 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 708' ' ' GLY . . . . . . . . . . . . . . . 160.28 80.81 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.465 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 709' ' ' ARG . . . . . . . . . . . . . 49.1 mtt85 44.45 54.81 6.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.781 0.324 . . . . 0.0 110.848 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 710' ' ' ILE . . . . . . . . . . . . . 16.6 mt -72.18 82.89 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.116 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 711' ' ' PHE . . . . . . . . . . . . . 79.3 m-85 -37.24 131.49 0.83 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.913 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 712' ' ' CYS . . . . . . . . . . . . . 65.6 m -154.71 178.39 10.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.829 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 713' ' ' THR . . . . . . . . . . . . . 38.2 p -150.64 163.22 39.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.126 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 714' ' ' ALA . . . . . . . . . . . . . . . -135.26 160.75 37.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.123 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 715' ' ' SER . . . . . . . . . . . . . 28.9 t -100.23 139.24 36.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.845 -179.762 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 716' ' ' LEU . . . . . . . . . . . . . 13.7 mt -111.37 138.87 47.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.933 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 717' ' ' ILE . . . . . . . . . . . . . 4.4 mp -127.77 144.75 36.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.133 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 718' ' ' GLY . . . . . . . . . . . . . . . -90.77 160.72 27.78 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.452 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 719' ' ' THR . . . . . . . . . . . . . 24.6 p -106.3 -41.31 5.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.853 0.358 . . . . 0.0 111.123 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 720' ' ' LYS . . . . . . . . . . . . . 7.2 mmpt? -55.92 -47.18 77.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 721' ' ' GLY . . . . . 0.444 ' O ' ' C ' ' A' ' 722' ' ' ASP . . . -124.17 30.98 4.62 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.493 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 722' ' ' ASP . . . . . 0.445 ' CG ' ' O ' ' A' ' 722' ' ' ASP . 18.0 t70 34.39 41.8 0.06 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.814 0.34 . . . . 0.0 110.837 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 723' ' ' ILE . . . . . . . . . . . . . 76.4 mt -67.87 111.67 8.34 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.593 0.711 . . . . 0.0 111.119 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 724' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -50.86 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.643 2.229 . . . . 0.0 112.333 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 725' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -86.14 50.42 1.98 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.891 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 726' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -59.0 -42.5 90.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 727' ' ' GLY . . . . . . . . . . . . . . . 155.79 175.94 27.37 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.485 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 728' ' ' THR . . . . . . . . . . . . . 6.3 m -117.85 145.9 44.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.763 0.316 . . . . 0.0 111.169 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 729' ' ' VAL . . . . . 0.479 HG23 HG22 ' A' ' 614' ' ' VAL . 7.1 p -108.77 140.45 27.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.119 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -108.67 117.75 35.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.918 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 731' ' ' TYR . . . . . 0.572 ' CE2' HD22 ' A' ' 698' ' ' LEU . 0.5 OUTLIER -160.8 159.16 29.62 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.931 -179.817 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 732' ' ' TRP . . . . . . . . . . . . . 69.6 p-90 -131.95 175.05 9.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.917 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 733' ' ' PHE . . . . . 0.641 ' CE1' ' CD1' ' A' ' 700' ' ' PHE . 15.2 p90 -152.37 151.0 30.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.828 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 734' ' ' ARG . . . . . 0.4 HH22 HD23 ' A' ' 606' ' ' LEU . 16.0 ttp180 -146.58 139.03 25.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.84 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 735' ' ' LEU . . . . . 0.691 HD13 ' HD2' ' A' ' 607' ' ' PHE . 43.6 tp -139.97 105.12 5.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.942 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 736' ' ' ARG . . . . . . . . . . . . . 9.6 mmm180 -149.05 166.7 27.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.856 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 737' ' ' VAL . . . . . 0.826 HG23 ' O ' ' A' ' 604' ' ' GLU . 7.1 p -71.26 113.58 7.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.128 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 738' ' ' SER . . . . . . . . . . . . . 15.9 t . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 -179.849 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 604' ' ' GLU . . . . . 0.564 ' HG2' HD11 ' A' ' 662' ' ' LEU . 2.3 tp10 . . . . . 0 C--O 1.23 0.049 0 CA-C-O 120.86 0.362 . . . . 0.0 110.893 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 605' ' ' ASN . . . . . 0.497 ' ND2' ' O ' ' A' ' 663' ' ' VAL . 1.3 p-10 -113.68 146.75 39.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 606' ' ' LEU . . . . . 0.4 ' HB2' ' CB ' ' A' ' 738' ' ' SER . 12.0 tp -136.56 142.89 43.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 607' ' ' PHE . . . . . . . . . . . . . 11.2 t80 -138.51 144.52 40.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 608' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -156.68 142.47 17.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.866 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 609' ' ' ILE . . . . . . . . . . . . . 5.3 mp -120.94 123.11 69.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.122 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 610' ' ' HIS . . . . . 0.527 ' HB3' ' CE2' ' A' ' 732' ' ' TRP . 61.8 t60 -99.65 140.48 33.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.829 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 50.9 mm -118.35 97.62 5.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.131 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 612' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -60.26 -67.72 0.36 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.92 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 613' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -159.85 176.89 11.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.898 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 614' ' ' VAL . . . . . 0.406 HG22 HG23 ' A' ' 729' ' ' VAL . 66.4 t -129.04 123.71 59.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.105 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 615' ' ' THR . . . . . . . . . . . . . 44.3 m -94.5 146.59 23.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.088 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 616' ' ' PHE . . . . . 0.501 ' HB3' ' CG2' ' A' ' 620' ' ' VAL . 33.2 m-85 -123.73 161.96 24.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 617' ' ' SER . . . . . 0.453 ' O ' HG22 ' A' ' 620' ' ' VAL . 2.9 t -100.42 153.44 19.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.875 -179.799 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 618' ' ' SER . . . . . . . . . . . . . 48.0 t -49.52 -21.27 0.91 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.897 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 619' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -58.2 -51.43 69.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.894 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 620' ' ' VAL . . . . . 0.501 ' CG2' ' HB3' ' A' ' 616' ' ' PHE . 30.1 m -77.72 -21.25 13.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.139 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 621' ' ' LEU . . . . . . . . . . . . . 21.0 mt -66.97 -61.88 1.71 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.947 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 622' ' ' GLN . . . . . . . . . . . . . 72.5 mt-30 -57.27 -52.76 64.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.916 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -44.64 -47.48 10.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.074 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 13.2 t -62.5 -46.98 85.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.852 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 625' ' ' GLY . . . . . . . . . . . . . . . 103.51 -155.84 17.85 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.484 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 626' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -83.64 45.73 1.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.918 0.39 . . . . 0.0 110.863 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 9.9 ptpt -132.61 169.04 17.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.93 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 628' ' ' GLU . . . . . 0.409 ' HA ' ' HD2' ' A' ' 629' ' ' PRO . 18.3 mp0 -115.61 92.76 34.62 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.648 0.737 . . . . 0.0 110.917 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 629' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' ' 628' ' ' GLU . 53.6 Cg_endo -69.8 110.95 2.69 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.689 2.259 . . . . 0.0 112.342 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 630' ' ' VAL . . . . . 0.416 ' CG1' ' CG1' ' A' ' 647' ' ' VAL . 14.6 t -79.91 134.74 26.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.117 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 631' ' ' THR . . . . . . . . . . . . . 71.8 p -153.34 160.88 42.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.087 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 632' ' ' PHE . . . . . 0.458 ' CE2' ' NE2' ' A' ' 683' ' ' HIS . 41.3 p90 -146.46 161.04 41.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.912 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 633' ' ' CYS . . . . . 0.433 ' SG ' HG22 ' A' ' 682' ' ' VAL . 99.0 m -94.65 157.22 16.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 634' ' ' THR . . . . . . . . . . . . . 12.8 p -154.2 138.26 16.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.151 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 635' ' ' TYR . . . . . 0.713 ' CD1' HD12 ' A' ' 680' ' ' LEU . 44.2 p90 -174.37 159.72 3.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.881 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 636' ' ' ALA . . . . . . . . . . . . . . . -112.42 161.48 16.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.079 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 637' ' ' PHE . . . . . 0.443 ' O ' ' C ' ' A' ' 638' ' ' TYR . 3.4 t80 -106.93 154.06 21.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 638' ' ' TYR . . . . . 0.547 ' O ' ' CD2' ' A' ' 640' ' ' PHE . 2.2 t80 -34.43 99.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.935 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 639' ' ' ASP . . . . . . . . . . . . . 3.3 t70 63.33 54.69 1.96 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.862 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 640' ' ' PHE . . . . . 0.547 ' CD2' ' O ' ' A' ' 638' ' ' TYR . 87.4 m-85 -147.68 143.07 27.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -48.59 168.38 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.886 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 642' ' ' LEU . . . . . 0.473 HD13 ' C ' ' A' ' 642' ' ' LEU . 2.8 tm? -79.4 113.55 17.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 643' ' ' GLN . . . . . . . . . . . . . 13.6 mm-40 -79.35 138.34 37.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.927 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 644' ' ' THR . . . . . . . . . . . . . 60.3 m -118.72 128.77 54.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.128 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 645' ' ' THR . . . . . 0.532 HG22 ' CD1' ' A' ' 657' ' ' PHE . 10.8 p -87.92 155.91 52.55 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.571 0.701 . . . . 0.0 111.131 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 646' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 123.57 10.22 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.683 2.255 . . . . 0.0 112.308 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 647' ' ' VAL . . . . . 0.416 ' CG1' ' CG1' ' A' ' 630' ' ' VAL . 25.0 t -68.73 134.69 29.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.14 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 42.0 t -136.82 142.44 37.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.092 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 649' ' ' ARG . . . . . . . . . . . . . 31.5 mtt85 -84.85 141.46 30.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.875 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 650' ' ' GLY . . . . . . . . . . . . . . . 123.21 158.36 10.16 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.508 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 651' ' ' LEU . . . . . 0.449 HD13 ' HA ' ' A' ' 651' ' ' LEU . 3.7 mm? -70.68 -47.81 57.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.859 0.361 . . . . 0.0 110.903 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 652' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -115.97 67.93 3.2 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.585 0.707 . . . . 0.0 110.873 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 653' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 161.95 43.93 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.727 2.285 . . . . 0.0 112.352 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -120.02 105.37 10.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.916 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 655' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 -85.86 -58.99 2.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.927 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 656' ' ' ASN . . . . . 0.462 ' HA ' ' CE1' ' A' ' 610' ' ' HIS . 15.1 m-80 63.92 29.57 14.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.862 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 657' ' ' PHE . . . . . 0.532 ' CD1' HG22 ' A' ' 645' ' ' THR . 0.6 OUTLIER -101.39 139.68 36.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 12.7 t -135.21 147.22 49.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.119 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 29.9 t -105.15 136.97 43.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -126.41 132.67 51.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.866 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 661' ' ' TYR . . . . . . . . . . . . . 27.5 m-85 -148.98 133.06 17.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.899 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 662' ' ' LEU . . . . . 0.564 HD11 ' HG2' ' A' ' 604' ' ' GLU . 0.3 OUTLIER -72.53 102.57 3.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.901 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 663' ' ' VAL . . . . . 0.497 ' O ' ' ND2' ' A' ' 605' ' ' ASN . 3.3 m -96.09 140.35 17.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.101 179.839 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 664' ' ' HIS . . . . . 0.557 ' O ' HG13 ' A' ' 665' ' ' VAL . 5.7 p80 -125.73 101.3 6.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.884 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 665' ' ' VAL . . . . . 0.711 HG23 ' HD2' ' A' ' 669' ' ' PHE . 0.0 OUTLIER -162.13 173.18 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.095 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 666' ' ' ASN . . . . . . . . . . . . . 68.4 m-80 -131.44 -70.42 0.59 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 667' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -90.39 -53.13 4.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.817 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 10.9 mp -43.3 -25.42 0.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.901 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 669' ' ' PHE . . . . . 0.711 ' HD2' HG23 ' A' ' 665' ' ' VAL . 0.7 OUTLIER -61.09 -60.5 3.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 670' ' ' LEU . . . . . 0.688 HD22 HD13 ' A' ' 704' ' ' LEU . 85.6 mt -64.4 -51.35 63.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.932 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 671' ' ' GLN . . . . . . . . . . . . . 8.7 mm-40 -49.23 -27.55 3.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 672' ' ' TYR . . . . . 0.494 ' CD1' ' C ' ' A' ' 672' ' ' TYR . 1.7 t80 -73.35 -47.25 43.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.922 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 673' ' ' ILE . . . . . . . . . . . . . 87.5 mt -70.15 -21.74 23.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.134 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 674' ' ' GLN . . . . . . . . . . . . . 8.5 mm-40 -87.61 -55.97 3.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.938 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 675' ' ' LYS . . . . . . . . . . . . . 35.9 mtpt -59.88 -70.1 0.18 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 676' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -103.01 177.76 4.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 677' ' ' THR . . . . . 0.428 ' CG2' ' HB3' ' A' ' 699' ' ' LYS . 20.3 p -135.83 -178.97 5.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.139 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 678' ' ' ILE . . . . . . . . . . . . . 18.9 mt -93.13 145.65 7.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.102 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 679' ' ' THR . . . . . 0.824 HG22 ' OE1' ' A' ' 681' ' ' GLU . 25.4 m -117.73 104.55 11.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.147 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 680' ' ' LEU . . . . . 0.81 HD13 HD11 ' A' ' 698' ' ' LEU . 7.2 tt -111.96 102.19 10.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.93 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 681' ' ' GLU . . . . . 0.824 ' OE1' HG22 ' A' ' 679' ' ' THR . 2.0 mp0 -101.69 134.78 44.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 682' ' ' VAL . . . . . 0.433 HG22 ' SG ' ' A' ' 633' ' ' CYS . 86.7 t -103.93 100.06 9.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.133 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 683' ' ' HIS . . . . . 0.484 ' CD2' ' H ' ' A' ' 683' ' ' HIS . 0.3 OUTLIER -95.83 154.87 17.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.842 179.935 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 684' ' ' GLN . . . . . . . . . . . . . 28.5 tt0 -87.25 159.16 18.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -122.54 102.78 8.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.068 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 686' ' ' TYR . . . . . 0.434 ' O ' ' C ' ' A' ' 687' ' ' SER . 74.7 m-85 -86.32 150.87 24.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.889 -179.845 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 687' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 686' ' ' TYR . 0.3 OUTLIER -34.05 -63.46 0.27 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.866 -179.844 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 688' ' ' THR . . . . . 0.509 HG23 ' OE1' ' A' ' 689' ' ' GLU . 10.2 t -119.99 22.32 11.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.135 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 689' ' ' GLU . . . . . 0.509 ' OE1' HG23 ' A' ' 688' ' ' THR . 7.1 mp0 -141.45 163.4 33.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 690' ' ' TYR . . . . . 0.471 ' CD1' ' C ' ' A' ' 689' ' ' GLU . 42.4 m-85 -154.26 120.18 5.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.906 -179.841 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 691' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -145.72 153.79 41.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.841 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 692' ' ' THR . . . . . 0.45 ' HA ' ' CB ' ' A' ' 683' ' ' HIS . 5.3 m -81.29 151.16 28.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.118 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 693' ' ' ILE . . . . . . . . . . . . . 30.2 pt -130.21 -31.09 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.155 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -135.66 160.66 37.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.089 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 695' ' ' ALA . . . . . . . . . . . . . . . -157.28 123.56 4.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.135 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 696' ' ' CYS . . . . . 0.427 ' HB3' HD23 ' A' ' 716' ' ' LEU . 3.7 p -141.65 158.08 44.27 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.936 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 697' ' ' GLN . . . . . . . . . . . . . 21.0 mp0 -112.66 130.0 56.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 698' ' ' LEU . . . . . 0.81 HD11 HD13 ' A' ' 680' ' ' LEU . 14.0 mt -94.67 135.48 36.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.943 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 699' ' ' LYS . . . . . 0.428 ' HB3' ' CG2' ' A' ' 677' ' ' THR . 2.5 pttt -152.73 125.25 8.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 700' ' ' PHE . . . . . 0.536 ' CD1' ' CD1' ' A' ' 733' ' ' PHE . 3.5 m-85 -94.06 125.3 38.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.915 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 701' ' ' HIS . . . . . . . . . . . . . 48.3 m-70 -89.05 -66.1 0.95 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.891 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 702' ' ' GLU . . . . . 0.594 ' HB2' HG21 ' A' ' 710' ' ' ILE . 23.1 mt-10 -47.91 -31.5 5.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 703' ' ' ILE . . . . . 0.64 ' CG2' HD22 ' A' ' 704' ' ' LEU . 0.0 OUTLIER -47.94 -29.62 2.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.174 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 704' ' ' LEU . . . . . 0.688 HD13 HD22 ' A' ' 670' ' ' LEU . 4.5 mm? -72.71 -44.5 61.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.904 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 705' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -83.73 -64.91 1.08 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.843 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 706' ' ' LYS . . . . . . . . . . . . . 12.9 mttm -82.62 172.68 12.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 707' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -147.42 126.6 12.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.858 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 708' ' ' GLY . . . . . 0.429 ' C ' ' HG2' ' A' ' 734' ' ' ARG . . . 124.43 -147.71 16.6 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.492 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 709' ' ' ARG . . . . . 0.487 ' N ' ' HG2' ' A' ' 734' ' ' ARG . 24.6 ttm180 -66.46 103.88 1.13 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.836 0.35 . . . . 0.0 110.811 -179.831 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 710' ' ' ILE . . . . . 0.594 HG21 ' HB2' ' A' ' 702' ' ' GLU . 53.8 mt -124.79 110.53 25.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.131 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 711' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -66.73 136.06 54.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 712' ' ' CYS . . . . . . . . . . . . . 2.2 m -162.17 165.9 26.32 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 713' ' ' THR . . . . . . . . . . . . . 53.0 p -148.15 164.43 33.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.153 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 714' ' ' ALA . . . . . . . . . . . . . . . -133.57 145.36 50.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.032 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 715' ' ' SER . . . . . . . . . . . . . 78.5 p -89.02 145.84 25.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.894 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 716' ' ' LEU . . . . . 0.427 HD23 ' HB3' ' A' ' 696' ' ' CYS . 16.5 mt -111.6 143.51 42.36 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.874 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 717' ' ' ILE . . . . . . . . . . . . . 5.3 mp -132.78 136.59 55.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.128 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 718' ' ' GLY . . . . . . . . . . . . . . . -67.62 153.57 52.92 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.48 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 719' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -87.06 -34.17 19.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.891 0.377 . . . . 0.0 111.152 -179.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 720' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -117.67 -49.81 2.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.938 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 721' ' ' GLY . . . . . . . . . . . . . . . -58.94 -12.82 16.51 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.459 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 722' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 49.22 50.82 17.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.809 0.337 . . . . 0.0 110.878 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 723' ' ' ILE . . . . . 0.426 ' HA ' ' HD2' ' A' ' 724' ' ' PRO . 17.7 mt -106.67 106.65 58.44 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.59 0.709 . . . . 0.0 111.123 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 724' ' ' PRO . . . . . 0.426 ' HD2' ' HA ' ' A' ' 723' ' ' ILE . 54.0 Cg_endo -69.75 -30.52 22.2 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.654 2.236 . . . . 0.0 112.404 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 725' ' ' ASN . . . . . . . . . . . . . 88.8 m-20 -97.61 32.89 2.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 726' ' ' PHE . . . . . . . . . . . . . 14.5 t80 -51.67 -37.47 50.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.921 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 727' ' ' GLY . . . . . . . . . . . . . . . 157.68 171.38 23.58 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.49 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 728' ' ' THR . . . . . . . . . . . . . 3.4 m -117.61 147.71 42.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.818 0.342 . . . . 0.0 111.144 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 729' ' ' VAL . . . . . 0.406 HG23 HG22 ' A' ' 614' ' ' VAL . 10.8 p -110.78 132.93 57.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.128 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -105.11 134.33 48.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 731' ' ' TYR . . . . . . . . . . . . . 13.1 p90 -164.54 164.86 21.64 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.949 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 732' ' ' TRP . . . . . 0.527 ' CE2' ' HB3' ' A' ' 610' ' ' HIS . 57.0 p-90 -144.22 128.91 18.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.926 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 733' ' ' PHE . . . . . 0.536 ' CD1' ' CD1' ' A' ' 700' ' ' PHE . 11.8 p90 -108.03 162.23 14.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.883 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 734' ' ' ARG . . . . . 0.487 ' HG2' ' N ' ' A' ' 709' ' ' ARG . 13.9 mtp-105 -157.53 130.58 7.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.919 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 735' ' ' LEU . . . . . . . . . . . . . 16.4 tp -115.08 105.15 12.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.903 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 736' ' ' ARG . . . . . . . . . . . . . 21.0 ttt180 -137.29 156.64 48.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 737' ' ' VAL . . . . . 0.513 HG22 ' N ' ' A' ' 738' ' ' SER . 15.0 p -55.6 160.12 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.126 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 738' ' ' SER . . . . . 0.513 ' N ' HG22 ' A' ' 737' ' ' VAL . 1.5 t . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 604' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.23 0.035 0 CA-C-O 120.882 0.372 . . . . 0.0 110.853 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 605' ' ' ASN . . . . . . . . . . . . . 44.8 m-80 -167.79 144.05 4.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.895 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 606' ' ' LEU . . . . . 0.486 HD12 ' O ' ' A' ' 661' ' ' TYR . 4.5 tp -124.92 142.49 51.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 607' ' ' PHE . . . . . 0.564 ' CE1' HD11 ' A' ' 609' ' ' ILE . 7.1 t80 -124.86 111.51 15.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 608' ' ' GLU . . . . . 0.415 ' OE1' ' N ' ' A' ' 608' ' ' GLU . 1.9 mp0 -106.14 145.44 31.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.874 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 609' ' ' ILE . . . . . 0.564 HD11 ' CE1' ' A' ' 607' ' ' PHE . 58.8 mt -145.07 105.61 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.129 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 610' ' ' HIS . . . . . 0.403 ' CD2' ' C ' ' A' ' 610' ' ' HIS . 1.3 t60 -120.76 137.44 54.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.855 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 20.2 mm -103.25 119.01 51.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.14 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 612' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -71.43 -68.07 0.47 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.887 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 613' ' ' LYS . . . . . . . . . . . . . 4.9 pttm -164.28 172.47 13.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 614' ' ' VAL . . . . . . . . . . . . . 60.6 t -120.35 114.79 45.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.161 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 615' ' ' THR . . . . . . . . . . . . . 79.4 m -87.09 137.51 32.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.11 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 616' ' ' PHE . . . . . 0.494 ' CD1' HG11 ' A' ' 620' ' ' VAL . 35.7 m-85 -106.89 163.66 12.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.861 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 617' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 618' ' ' SER . 1.0 OUTLIER -108.0 158.44 17.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.836 -179.795 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 618' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 617' ' ' SER . 71.9 p -36.11 -58.99 0.64 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.85 -179.823 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 619' ' ' GLU . . . . . 0.471 ' O ' ' HB2' ' A' ' 623' ' ' ALA . 4.5 tp10 -42.52 -47.57 5.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.886 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 620' ' ' VAL . . . . . 0.494 HG11 ' CD1' ' A' ' 616' ' ' PHE . 4.9 t -72.0 -36.93 59.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.157 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 621' ' ' LEU . . . . . 0.403 HD12 ' HA ' ' A' ' 618' ' ' SER . 41.3 mt -67.12 -65.56 0.67 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 622' ' ' GLN . . . . . . . . . . . . . 59.5 mt-30 -52.07 -41.97 62.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 623' ' ' ALA . . . . . 0.471 ' HB2' ' O ' ' A' ' 619' ' ' GLU . . . -43.74 -45.05 6.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.082 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 38.1 m -87.73 -48.38 7.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.887 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 625' ' ' GLY . . . . . . . . . . . . . . . 98.74 -130.22 10.15 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.508 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 626' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -85.15 36.73 0.64 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.858 0.361 . . . . 0.0 110.86 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 15.2 mmmt -123.79 162.38 23.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.943 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -112.45 116.03 48.88 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.674 0.749 . . . . 0.0 110.879 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 629' ' ' PRO . . . . . 0.423 ' HD2' HD22 ' A' ' 651' ' ' LEU . 53.4 Cg_endo -69.78 126.59 13.47 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.67 2.247 . . . . 0.0 112.32 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 630' ' ' VAL . . . . . 0.504 HG22 ' HA ' ' A' ' 649' ' ' ARG . 6.5 t -106.7 112.11 38.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.12 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 631' ' ' THR . . . . . . . . . . . . . 30.8 p -143.83 160.69 40.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.16 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 632' ' ' PHE . . . . . 0.634 ' CZ ' ' NE2' ' A' ' 683' ' ' HIS . 4.3 p90 -134.39 147.09 50.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.93 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 633' ' ' CYS . . . . . 0.707 ' O ' HG23 ' A' ' 645' ' ' THR . 0.6 OUTLIER -104.83 166.14 10.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.897 -179.899 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 634' ' ' THR . . . . . 0.538 HG22 ' HA ' ' A' ' 644' ' ' THR . 65.7 p -153.68 144.66 22.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.119 -179.846 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 635' ' ' TYR . . . . . 0.767 ' CD2' HD12 ' A' ' 680' ' ' LEU . 50.3 p90 -175.06 139.27 0.47 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.941 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 636' ' ' ALA . . . . . 0.666 ' HB2' HD12 ' A' ' 642' ' ' LEU . . . -107.36 148.17 29.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.147 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 637' ' ' PHE . . . . . 0.56 ' HE2' HG11 ' A' ' 663' ' ' VAL . 36.6 t80 -111.06 143.61 41.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.95 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 638' ' ' TYR . . . . . 0.526 ' HB3' ' CE2' ' A' ' 640' ' ' PHE . 4.9 t80 44.86 39.52 3.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.934 -179.835 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 639' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 54.43 48.63 20.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.909 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 640' ' ' PHE . . . . . 0.526 ' CE2' ' HB3' ' A' ' 638' ' ' TYR . 13.9 m-85 -103.58 176.09 5.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -57.77 117.74 4.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.887 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 642' ' ' LEU . . . . . 0.666 HD12 ' HB2' ' A' ' 636' ' ' ALA . 2.5 tp -61.21 137.12 58.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.926 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 643' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -117.66 123.03 45.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.915 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 644' ' ' THR . . . . . 0.538 ' HA ' HG22 ' A' ' 634' ' ' THR . 59.7 m -77.32 111.94 13.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.175 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 645' ' ' THR . . . . . 0.707 HG23 ' O ' ' A' ' 633' ' ' CYS . 52.5 p -51.75 150.85 6.73 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.602 0.715 . . . . 0.0 111.137 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 646' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 124.0 10.65 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.723 2.282 . . . . 0.0 112.303 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 647' ' ' VAL . . . . . . . . . . . . . 39.7 t -68.92 134.59 29.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.138 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 99.0 t -143.26 134.52 23.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.171 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 649' ' ' ARG . . . . . 0.504 ' HA ' HG22 ' A' ' 630' ' ' VAL . 7.7 ptt-85 -89.79 120.65 31.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.926 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 650' ' ' GLY . . . . . . . . . . . . . . . 159.08 169.41 22.39 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.462 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 651' ' ' LEU . . . . . 0.423 HD22 ' HD2' ' A' ' 629' ' ' PRO . 4.3 mm? -80.61 -61.09 2.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.832 0.348 . . . . 0.0 110.914 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 652' ' ' HIS . . . . . . . . . . . . . 6.5 m-70 -114.1 66.65 1.51 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.64 0.733 . . . . 0.0 110.837 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 653' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 169.95 17.72 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.682 2.254 . . . . 0.0 112.34 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 654' ' ' GLU . . . . . 0.409 ' O ' ' C ' ' A' ' 655' ' ' TYR . 5.2 mm-40 -125.35 77.29 1.63 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 655' ' ' TYR . . . . . 0.409 ' C ' ' O ' ' A' ' 654' ' ' GLU . 69.4 m-85 -36.83 -44.65 0.5 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.928 -179.847 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 4.8 m120 55.05 44.99 27.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.919 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 657' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -104.32 104.93 14.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.899 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 5.3 m -108.95 135.33 50.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.164 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 46.5 p -124.28 144.05 50.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.828 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 56.2 mt-30 -143.17 124.54 14.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.908 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 661' ' ' TYR . . . . . 0.486 ' O ' HD12 ' A' ' 606' ' ' LEU . 91.8 m-85 -147.06 123.73 11.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.896 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 662' ' ' LEU . . . . . 0.438 ' HA ' HD22 ' A' ' 662' ' ' LEU . 0.7 OUTLIER -73.22 101.59 3.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.942 179.946 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 663' ' ' VAL . . . . . 0.56 HG11 ' HE2' ' A' ' 637' ' ' PHE . 29.6 m -104.13 116.9 48.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.124 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 664' ' ' HIS . . . . . 0.47 ' CD2' ' H ' ' A' ' 664' ' ' HIS . 0.1 OUTLIER -83.32 99.74 10.21 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.831 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 665' ' ' VAL . . . . . 0.562 HG22 ' N ' ' A' ' 666' ' ' ASN . 7.3 p -145.69 166.75 9.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.111 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 666' ' ' ASN . . . . . 0.562 ' N ' HG22 ' A' ' 665' ' ' VAL . 12.8 m-80 -113.49 -174.97 2.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.913 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 667' ' ' ASP . . . . . 0.562 ' OD2' HD12 ' A' ' 670' ' ' LEU . 4.0 t70 -41.47 -44.12 2.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 668' ' ' LEU . . . . . 0.416 ' C ' ' O ' ' A' ' 667' ' ' ASP . 33.4 mt -35.51 -38.28 0.11 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 669' ' ' PHE . . . . . 0.546 ' HB2' HG21 ' A' ' 665' ' ' VAL . 7.0 t80 -50.52 -51.59 46.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.846 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 670' ' ' LEU . . . . . 0.562 HD12 ' OD2' ' A' ' 667' ' ' ASP . 61.7 mt -42.43 -40.94 2.73 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 671' ' ' GLN . . . . . . . . . . . . . 10.9 mm100 -51.83 -52.35 49.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.913 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 672' ' ' TYR . . . . . 0.466 ' CD1' ' C ' ' A' ' 672' ' ' TYR . 1.4 t80 -43.45 -45.25 6.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 -179.855 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 673' ' ' ILE . . . . . 0.501 ' CD1' HD12 ' A' ' 703' ' ' ILE . 8.8 mt -62.75 -37.46 79.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.172 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 674' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -73.28 -61.57 1.78 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.893 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 675' ' ' LYS . . . . . . . . . . . . . 6.1 mtpm? -60.52 -68.79 0.27 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.923 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 676' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -90.35 161.72 15.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.856 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 4.7 p -137.85 162.54 33.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.139 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 678' ' ' ILE . . . . . 0.445 ' O ' ' N ' ' A' ' 698' ' ' LEU . 4.6 mp -91.06 142.62 12.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.122 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 19.9 m -114.13 127.93 56.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.156 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 680' ' ' LEU . . . . . 0.767 HD12 ' CD2' ' A' ' 635' ' ' TYR . 6.8 tt -132.14 100.97 5.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.958 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 681' ' ' GLU . . . . . 0.401 ' HG2' ' HB1' ' A' ' 695' ' ' ALA . 11.9 mt-10 -97.98 150.98 20.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.924 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 682' ' ' VAL . . . . . . . . . . . . . 69.6 t -123.37 116.81 49.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.113 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 683' ' ' HIS . . . . . 0.634 ' NE2' ' CZ ' ' A' ' 632' ' ' PHE . 0.1 OUTLIER -114.49 156.41 24.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.855 179.924 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 684' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -89.42 142.58 27.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -98.17 109.15 21.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.093 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 686' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -99.14 168.02 10.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.886 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 687' ' ' SER . . . . . . . . . . . . . 39.1 t -50.55 -61.02 2.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.846 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 688' ' ' THR . . . . . . . . . . . . . 73.2 p -132.15 32.87 3.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.151 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 689' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -141.44 156.78 45.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 690' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -148.9 119.37 7.39 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.963 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 691' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -149.48 151.92 34.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.923 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 692' ' ' THR . . . . . . . . . . . . . 1.8 m -82.57 145.21 29.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.142 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 693' ' ' ILE . . . . . 0.522 HG22 ' HE2' ' A' ' 720' ' ' LYS . 2.8 pp -126.44 -7.78 5.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.163 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 694' ' ' ALA . . . . . 0.49 ' HA ' HG23 ' A' ' 719' ' ' THR . . . -165.91 149.94 8.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.106 179.824 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 695' ' ' ALA . . . . . 0.401 ' HB1' ' HG2' ' A' ' 681' ' ' GLU . . . -151.87 134.79 15.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.155 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 696' ' ' CYS . . . . . 0.442 ' HB3' HD23 ' A' ' 716' ' ' LEU . 16.7 p -146.44 165.47 29.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.867 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 697' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -117.69 112.09 20.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.926 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 698' ' ' LEU . . . . . 0.445 ' N ' ' O ' ' A' ' 678' ' ' ILE . 21.3 mt -70.05 125.52 26.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.922 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 699' ' ' LYS . . . . . . . . . . . . . 7.6 ptpt -150.14 129.53 12.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.919 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 700' ' ' PHE . . . . . 0.549 ' CD1' ' CE1' ' A' ' 733' ' ' PHE . 2.1 m-85 -108.38 125.26 51.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.861 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 701' ' ' HIS . . . . . . . . . . . . . 37.9 m-70 -89.26 -60.79 1.85 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.836 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 702' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -51.32 -29.14 14.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.904 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 703' ' ' ILE . . . . . 0.715 ' CG2' HD22 ' A' ' 704' ' ' LEU . 0.0 OUTLIER -54.51 -27.7 17.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.121 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 704' ' ' LEU . . . . . 0.715 HD22 ' CG2' ' A' ' 703' ' ' ILE . 4.2 mm? -74.46 -50.52 18.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.913 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 705' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -73.18 -56.53 4.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.936 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 706' ' ' LYS . . . . . . . . . . . . . 14.7 mttp -89.05 147.61 24.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.884 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 707' ' ' SER . . . . . . . . . . . . . 15.0 m -122.13 108.7 13.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.844 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 708' ' ' GLY . . . . . . . . . . . . . . . 137.55 -149.73 20.47 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.512 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 709' ' ' ARG . . . . . 0.454 ' CD ' ' O ' ' A' ' 709' ' ' ARG . 0.9 OUTLIER -60.52 117.13 4.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.805 0.336 . . . . 0.0 110.865 -179.889 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 710' ' ' ILE . . . . . 0.443 ' CD1' ' HA ' ' A' ' 703' ' ' ILE . 41.2 mt -138.69 110.71 5.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.17 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 711' ' ' PHE . . . . . . . . . . . . . 38.3 m-85 -79.23 127.8 32.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.88 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 712' ' ' CYS . . . . . . . . . . . . . 1.8 m -154.91 173.24 16.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.836 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 713' ' ' THR . . . . . . . . . . . . . 37.8 p -146.31 166.72 25.45 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.115 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 714' ' ' ALA . . . . . . . . . . . . . . . -136.21 137.53 40.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.118 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 715' ' ' SER . . . . . . . . . . . . . 63.6 m -78.56 149.49 33.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.812 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 716' ' ' LEU . . . . . 0.442 HD23 ' HB3' ' A' ' 696' ' ' CYS . 10.2 mt -116.69 139.48 50.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.912 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 717' ' ' ILE . . . . . . . . . . . . . 4.5 mp -123.71 122.4 64.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.193 179.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 718' ' ' GLY . . . . . . . . . . . . . . . -49.84 170.0 0.18 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.519 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 719' ' ' THR . . . . . 0.49 HG23 ' HA ' ' A' ' 694' ' ' ALA . 34.3 p -111.31 -24.22 10.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.888 0.375 . . . . 0.0 111.182 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 720' ' ' LYS . . . . . 0.522 ' HE2' HG22 ' A' ' 693' ' ' ILE . 0.0 OUTLIER -95.09 -71.81 0.65 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 179.891 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 721' ' ' GLY . . . . . 0.419 ' O ' ' C ' ' A' ' 722' ' ' ASP . . . -82.93 20.67 9.1 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.776 -0.725 . . . . 0.0 112.489 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 722' ' ' ASP . . . . . 0.419 ' C ' ' O ' ' A' ' 721' ' ' GLY . 7.1 m-20 36.18 45.0 0.3 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.798 0.332 . . . . 0.0 110.884 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 723' ' ' ILE . . . . . . . . . . . . . 56.6 mt -69.65 112.82 13.4 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.609 0.718 . . . . 0.0 111.123 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 724' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -46.26 1.3 Allowed 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.687 2.258 . . . . 0.0 112.312 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 725' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 -92.1 48.91 1.46 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.904 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 726' ' ' PHE . . . . . . . . . . . . . 27.6 t80 -67.01 -37.47 84.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.906 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 727' ' ' GLY . . . . . . . . . . . . . . . 159.0 172.92 26.72 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.476 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 728' ' ' THR . . . . . . . . . . . . . 2.7 m -120.01 144.16 47.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.892 0.377 . . . . 0.0 111.136 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 729' ' ' VAL . . . . . . . . . . . . . 13.0 p -102.19 134.58 42.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.096 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -105.52 107.02 17.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.882 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 731' ' ' TYR . . . . . . . . . . . . . 5.0 p90 -127.72 176.1 7.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 732' ' ' TRP . . . . . 0.555 ' CZ2' ' HB2' ' A' ' 734' ' ' ARG . 7.2 t90 -153.36 137.42 16.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.935 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 733' ' ' PHE . . . . . 0.549 ' CE1' ' CD1' ' A' ' 700' ' ' PHE . 19.3 p90 -133.98 152.99 52.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.879 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 734' ' ' ARG . . . . . 0.555 ' HB2' ' CZ2' ' A' ' 732' ' ' TRP . 18.1 ttp180 -145.88 131.16 18.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.854 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 735' ' ' LEU . . . . . . . . . . . . . 12.7 tp -128.52 107.67 9.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 736' ' ' ARG . . . . . 0.405 ' O ' ' C ' ' A' ' 737' ' ' VAL . 16.1 tpp180 -142.06 151.11 42.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.826 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 737' ' ' VAL . . . . . 0.405 ' C ' ' O ' ' A' ' 736' ' ' ARG . 1.5 p -37.68 -40.46 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.129 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 738' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.847 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 604' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.847 0.356 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 605' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -113.95 128.17 56.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 606' ' ' LEU . . . . . . . . . . . . . 45.9 tp -93.24 130.37 38.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 607' ' ' PHE . . . . . 0.79 ' CD1' ' CZ ' ' A' ' 637' ' ' PHE . 19.6 t80 -137.0 139.73 41.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 608' ' ' GLU . . . . . 0.584 ' OE2' ' CH2' ' A' ' 732' ' ' TRP . 3.0 pp20? -154.52 165.58 36.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.894 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 609' ' ' ILE . . . . . 0.664 HD11 ' HE1' ' A' ' 607' ' ' PHE . 5.3 mp -139.15 114.47 8.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.142 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 610' ' ' HIS . . . . . 0.436 ' HB3' ' NE1' ' A' ' 732' ' ' TRP . 8.6 t60 -99.63 116.31 31.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.833 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 49.2 mm -87.54 117.78 32.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.161 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 612' ' ' ASN . . . . . . . . . . . . . 44.3 t-20 -72.19 -62.75 1.32 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.884 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 613' ' ' LYS . . . . . . . . . . . . . 14.5 pttp -170.43 176.41 4.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.863 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 614' ' ' VAL . . . . . 0.663 HG23 ' HE2' ' A' ' 655' ' ' TYR . 88.6 t -115.08 115.47 49.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.143 179.822 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 615' ' ' THR . . . . . . . . . . . . . 95.3 m -87.26 135.72 33.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.162 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 616' ' ' PHE . . . . . 0.501 ' CD1' HG11 ' A' ' 620' ' ' VAL . 33.4 m-85 -112.24 166.71 11.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.893 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -125.78 163.31 23.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.846 -179.808 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 618' ' ' SER . . . . . . . . . . . . . 73.4 m -39.89 -60.62 0.98 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.873 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 619' ' ' GLU . . . . . 0.409 ' HB3' HD13 ' A' ' 723' ' ' ILE . 44.0 mm-40 -41.54 -35.96 0.82 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 620' ' ' VAL . . . . . 0.501 HG11 ' CD1' ' A' ' 616' ' ' PHE . 5.4 t -82.38 -56.34 6.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.105 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 621' ' ' LEU . . . . . 0.554 HD23 HD12 ' A' ' 651' ' ' LEU . 15.9 mt -46.82 -39.62 12.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 622' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -74.38 -49.38 22.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.919 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -43.31 -48.07 6.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.063 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 22.8 t -77.2 -43.52 33.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.855 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 625' ' ' GLY . . . . . . . . . . . . . . . 112.84 -163.0 12.19 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.459 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 626' ' ' ASP . . . . . . . . . . . . . 57.0 m-20 -83.82 41.37 0.79 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.841 0.353 . . . . 0.0 110.862 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 19.0 mmtp -123.49 176.98 5.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.927 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 628' ' ' GLU . . . . . 0.425 ' HA ' ' HD2' ' A' ' 629' ' ' PRO . 44.4 mt-10 -103.3 99.4 14.68 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.677 0.751 . . . . 0.0 110.893 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 629' ' ' PRO . . . . . 0.633 ' HD2' HD22 ' A' ' 651' ' ' LEU . 53.6 Cg_endo -69.76 110.38 2.54 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.704 2.269 . . . . 0.0 112.312 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 630' ' ' VAL . . . . . 0.57 HG12 ' CG2' ' A' ' 647' ' ' VAL . 11.2 t -86.8 120.6 36.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.15 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 631' ' ' THR . . . . . 0.45 ' O ' HG23 ' A' ' 647' ' ' VAL . 44.4 p -145.03 170.76 15.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.148 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 632' ' ' PHE . . . . . . . . . . . . . 25.1 p90 -155.42 152.94 29.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.905 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 633' ' ' CYS . . . . . 0.412 ' SG ' HG22 ' A' ' 682' ' ' VAL . 73.8 m -94.31 139.37 31.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.852 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 634' ' ' THR . . . . . . . . . . . . . 67.0 p -142.21 125.74 16.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.165 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 635' ' ' TYR . . . . . 0.4 ' CD1' HD12 ' A' ' 680' ' ' LEU . 18.6 p90 -170.2 169.57 7.74 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.955 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 636' ' ' ALA . . . . . . . . . . . . . . . -116.24 152.45 33.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.088 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 637' ' ' PHE . . . . . 0.79 ' CZ ' ' CD1' ' A' ' 607' ' ' PHE . 55.4 t80 -118.92 118.9 32.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.866 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 638' ' ' TYR . . . . . . . . . . . . . 6.3 t80 70.07 32.12 3.08 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.92 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 639' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 62.65 35.31 14.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.854 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 640' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -96.66 179.42 4.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -61.46 125.17 22.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.865 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 642' ' ' LEU . . . . . . . . . . . . . 1.6 tp -54.45 137.02 43.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.906 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 643' ' ' GLN . . . . . . . . . . . . . 7.7 tp-100 -113.44 119.56 38.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.901 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 644' ' ' THR . . . . . . . . . . . . . 49.3 m -85.17 121.5 28.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.167 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 645' ' ' THR . . . . . . . . . . . . . 52.1 p -79.13 153.1 77.11 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.578 0.704 . . . . 0.0 111.153 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 646' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 103.06 1.1 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.668 2.245 . . . . 0.0 112.343 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 647' ' ' VAL . . . . . 0.57 ' CG2' HG12 ' A' ' 630' ' ' VAL . 9.5 p -68.72 138.77 21.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.12 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 31.3 m -136.09 158.9 38.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.117 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 649' ' ' ARG . . . . . 0.415 ' N ' ' HD2' ' A' ' 649' ' ' ARG . 3.3 mpt_? -85.4 149.2 25.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.837 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 650' ' ' GLY . . . . . . . . . . . . . . . 125.01 166.45 12.37 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.477 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 651' ' ' LEU . . . . . 0.633 HD22 ' HD2' ' A' ' 629' ' ' PRO . 4.3 mm? -80.49 -65.61 0.99 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.825 0.345 . . . . 0.0 110.858 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 652' ' ' HIS . . . . . 0.486 ' CE1' ' H ' ' A' ' 616' ' ' PHE . 18.2 m170 -111.9 64.42 0.65 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.591 0.71 . . . . 0.0 110.852 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 653' ' ' PRO . . . . . 0.462 ' HD3' ' C ' ' A' ' 651' ' ' LEU . 54.1 Cg_endo -69.75 -174.06 0.83 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.653 2.235 . . . . 0.0 112.348 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -135.03 103.87 5.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.882 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 655' ' ' TYR . . . . . 0.663 ' HE2' HG23 ' A' ' 614' ' ' VAL . 14.9 m-85 -71.94 -56.92 4.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.922 -179.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 63.38 40.56 8.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.864 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 657' ' ' PHE . . . . . 0.539 ' CZ ' ' HB2' ' A' ' 659' ' ' SER . 3.5 t80 -84.41 135.57 34.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.85 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 39.3 m -135.52 136.88 41.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.169 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 659' ' ' SER . . . . . 0.539 ' HB2' ' CZ ' ' A' ' 657' ' ' PHE . 1.6 t -152.42 121.32 6.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.843 -179.853 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -110.28 147.58 33.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.879 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 661' ' ' TYR . . . . . . . . . . . . . 38.6 m-85 -150.76 132.87 15.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.916 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 662' ' ' LEU . . . . . 0.414 HD22 ' HA ' ' A' ' 662' ' ' LEU . 0.4 OUTLIER -72.63 114.29 10.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.959 179.916 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 663' ' ' VAL . . . . . 0.407 ' O ' HG23 ' A' ' 663' ' ' VAL . 15.4 m -115.64 119.18 61.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.1 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 664' ' ' HIS . . . . . . . . . . . . . 28.8 p-80 -88.26 97.66 11.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.852 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 665' ' ' VAL . . . . . 0.524 HG11 ' CD2' ' A' ' 669' ' ' PHE . 1.1 p -146.15 153.95 13.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.108 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 666' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -102.31 -174.04 2.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 667' ' ' ASP . . . . . 0.494 ' O ' ' N ' ' A' ' 669' ' ' PHE . 2.4 m-20 -41.55 -43.66 2.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 668' ' ' LEU . . . . . 0.457 ' C ' ' O ' ' A' ' 667' ' ' ASP . 4.3 mm? -33.95 -33.94 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 669' ' ' PHE . . . . . 0.524 ' CD2' HG11 ' A' ' 665' ' ' VAL . 42.1 t80 -53.1 -50.66 63.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.874 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 670' ' ' LEU . . . . . . . . . . . . . 38.9 mt -43.33 -45.22 5.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 671' ' ' GLN . . . . . 0.413 ' O ' ' C ' ' A' ' 672' ' ' TYR . 35.1 mt-30 -56.94 -58.48 7.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.923 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 672' ' ' TYR . . . . . 0.441 ' CD1' ' C ' ' A' ' 672' ' ' TYR . 0.3 OUTLIER -37.07 -37.71 0.17 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.895 -179.806 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 673' ' ' ILE . . . . . 0.482 HD13 HG21 ' A' ' 703' ' ' ILE . 88.7 mt -61.19 -55.16 26.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.149 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 674' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -68.15 -45.7 72.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 675' ' ' LYS . . . . . . . . . . . . . 33.8 mmtt -58.5 -64.87 0.77 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.92 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 676' ' ' ASN . . . . . 0.4 ' O ' ' O ' ' A' ' 673' ' ' ILE . 9.6 m-20 -111.4 164.22 13.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.893 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 20.0 p -125.55 164.57 20.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.128 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 678' ' ' ILE . . . . . . . . . . . . . 17.5 mt -87.46 133.08 31.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.135 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 55.6 m -100.57 107.85 19.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.164 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 680' ' ' LEU . . . . . 0.769 ' O ' HD23 ' A' ' 680' ' ' LEU . 6.1 tt -119.72 102.26 8.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.874 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 681' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 -106.87 137.01 45.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.897 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 682' ' ' VAL . . . . . 0.412 HG22 ' SG ' ' A' ' 633' ' ' CYS . 97.6 t -108.67 108.11 24.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.098 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 683' ' ' HIS . . . . . 0.421 ' CD2' ' H ' ' A' ' 683' ' ' HIS . 0.3 OUTLIER -95.5 155.11 16.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.83 179.925 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 684' ' ' GLN . . . . . 0.434 ' HG3' HG21 ' A' ' 693' ' ' ILE . 49.9 mt-30 -83.62 159.3 21.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.947 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -115.52 104.73 12.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.075 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 686' ' ' TYR . . . . . 0.599 ' CE1' ' OE1' ' A' ' 691' ' ' GLU . 39.2 p90 -128.67 132.29 48.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.962 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 687' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 686' ' ' TYR . 78.5 p 36.32 46.98 0.44 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.883 -179.85 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 688' ' ' THR . . . . . . . . . . . . . 2.3 p 62.77 38.57 11.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.154 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 689' ' ' GLU . . . . . 0.582 ' HB2' ' CE2' ' A' ' 686' ' ' TYR . 20.6 mt-10 -131.2 155.54 46.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 690' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -132.8 137.18 46.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.941 -179.856 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 691' ' ' GLU . . . . . 0.599 ' OE1' ' CE1' ' A' ' 686' ' ' TYR . 12.6 pt-20 -144.61 114.56 7.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.902 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 692' ' ' THR . . . . . . . . . . . . . 10.5 m -46.38 102.59 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.155 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 693' ' ' ILE . . . . . 0.589 HG23 ' O ' ' A' ' 691' ' ' GLU . 2.6 pp -95.74 -35.04 5.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.126 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 694' ' ' ALA . . . . . 0.57 ' CB ' HD12 ' A' ' 693' ' ' ILE . . . -142.15 145.03 33.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.102 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 695' ' ' ALA . . . . . . . . . . . . . . . -135.06 150.15 50.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.095 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 696' ' ' CYS . . . . . . . . . . . . . 22.0 p -156.32 160.0 39.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 697' ' ' GLN . . . . . . . . . . . . . 65.4 mm-40 -117.8 117.24 28.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.958 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 698' ' ' LEU . . . . . 0.653 HD11 HD13 ' A' ' 680' ' ' LEU . 15.7 mt -84.55 132.58 34.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.938 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 699' ' ' LYS . . . . . . . . . . . . . 8.6 ptpt -151.74 134.53 15.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 700' ' ' PHE . . . . . 0.694 ' CD2' ' CD1' ' A' ' 733' ' ' PHE . 3.4 m-85 -107.25 125.88 51.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.888 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 701' ' ' HIS . . . . . . . . . . . . . 29.2 m-70 -91.68 -55.43 3.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.878 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 702' ' ' GLU . . . . . 0.409 ' HB2' HG21 ' A' ' 710' ' ' ILE . 43.9 mm-40 -47.24 -43.43 21.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 703' ' ' ILE . . . . . 0.557 ' HB ' ' CE2' ' A' ' 733' ' ' PHE . 17.8 tt -46.29 -29.44 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.1 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 704' ' ' LEU . . . . . . . . . . . . . 17.5 mt -56.85 -40.19 75.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.945 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 705' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -103.46 -47.8 4.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 706' ' ' LYS . . . . . . . . . . . . . 85.2 mttt -89.99 -179.72 5.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 707' ' ' SER . . . . . . . . . . . . . 47.8 m -159.07 105.13 1.73 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.858 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 708' ' ' GLY . . . . . 0.4 ' C ' ' HA ' ' A' ' 734' ' ' ARG . . . 142.42 -153.34 24.41 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.536 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 709' ' ' ARG . . . . . 0.433 ' C ' HG13 ' A' ' 710' ' ' ILE . 13.0 ttm180 -61.55 116.7 4.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.776 0.322 . . . . 0.0 110.888 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 710' ' ' ILE . . . . . 0.492 HD12 ' CZ ' ' A' ' 733' ' ' PHE . 23.6 mt -141.27 114.6 4.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.109 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 711' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -58.61 117.29 4.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 712' ' ' CYS . . . . . . . . . . . . . 1.7 p -148.22 168.12 23.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.934 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 713' ' ' THR . . . . . . . . . . . . . 52.4 p -150.28 168.83 22.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.093 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 714' ' ' ALA . . . . . 0.63 ' O ' HG23 ' A' ' 728' ' ' THR . . . -137.65 153.86 49.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.094 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 715' ' ' SER . . . . . . . . . . . . . 41.3 p -93.43 160.4 14.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.856 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 716' ' ' LEU . . . . . . . . . . . . . 15.0 mt -125.02 140.03 53.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.938 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 717' ' ' ILE . . . . . 0.476 ' N ' HD12 ' A' ' 717' ' ' ILE . 4.6 mp -128.66 132.29 67.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.132 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 718' ' ' GLY . . . . . . . . . . . . . . . -74.78 137.84 22.94 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.49 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 719' ' ' THR . . . . . . . . . . . . . 19.7 p -78.03 -61.47 1.99 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.876 0.37 . . . . 0.0 111.141 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 720' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.39 42.85 0.77 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.94 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 721' ' ' GLY . . . . . . . . . . . . . . . -167.95 -31.36 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.458 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 722' ' ' ASP . . . . . . . . . . . . . 27.6 t70 65.41 41.72 4.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.781 0.324 . . . . 0.0 110.856 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 723' ' ' ILE . . . . . 0.409 HD13 ' HB3' ' A' ' 619' ' ' GLU . 67.3 mt -95.86 109.65 47.47 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.588 0.709 . . . . 0.0 111.12 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 724' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -32.53 18.3 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.67 2.246 . . . . 0.0 112.343 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 725' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -87.44 37.27 0.77 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.913 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 726' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -62.68 -50.44 71.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 727' ' ' GLY . . . . . . . . . . . . . . . 161.83 177.88 35.26 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.511 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 728' ' ' THR . . . . . 0.63 HG23 ' O ' ' A' ' 714' ' ' ALA . 7.8 m -126.68 147.27 49.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.823 0.344 . . . . 0.0 111.103 -179.818 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 729' ' ' VAL . . . . . 0.452 HG12 ' HB3' ' A' ' 714' ' ' ALA . 12.8 p -106.43 142.09 20.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.123 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -108.72 124.2 50.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.861 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 731' ' ' TYR . . . . . 0.423 ' CE2' HD22 ' A' ' 698' ' ' LEU . 4.7 p90 -156.34 163.7 39.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.92 -179.847 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 732' ' ' TRP . . . . . 0.584 ' CH2' ' OE2' ' A' ' 608' ' ' GLU . 57.6 p-90 -139.93 125.08 18.72 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.918 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 733' ' ' PHE . . . . . 0.694 ' CD1' ' CD2' ' A' ' 700' ' ' PHE . 38.0 p90 -106.13 158.03 17.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 734' ' ' ARG . . . . . 0.4 ' HA ' ' C ' ' A' ' 708' ' ' GLY . 51.3 ttt180 -148.9 116.31 6.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.827 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 735' ' ' LEU . . . . . . . . . . . . . 8.5 tp -113.65 104.81 12.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.925 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 736' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? -152.66 153.89 34.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.838 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 737' ' ' VAL . . . . . . . . . . . . . 8.1 p -57.65 137.09 20.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.129 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 738' ' ' SER . . . . . . . . . . . . . 24.4 p . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.826 -179.82 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 604' ' ' GLU . . . . . 0.795 ' CG ' HD11 ' A' ' 662' ' ' LEU . 3.2 tp10 . . . . . 0 N--CA 1.458 -0.07 0 CA-C-O 120.846 0.355 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 605' ' ' ASN . . . . . . . . . . . . . 36.6 m-80 -115.1 165.16 13.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 606' ' ' LEU . . . . . 0.601 HD12 ' O ' ' A' ' 661' ' ' TYR . 5.5 tp -141.59 131.07 23.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.934 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 607' ' ' PHE . . . . . 0.423 ' CE2' HD11 ' A' ' 609' ' ' ILE . 9.8 t80 -120.33 134.17 55.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.851 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 608' ' ' GLU . . . . . 0.495 ' OE1' ' N ' ' A' ' 608' ' ' GLU . 13.6 pm0 -140.21 139.44 35.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.905 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 609' ' ' ILE . . . . . 0.423 HD11 ' CE2' ' A' ' 607' ' ' PHE . 5.3 mp -123.73 112.7 34.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.123 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 610' ' ' HIS . . . . . 0.691 ' HB2' HG23 ' A' ' 658' ' ' THR . 0.3 OUTLIER -96.91 134.34 40.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.816 179.9 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 45.5 mm -99.13 103.78 15.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.095 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 612' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -58.52 -66.33 0.51 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 613' ' ' LYS . . . . . . . . . . . . . 6.7 pttp -166.95 178.16 5.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 614' ' ' VAL . . . . . 0.499 HG23 ' HE2' ' A' ' 655' ' ' TYR . 98.1 t -125.61 127.81 71.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.114 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 615' ' ' THR . . . . . . . . . . . . . 31.3 m -108.64 143.89 37.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.13 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 616' ' ' PHE . . . . . 0.484 ' HB3' ' CG2' ' A' ' 620' ' ' VAL . 42.6 m-85 -124.07 167.83 13.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.895 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 617' ' ' SER . . . . . 0.494 ' O ' ' N ' ' A' ' 619' ' ' GLU . 23.2 t -114.24 154.95 27.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.865 -179.834 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 618' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 617' ' ' SER . 13.1 t -35.84 -30.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.8 -179.843 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 619' ' ' GLU . . . . . 0.494 ' N ' ' O ' ' A' ' 617' ' ' SER . 7.3 mm-40 -45.45 -68.47 0.19 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.858 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 620' ' ' VAL . . . . . 0.484 ' CG2' ' HB3' ' A' ' 616' ' ' PHE . 3.3 m -66.6 -44.01 90.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.109 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 621' ' ' LEU . . . . . 0.478 ' N ' ' CG2' ' A' ' 620' ' ' VAL . 12.5 mt -39.61 -41.04 0.98 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.925 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 622' ' ' GLN . . . . . . . . . . . . . 9.0 mm-40 -78.0 -43.71 28.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.915 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -49.58 -44.73 47.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.111 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 19.2 m -77.66 -62.46 1.66 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 625' ' ' GLY . . . . . . . . . . . . . . . 115.37 -149.49 18.84 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.478 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 626' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -85.22 43.42 1.01 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.902 0.382 . . . . 0.0 110.86 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 627' ' ' LYS . . . . . 0.401 ' O ' ' HD3' ' A' ' 629' ' ' PRO . 28.4 pttt -129.22 161.64 29.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 628' ' ' GLU . . . . . 0.431 ' HA ' ' HD2' ' A' ' 629' ' ' PRO . 35.0 mt-10 -97.22 103.16 14.45 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.661 0.743 . . . . 0.0 110.892 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 629' ' ' PRO . . . . . 0.431 ' HD2' ' HA ' ' A' ' 628' ' ' GLU . 54.1 Cg_endo -69.72 114.98 3.88 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.726 2.284 . . . . 0.0 112.37 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 630' ' ' VAL . . . . . 0.452 HG12 ' CG2' ' A' ' 647' ' ' VAL . 13.0 t -89.82 124.46 42.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.159 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 631' ' ' THR . . . . . 0.519 HG22 ' HG2' ' A' ' 684' ' ' GLN . 81.1 p -143.04 163.32 33.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.12 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 632' ' ' PHE . . . . . 0.403 ' CD1' ' O ' ' A' ' 632' ' ' PHE . 15.3 p90 -147.88 141.5 25.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 633' ' ' CYS . . . . . . . . . . . . . 35.2 m -90.4 154.66 19.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.838 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 634' ' ' THR . . . . . . . . . . . . . 6.3 p -154.17 132.81 12.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.164 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 635' ' ' TYR . . . . . . . . . . . . . 10.5 p90 -160.87 177.78 10.06 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.919 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 636' ' ' ALA . . . . . . . . . . . . . . . -151.14 155.13 38.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.114 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 637' ' ' PHE . . . . . 0.632 ' CE2' HG11 ' A' ' 663' ' ' VAL . 14.1 t80 -112.76 138.99 48.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.921 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 638' ' ' TYR . . . . . 0.574 ' HB2' ' CE2' ' A' ' 640' ' ' PHE . 16.9 m-85 42.84 40.49 2.13 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.915 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 639' ' ' ASP . . . . . . . . . . . . . 45.0 m-20 58.33 37.66 25.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.853 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 640' ' ' PHE . . . . . 0.574 ' CE2' ' HB2' ' A' ' 638' ' ' TYR . 16.6 m-85 -89.81 175.02 7.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.927 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -52.11 129.14 26.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 642' ' ' LEU . . . . . . . . . . . . . 8.3 tp -65.31 141.58 58.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.911 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 643' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -113.32 115.95 28.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 644' ' ' THR . . . . . . . . . . . . . 31.6 m -84.65 112.7 20.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.132 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 645' ' ' THR . . . . . . . . . . . . . 20.3 p -70.81 154.82 94.08 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.577 0.703 . . . . 0.0 111.127 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 646' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.85 106.24 1.64 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.669 2.246 . . . . 0.0 112.353 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 647' ' ' VAL . . . . . 0.51 HG23 ' O ' ' A' ' 631' ' ' THR . 11.4 p -68.79 135.69 27.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.146 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 12.0 t -129.75 145.51 35.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.108 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 649' ' ' ARG . . . . . . . . . . . . . 29.5 mtm180 -84.67 116.19 23.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.845 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 650' ' ' GLY . . . . . . . . . . . . . . . 151.74 176.49 24.54 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.464 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 651' ' ' LEU . . . . . 0.442 ' C ' ' HD3' ' A' ' 653' ' ' PRO . 38.1 mt -85.28 -59.21 2.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.816 0.341 . . . . 0.0 110.952 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 652' ' ' HIS . . . . . . . . . . . . . 4.1 m170 -111.39 66.31 0.61 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.603 0.716 . . . . 0.0 110.845 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 653' ' ' PRO . . . . . 0.442 ' HD3' ' C ' ' A' ' 651' ' ' LEU . 53.4 Cg_endo -69.79 163.8 36.94 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.663 2.242 . . . . 0.0 112.346 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -114.28 82.11 1.65 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.872 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 655' ' ' TYR . . . . . 0.499 ' HE2' HG23 ' A' ' 614' ' ' VAL . 31.4 m-85 -52.51 -56.53 14.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.92 -179.838 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 56.8 m-20 60.0 45.05 12.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.9 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 657' ' ' PHE . . . . . 0.564 ' CZ ' ' HB2' ' A' ' 659' ' ' SER . 51.9 t80 -104.13 124.14 48.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 658' ' ' THR . . . . . 0.691 HG23 ' HB2' ' A' ' 610' ' ' HIS . 0.7 OUTLIER -125.94 100.16 6.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.136 -179.95 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 659' ' ' SER . . . . . 0.564 ' HB2' ' CZ ' ' A' ' 657' ' ' PHE . 7.4 t -93.68 165.6 12.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.856 -179.844 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 660' ' ' GLN . . . . . 0.455 ' HB3' HD11 ' A' ' 606' ' ' LEU . 10.4 mt-30 -131.56 130.33 42.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.933 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 661' ' ' TYR . . . . . 0.601 ' O ' HD12 ' A' ' 606' ' ' LEU . 68.1 m-85 -125.77 119.66 28.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.948 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 662' ' ' LEU . . . . . 0.795 HD11 ' CG ' ' A' ' 604' ' ' GLU . 1.0 OUTLIER -79.15 109.82 13.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.957 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 663' ' ' VAL . . . . . 0.632 HG11 ' CE2' ' A' ' 637' ' ' PHE . 33.2 m -130.94 114.57 27.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.092 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 664' ' ' HIS . . . . . 0.742 ' O ' HG13 ' A' ' 665' ' ' VAL . 15.9 p-80 -94.23 102.55 14.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.871 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 665' ' ' VAL . . . . . 0.742 HG13 ' O ' ' A' ' 664' ' ' HIS . 4.5 m -165.51 165.53 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.113 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 666' ' ' ASN . . . . . . . . . . . . . 51.9 t30 -134.32 -63.01 0.73 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.896 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 667' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -81.2 -47.15 13.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.835 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 11.0 mp -57.99 -16.87 14.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 669' ' ' PHE . . . . . 0.441 ' HE1' HD11 ' A' ' 703' ' ' ILE . 19.3 t80 -77.9 -41.53 36.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 670' ' ' LEU . . . . . 0.42 HD22 HD23 ' A' ' 704' ' ' LEU . 15.0 mt -72.49 -59.82 2.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.975 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 671' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -54.17 -18.33 3.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.934 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 672' ' ' TYR . . . . . 0.457 ' CD1' ' C ' ' A' ' 672' ' ' TYR . 1.1 t80 -80.44 -35.18 35.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.962 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 673' ' ' ILE . . . . . 0.901 HD13 HG21 ' A' ' 703' ' ' ILE . 98.3 mt -78.52 -24.24 13.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.165 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 674' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -87.65 -61.93 1.61 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.906 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 675' ' ' LYS . . . . . . . . . . . . . 54.3 mttm -58.03 -62.41 1.84 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.847 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 676' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -103.85 166.8 10.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.858 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 677' ' ' THR . . . . . 0.605 HG21 ' NZ ' ' A' ' 699' ' ' LYS . 35.0 p -139.54 176.52 8.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.088 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 678' ' ' ILE . . . . . 0.412 HG22 ' N ' ' A' ' 679' ' ' THR . 12.8 mt -88.98 152.71 3.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.159 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 679' ' ' THR . . . . . 0.726 HG23 HE22 ' A' ' 697' ' ' GLN . 23.8 m -119.07 104.26 10.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.148 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 680' ' ' LEU . . . . . 0.634 ' O ' HD23 ' A' ' 680' ' ' LEU . 7.6 tt -120.69 104.36 9.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.947 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 681' ' ' GLU . . . . . 0.558 ' HB2' ' CE1' ' A' ' 683' ' ' HIS . 4.0 mp0 -107.19 143.35 35.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 682' ' ' VAL . . . . . . . . . . . . . 91.4 t -101.14 104.54 16.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.126 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 683' ' ' HIS . . . . . 0.558 ' CE1' ' HB2' ' A' ' 681' ' ' GLU . 10.8 m-70 -99.43 135.87 40.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.832 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 684' ' ' GLN . . . . . 0.519 ' HG2' HG22 ' A' ' 631' ' ' THR . 31.5 mt-30 -86.5 121.87 29.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.919 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -88.78 102.54 15.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.132 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 686' ' ' TYR . . . . . 0.553 ' CD2' ' O ' ' A' ' 689' ' ' GLU . 2.9 m-85 -79.4 168.92 18.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 -179.814 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 687' ' ' SER . . . . . . . . . . . . . 62.7 m -72.75 3.64 4.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.836 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 688' ' ' THR . . . . . . . . . . . . . 35.3 p -133.67 -63.58 0.74 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.158 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 689' ' ' GLU . . . . . 0.553 ' O ' ' CD2' ' A' ' 686' ' ' TYR . 6.2 tt0 -130.7 179.26 6.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 690' ' ' TYR . . . . . 0.477 ' CD1' ' N ' ' A' ' 690' ' ' TYR . 0.1 OUTLIER -139.96 136.36 33.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.926 -179.841 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 691' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -139.45 152.97 47.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.878 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 692' ' ' THR . . . . . . . . . . . . . 8.6 m -67.03 138.95 57.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.161 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 693' ' ' ILE . . . . . . . . . . . . . 5.9 pt -128.08 -27.58 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.104 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -145.42 150.04 35.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.155 179.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 695' ' ' ALA . . . . . . . . . . . . . . . -152.29 138.47 18.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.12 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 696' ' ' CYS . . . . . 0.525 ' HB3' HD23 ' A' ' 716' ' ' LEU . 11.5 p -149.96 164.46 35.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.887 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 697' ' ' GLN . . . . . 0.726 HE22 HG23 ' A' ' 679' ' ' THR . 53.3 mm-40 -115.24 111.7 21.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.95 -179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 698' ' ' LEU . . . . . 0.589 HD11 ' HB2' ' A' ' 680' ' ' LEU . 1.8 mt -74.45 136.35 42.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.902 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 699' ' ' LYS . . . . . 0.605 ' NZ ' HG21 ' A' ' 677' ' ' THR . 0.4 OUTLIER -153.7 130.96 11.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 179.832 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 700' ' ' PHE . . . . . 0.604 ' CD2' ' CE1' ' A' ' 733' ' ' PHE . 0.7 OUTLIER -109.88 124.97 52.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.843 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 701' ' ' HIS . . . . . . . . . . . . . 55.1 m-70 -89.42 -43.19 11.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.867 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 702' ' ' GLU . . . . . 0.78 ' HB2' HG21 ' A' ' 710' ' ' ILE . 5.6 mm-40 -50.55 -42.79 55.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 703' ' ' ILE . . . . . 0.901 HG21 HD13 ' A' ' 673' ' ' ILE . 8.9 tt -49.54 -17.34 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.104 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 704' ' ' LEU . . . . . 0.42 HD23 HD22 ' A' ' 670' ' ' LEU . 30.2 mt -75.58 -35.34 60.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.927 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 705' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -111.98 -51.07 2.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 706' ' ' LYS . . . . . . . . . . . . . 25.2 mttt -88.23 177.42 6.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.876 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 707' ' ' SER . . . . . . . . . . . . . 2.2 t -161.33 132.04 5.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.805 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 708' ' ' GLY . . . . . . . . . . . . . . . 107.35 -127.69 8.9 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.468 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 709' ' ' ARG . . . . . 0.423 ' C ' HG13 ' A' ' 710' ' ' ILE . 30.4 ttm180 -62.24 97.83 0.1 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.743 0.306 . . . . 0.0 110.893 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 710' ' ' ILE . . . . . 0.78 HG21 ' HB2' ' A' ' 702' ' ' GLU . 17.8 mt -140.48 115.3 6.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.159 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 711' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -93.65 140.41 29.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.843 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 712' ' ' CYS . . . . . . . . . . . . . 2.7 t -152.48 173.63 14.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.939 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 713' ' ' THR . . . . . . . . . . . . . 21.8 p -141.6 167.91 21.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.151 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 714' ' ' ALA . . . . . . . . . . . . . . . -150.24 140.86 22.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.137 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 715' ' ' SER . . . . . . . . . . . . . 48.0 m -80.74 162.29 24.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.891 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 716' ' ' LEU . . . . . 0.525 HD23 ' HB3' ' A' ' 696' ' ' CYS . 7.6 mt -131.44 133.96 45.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.965 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 717' ' ' ILE . . . . . 0.451 ' N ' HD12 ' A' ' 717' ' ' ILE . 4.3 mp -111.31 145.02 18.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.089 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 718' ' ' GLY . . . . . . . . . . . . . . . -79.01 127.96 8.3 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.525 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 719' ' ' THR . . . . . . . . . . . . . 17.4 p -49.68 -75.3 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.879 0.371 . . . . 0.0 111.164 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 720' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -103.03 30.85 4.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.89 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 721' ' ' GLY . . . . . . . . . . . . . . . -121.19 -19.34 3.58 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.507 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 722' ' ' ASP . . . . . . . . . . . . . 43.8 m-20 53.79 36.49 24.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.827 0.346 . . . . 0.0 110.868 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 723' ' ' ILE . . . . . . . . . . . . . 67.6 mt -104.43 106.34 53.72 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.631 0.729 . . . . 0.0 111.123 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 724' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -37.43 9.24 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.717 2.278 . . . . 0.0 112.339 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 725' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 -84.8 30.11 0.59 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 726' ' ' PHE . . . . . . . . . . . . . 8.9 t80 -52.57 -47.01 67.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 727' ' ' GLY . . . . . . . . . . . . . . . 159.65 157.99 8.9 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.504 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 728' ' ' THR . . . . . . . . . . . . . 2.5 m -107.25 142.98 36.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.822 0.344 . . . . 0.0 111.173 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 729' ' ' VAL . . . . . . . . . . . . . 13.0 p -103.72 138.47 28.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.122 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -110.46 102.81 11.4 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.861 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 731' ' ' TYR . . . . . . . . . . . . . 18.0 p90 -117.92 162.06 18.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 732' ' ' TRP . . . . . 0.568 ' CH2' ' HB3' ' A' ' 734' ' ' ARG . 80.0 t90 -139.65 124.59 18.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.907 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 733' ' ' PHE . . . . . 0.604 ' CE1' ' CD2' ' A' ' 700' ' ' PHE . 23.4 p90 -119.3 159.19 24.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 734' ' ' ARG . . . . . 0.568 ' HB3' ' CH2' ' A' ' 732' ' ' TRP . 8.6 ptt180 -148.04 122.18 9.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 735' ' ' LEU . . . . . . . . . . . . . 58.2 tp -108.49 104.63 14.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 736' ' ' ARG . . . . . 0.757 ' HE ' HG12 ' A' ' 737' ' ' VAL . 0.0 OUTLIER -138.26 115.02 10.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.909 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 737' ' ' VAL . . . . . 0.757 HG12 ' HE ' ' A' ' 736' ' ' ARG . 5.8 p -37.36 147.47 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.112 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 738' ' ' SER . . . . . . . . . . . . . 7.0 t . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.878 -179.891 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 604' ' ' GLU . . . . . 0.428 ' CG ' HD11 ' A' ' 662' ' ' LEU . 0.0 OUTLIER . . . . . 0 CA--C 1.527 0.066 0 CA-C-O 120.873 0.368 . . . . 0.0 110.896 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 605' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 -114.19 170.47 8.26 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 606' ' ' LEU . . . . . . . . . . . . . 19.5 tp -142.61 138.63 30.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.936 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 607' ' ' PHE . . . . . 0.577 ' CZ ' ' HB2' ' A' ' 733' ' ' PHE . 27.0 t80 -122.55 108.13 12.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.894 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 608' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -96.74 139.05 33.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.888 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 609' ' ' ILE . . . . . 0.838 HD11 ' CD1' ' A' ' 637' ' ' PHE . 30.1 mt -134.87 107.96 9.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.132 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 610' ' ' HIS . . . . . 0.581 ' CD2' ' C ' ' A' ' 610' ' ' HIS . 0.3 OUTLIER -113.45 139.09 49.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.852 179.906 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 41.4 mm -102.14 125.54 56.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.088 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 612' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -78.1 -67.32 0.74 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.855 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 613' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.9 179.21 3.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.884 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 614' ' ' VAL . . . . . . . . . . . . . 98.7 t -130.88 116.16 33.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.172 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 615' ' ' THR . . . . . . . . . . . . . 44.8 m -87.8 138.05 31.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.112 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 616' ' ' PHE . . . . . 0.5 ' HB3' ' CG2' ' A' ' 620' ' ' VAL . 40.8 m-85 -113.98 167.25 10.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.922 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 617' ' ' SER . . . . . 0.464 ' O ' HG22 ' A' ' 620' ' ' VAL . 16.5 p -108.5 154.54 21.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.824 -179.763 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 618' ' ' SER . . . . . . . . . . . . . 81.2 p -41.9 -37.56 1.33 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.877 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 619' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -43.12 -67.65 0.26 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.887 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 620' ' ' VAL . . . . . 0.5 ' CG2' ' HB3' ' A' ' 616' ' ' PHE . 32.8 m -61.55 -29.81 46.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.107 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 621' ' ' LEU . . . . . 0.611 HD22 HD13 ' A' ' 651' ' ' LEU . 20.4 mt -62.16 -68.24 0.34 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 622' ' ' GLN . . . . . . . . . . . . . 3.5 mp0 -53.11 -44.61 67.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.933 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -52.65 -41.41 63.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.117 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 39.3 m -67.14 -69.16 0.33 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.825 -179.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 625' ' ' GLY . . . . . . . . . . . . . . . 125.58 -146.73 16.33 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.494 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 626' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -85.76 32.95 0.58 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.862 0.363 . . . . 0.0 110.869 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 39.7 mttp -146.92 121.08 9.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -74.37 118.68 71.79 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.661 0.743 . . . . 0.0 110.933 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 629' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 117.28 4.99 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.722 2.282 . . . . 0.0 112.342 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 630' ' ' VAL . . . . . . . . . . . . . 33.7 t -76.31 123.89 33.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.142 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 631' ' ' THR . . . . . 0.56 HG22 ' HG3' ' A' ' 684' ' ' GLN . 11.1 p -132.27 159.28 39.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.145 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 632' ' ' PHE . . . . . 0.649 ' CE1' ' NE2' ' A' ' 683' ' ' HIS . 39.5 p90 -144.31 136.96 26.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.851 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 633' ' ' CYS . . . . . 0.537 ' SG ' HG21 ' A' ' 645' ' ' THR . 0.8 OUTLIER -97.7 162.62 13.19 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.868 -179.956 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 634' ' ' THR . . . . . . . . . . . . . 32.5 p -154.39 136.86 15.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.11 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 635' ' ' TYR . . . . . 0.622 ' CD1' HD12 ' A' ' 680' ' ' LEU . 36.0 p90 -173.89 176.65 2.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.921 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 636' ' ' ALA . . . . . . . . . . . . . . . -151.65 161.8 42.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.109 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 637' ' ' PHE . . . . . 0.838 ' CD1' HD11 ' A' ' 609' ' ' ILE . 20.9 t80 -110.04 151.92 26.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.841 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 638' ' ' TYR . . . . . . . . . . . . . 4.0 t80 47.02 30.57 1.31 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.958 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 639' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 56.88 40.83 28.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.855 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 640' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -91.14 179.13 5.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -43.27 130.45 4.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.898 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 642' ' ' LEU . . . . . 0.448 HD13 ' C ' ' A' ' 642' ' ' LEU . 1.3 tm? -72.77 111.64 8.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.882 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 643' ' ' GLN . . . . . . . . . . . . . 6.8 mm-40 -98.96 133.49 43.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 644' ' ' THR . . . . . . . . . . . . . 98.2 m -93.16 128.19 39.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.134 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 645' ' ' THR . . . . . 0.537 HG21 ' SG ' ' A' ' 633' ' ' CYS . 16.6 p -69.54 151.88 96.5 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.622 0.725 . . . . 0.0 111.1 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 646' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 124.12 10.75 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.686 2.257 . . . . 0.0 112.316 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 647' ' ' VAL . . . . . . . . . . . . . 18.8 t -68.8 140.4 18.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.163 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 58.8 t -140.69 138.73 35.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.139 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 649' ' ' ARG . . . . . . . . . . . . . 76.9 mtm-85 -84.89 121.12 27.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.831 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 650' ' ' GLY . . . . . . . . . . . . . . . 142.94 170.26 12.79 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.474 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 651' ' ' LEU . . . . . 0.611 HD13 HD22 ' A' ' 621' ' ' LEU . 16.6 mt -88.91 -44.7 10.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.835 0.35 . . . . 0.0 110.905 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 652' ' ' HIS . . . . . . . . . . . . . 10.9 m-70 -113.26 67.56 1.17 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.54 0.686 . . . . 0.0 110.862 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 653' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 177.53 5.49 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.689 2.259 . . . . 0.0 112.338 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 654' ' ' GLU . . . . . 0.453 ' O ' ' C ' ' A' ' 655' ' ' TYR . 20.4 mt-10 -131.61 64.75 1.58 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.888 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 655' ' ' TYR . . . . . 0.453 ' C ' ' O ' ' A' ' 654' ' ' GLU . 89.8 m-85 -34.22 -62.15 0.34 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.966 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 656' ' ' ASN . . . . . 0.564 ' HA ' ' CE1' ' A' ' 610' ' ' HIS . 4.9 m-80 58.07 40.37 25.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.901 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 657' ' ' PHE . . . . . . . . . . . . . 36.5 t80 -88.58 141.7 28.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 26.9 m -119.18 126.4 51.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.128 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 1.1 t -119.1 128.6 54.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.846 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -120.58 113.6 20.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.859 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 661' ' ' TYR . . . . . . . . . . . . . 47.8 m-85 -124.53 112.15 16.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.95 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 662' ' ' LEU . . . . . 0.428 HD11 ' CG ' ' A' ' 604' ' ' GLU . 0.4 OUTLIER -72.78 111.4 7.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 663' ' ' VAL . . . . . . . . . . . . . 7.2 m -123.61 133.21 69.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.12 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 664' ' ' HIS . . . . . . . . . . . . . 16.3 p80 -107.43 97.47 7.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 665' ' ' VAL . . . . . 0.553 HG13 ' HD2' ' A' ' 669' ' ' PHE . 6.8 p -175.38 154.28 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.099 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 666' ' ' ASN . . . . . 0.444 ' N ' HG22 ' A' ' 665' ' ' VAL . 34.1 m-80 -130.54 -71.14 0.59 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.86 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 667' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -64.38 -53.64 45.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.841 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 668' ' ' LEU . . . . . 0.421 ' HB2' ' CG2' ' A' ' 665' ' ' VAL . 11.1 mp -60.88 -15.13 27.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.898 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 669' ' ' PHE . . . . . 0.553 ' HD2' HG13 ' A' ' 665' ' ' VAL . 6.2 t80 -68.84 -31.42 70.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.871 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 670' ' ' LEU . . . . . 0.423 ' O ' ' N ' ' A' ' 672' ' ' TYR . 48.5 mt -80.6 -63.38 1.42 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.876 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 671' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -40.25 -27.59 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.93 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 672' ' ' TYR . . . . . 0.423 ' N ' ' O ' ' A' ' 670' ' ' LEU . 28.0 t80 -71.88 -56.86 4.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 -179.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 673' ' ' ILE . . . . . 0.679 ' CD1' HD13 ' A' ' 703' ' ' ILE . 61.7 mt -59.57 -35.54 59.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.113 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 674' ' ' GLN . . . . . 0.468 ' HG3' ' CD2' ' A' ' 704' ' ' LEU . 19.5 mt-30 -71.3 -62.42 1.41 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 675' ' ' LYS . . . . . . . . . . . . . 50.8 mttp -57.87 -64.47 0.9 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 676' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -105.79 163.12 12.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.883 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 30.2 p -140.55 173.61 11.32 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.104 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 678' ' ' ILE . . . . . 0.497 ' O ' ' N ' ' A' ' 698' ' ' LEU . 4.8 mp -88.43 143.22 11.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.086 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 679' ' ' THR . . . . . 0.547 HG23 HE21 ' A' ' 697' ' ' GLN . 35.4 m -116.74 106.94 14.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.139 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 680' ' ' LEU . . . . . 0.778 ' O ' HD23 ' A' ' 680' ' ' LEU . 4.1 tt -118.15 106.44 12.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.941 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 681' ' ' GLU . . . . . 0.47 ' OE1' ' N ' ' A' ' 681' ' ' GLU . 3.4 mp0 -98.69 139.85 33.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.849 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 682' ' ' VAL . . . . . . . . . . . . . 93.3 t -97.57 98.15 7.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.119 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 683' ' ' HIS . . . . . 0.649 ' NE2' ' CE1' ' A' ' 632' ' ' PHE . 1.4 p-80 -97.44 129.79 44.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.808 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 684' ' ' GLN . . . . . 0.56 ' HG3' HG22 ' A' ' 631' ' ' THR . 42.8 tt0 -88.65 141.51 28.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.891 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -113.84 131.43 56.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.115 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 686' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -96.41 168.95 10.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.94 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 687' ' ' SER . . . . . . . . . . . . . 12.9 t -62.53 -6.81 3.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.851 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 688' ' ' THR . . . . . . . . . . . . . 35.2 p -119.49 -73.03 0.66 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.119 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 689' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -116.77 -176.02 2.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.848 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 690' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -145.66 141.39 28.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.912 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 691' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -149.71 155.61 40.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.911 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 692' ' ' THR . . . . . . . . . . . . . 51.8 m -72.12 134.71 45.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.147 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 693' ' ' ILE . . . . . . . . . . . . . 7.6 pt -124.37 -23.71 2.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.144 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -139.5 147.75 41.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.083 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 695' ' ' ALA . . . . . . . . . . . . . . . -145.87 124.2 12.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.135 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 696' ' ' CYS . . . . . . . . . . . . . 20.2 p -136.95 149.85 47.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.862 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 697' ' ' GLN . . . . . 0.547 HE21 HG23 ' A' ' 679' ' ' THR . 15.7 mp0 -102.53 117.69 35.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.942 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 698' ' ' LEU . . . . . 0.665 HD11 HD13 ' A' ' 680' ' ' LEU . 54.0 mt -77.77 127.24 32.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 699' ' ' LYS . . . . . . . . . . . . . 8.5 ptpt -155.37 137.31 14.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.898 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 700' ' ' PHE . . . . . 0.646 ' CD2' ' CD1' ' A' ' 733' ' ' PHE . 4.6 m-85 -112.67 125.01 53.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.853 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 701' ' ' HIS . . . . . . . . . . . . . 34.5 m-70 -89.15 -48.84 7.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.86 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 702' ' ' GLU . . . . . 0.409 ' CB ' HG21 ' A' ' 710' ' ' ILE . 17.7 mt-10 -50.15 -40.54 46.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 703' ' ' ILE . . . . . 0.679 HD13 ' CD1' ' A' ' 673' ' ' ILE . 13.5 tt -47.68 -19.1 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.131 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 704' ' ' LEU . . . . . 0.468 ' CD2' ' HG3' ' A' ' 674' ' ' GLN . 19.7 mt -79.55 -37.78 35.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.94 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 705' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -89.28 -46.75 8.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.865 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 706' ' ' LYS . . . . . 0.436 ' NZ ' HG12 ' A' ' 710' ' ' ILE . 1.7 ptmm? -121.39 169.2 10.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 707' ' ' SER . . . . . . . . . . . . . 50.9 m -144.86 127.86 16.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.866 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 708' ' ' GLY . . . . . 0.407 ' O ' ' N ' ' A' ' 710' ' ' ILE . . . 130.27 -135.29 8.24 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.499 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 709' ' ' ARG . . . . . . . . . . . . . 13.6 ptt180 -64.83 75.27 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.809 0.337 . . . . 0.0 110.848 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 710' ' ' ILE . . . . . 0.436 HG12 ' NZ ' ' A' ' 706' ' ' LYS . 26.1 mt -112.99 132.37 61.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.124 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 711' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -98.64 149.83 22.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 712' ' ' CYS . . . . . . . . . . . . . 17.9 m -161.89 174.97 12.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.862 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 713' ' ' THR . . . . . . . . . . . . . 24.6 p -148.7 167.58 25.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.126 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 714' ' ' ALA . . . . . . . . . . . . . . . -141.78 145.1 34.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.089 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 715' ' ' SER . . . . . . . . . . . . . 78.1 p -92.94 141.6 28.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 716' ' ' LEU . . . . . 0.527 ' C ' HD12 ' A' ' 717' ' ' ILE . 20.4 mt -106.28 149.35 26.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.904 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 717' ' ' ILE . . . . . 0.527 HD12 ' C ' ' A' ' 716' ' ' LEU . 4.8 mp -137.49 144.99 30.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.121 179.83 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 718' ' ' GLY . . . . . . . . . . . . . . . -85.07 149.75 24.31 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.493 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 719' ' ' THR . . . . . . . . . . . . . 43.7 p -91.19 -41.99 10.69 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.809 0.337 . . . . 0.0 111.123 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 720' ' ' LYS . . . . . 0.457 ' HE3' ' N ' ' A' ' 721' ' ' GLY . 0.0 OUTLIER -107.54 23.68 14.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.922 179.884 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 721' ' ' GLY . . . . . 0.457 ' N ' ' HE3' ' A' ' 720' ' ' LYS . . . -141.96 -34.1 0.11 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.471 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 722' ' ' ASP . . . . . . . . . . . . . 12.0 t70 67.33 34.99 4.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.82 0.343 . . . . 0.0 110.89 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 723' ' ' ILE . . . . . . . . . . . . . 72.7 mt -94.45 106.55 24.22 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.64 0.733 . . . . 0.0 111.148 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 724' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -27.12 26.93 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.7 2.267 . . . . 0.0 112.334 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 725' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -94.4 34.74 1.26 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.858 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 726' ' ' PHE . . . . . 0.481 ' CE1' HG11 ' A' ' 620' ' ' VAL . 4.1 t80 -61.23 -43.7 98.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 727' ' ' GLY . . . . . . . . . . . . . . . 158.81 154.24 7.12 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.479 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 728' ' ' THR . . . . . . . . . . . . . 15.0 m -105.53 148.49 27.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.84 0.353 . . . . 0.0 111.134 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 729' ' ' VAL . . . . . . . . . . . . . 7.6 p -109.72 138.6 36.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.099 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -109.33 136.29 49.01 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.891 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 731' ' ' TYR . . . . . . . . . . . . . 19.8 p90 -159.33 176.47 12.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.876 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 732' ' ' TRP . . . . . . . . . . . . . 60.0 p-90 -155.4 121.0 4.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.924 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 733' ' ' PHE . . . . . 0.646 ' CD1' ' CD2' ' A' ' 700' ' ' PHE . 30.8 p90 -105.98 147.77 28.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.868 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 734' ' ' ARG . . . . . . . . . . . . . 5.5 ptm180 -135.11 121.8 20.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.92 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 735' ' ' LEU . . . . . . . . . . . . . 42.1 tp -114.61 105.34 12.96 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.935 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 736' ' ' ARG . . . . . . . . . . . . . 2.7 tpm_? -154.75 151.17 28.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 737' ' ' VAL . . . . . . . . . . . . . 13.5 p -44.68 146.87 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.142 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 738' ' ' SER . . . . . . . . . . . . . 11.7 t . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.858 -179.879 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 604' ' ' GLU . . . . . 0.641 ' HB3' HD11 ' A' ' 662' ' ' LEU . 35.6 mp0 . . . . . 0 N--CA 1.458 -0.074 0 CA-C-O 120.861 0.362 . . . . 0.0 110.918 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 605' ' ' ASN . . . . . . . . . . . . . 11.9 m-20 -122.48 144.39 49.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.887 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 606' ' ' LEU . . . . . 0.478 HD23 ' N ' ' A' ' 607' ' ' PHE . 3.4 tt -130.08 130.1 44.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 607' ' ' PHE . . . . . 0.484 ' CD2' HD13 ' A' ' 735' ' ' LEU . 0.6 OUTLIER -111.85 122.46 47.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 179.921 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 608' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -113.8 128.88 56.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.857 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 609' ' ' ILE . . . . . . . . . . . . . 56.4 mt -125.88 106.96 16.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.185 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 610' ' ' HIS . . . . . 0.413 ' HB3' ' CE2' ' A' ' 732' ' ' TRP . 6.9 t-80 -115.11 134.43 55.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 22.3 mm -100.76 125.0 54.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.115 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 612' ' ' ASN . . . . . . . . . . . . . 14.3 m-20 -78.38 -66.54 0.84 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 613' ' ' LYS . . . . . . . . . . . . . 12.9 pttp -169.54 176.85 4.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 614' ' ' VAL . . . . . . . . . . . . . 41.7 t -122.6 119.23 57.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.139 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 615' ' ' THR . . . . . . . . . . . . . 27.7 m -90.65 145.44 24.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.137 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 616' ' ' PHE . . . . . 0.472 ' HB3' ' CG2' ' A' ' 620' ' ' VAL . 25.3 m-85 -121.83 166.82 13.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.869 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 1.5 t -108.51 152.46 24.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.867 -179.76 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 618' ' ' SER . . . . . 0.443 ' HA ' HD12 ' A' ' 621' ' ' LEU . 92.6 p -42.07 -27.25 0.12 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.862 -179.853 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 619' ' ' GLU . . . . . . . . . . . . . 63.7 mm-40 -50.39 -69.74 0.1 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 620' ' ' VAL . . . . . 0.472 ' CG2' ' HB3' ' A' ' 616' ' ' PHE . 16.1 m -57.58 -31.52 39.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.134 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 621' ' ' LEU . . . . . 0.561 ' CD2' ' CD2' ' A' ' 651' ' ' LEU . 19.4 mt -58.97 -52.68 64.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 622' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -65.68 -52.53 50.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.922 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -54.58 -37.28 65.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.076 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 3.3 m -65.61 -75.14 0.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.848 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 625' ' ' GLY . . . . . . . . . . . . . . . 124.24 -144.87 15.63 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.487 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 626' ' ' ASP . . . . . . . . . . . . . 40.9 m-20 -86.11 33.72 0.61 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.806 0.336 . . . . 0.0 110.846 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 16.7 ptpt -136.6 177.54 7.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -131.3 122.86 19.28 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.672 0.748 . . . . 0.0 110.917 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 629' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 120.15 6.98 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.681 2.254 . . . . 0.0 112.376 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 630' ' ' VAL . . . . . 0.55 HG22 ' HA ' ' A' ' 649' ' ' ARG . 38.9 t -90.38 110.36 21.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.161 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 631' ' ' THR . . . . . 0.596 HG22 ' HG2' ' A' ' 684' ' ' GLN . 6.1 p -130.47 173.28 11.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.211 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 632' ' ' PHE . . . . . 0.449 ' CE2' ' CE1' ' A' ' 683' ' ' HIS . 6.1 p90 -152.88 152.05 31.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.885 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 633' ' ' CYS . . . . . . . . . . . . . 80.7 m -97.7 143.28 28.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 634' ' ' THR . . . . . . . . . . . . . 13.2 p -142.07 130.59 22.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.132 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 635' ' ' TYR . . . . . 0.554 ' CD1' HD12 ' A' ' 680' ' ' LEU . 16.3 p90 -172.02 170.46 5.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.938 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 636' ' ' ALA . . . . . . . . . . . . . . . -123.69 158.42 31.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.089 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 637' ' ' PHE . . . . . . . . . . . . . 83.8 t80 -112.98 144.2 42.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.866 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 638' ' ' TYR . . . . . 0.524 ' HB3' ' CE2' ' A' ' 640' ' ' PHE . 8.1 t80 39.18 37.86 0.28 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.911 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 639' ' ' ASP . . . . . . . . . . . . . 31.7 m-20 58.87 48.92 10.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.829 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 640' ' ' PHE . . . . . 0.524 ' CE2' ' HB3' ' A' ' 638' ' ' TYR . 17.3 m-85 -110.15 -177.75 3.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.837 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -46.93 143.51 2.9 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.937 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 642' ' ' LEU . . . . . 0.405 HD13 ' N ' ' A' ' 643' ' ' GLN . 0.8 OUTLIER -73.2 114.0 10.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.941 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 643' ' ' GLN . . . . . 0.405 ' N ' HD13 ' A' ' 642' ' ' LEU . 5.7 tp-100 -91.54 120.17 32.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 644' ' ' THR . . . . . . . . . . . . . 98.7 m -99.07 120.78 40.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.13 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 645' ' ' THR . . . . . . . . . . . . . 35.8 p -74.29 153.23 88.17 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.548 0.689 . . . . 0.0 111.176 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 646' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 129.14 17.04 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.643 2.229 . . . . 0.0 112.341 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 647' ' ' VAL . . . . . . . . . . . . . 24.4 t -69.32 139.5 20.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.095 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 59.3 t -142.66 136.18 27.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.139 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 649' ' ' ARG . . . . . 0.55 ' HA ' HG22 ' A' ' 630' ' ' VAL . 29.3 mtt180 -85.13 112.16 20.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.85 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 650' ' ' GLY . . . . . . . . . . . . . . . 159.5 166.63 18.82 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.516 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 651' ' ' LEU . . . . . 0.561 ' CD2' ' CD2' ' A' ' 621' ' ' LEU . 5.0 mp -95.46 -31.82 13.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.808 0.337 . . . . 0.0 110.904 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 652' ' ' HIS . . . . . . . . . . . . . 9.4 m-70 -129.75 57.05 27.94 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.606 0.717 . . . . 0.0 110.875 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 653' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 -178.33 2.27 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.717 2.278 . . . . 0.0 112.329 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -131.69 76.43 1.71 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 655' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -43.08 -53.17 5.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.903 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 57.84 37.44 26.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.833 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 657' ' ' PHE . . . . . 0.544 ' CZ ' ' OG ' ' A' ' 659' ' ' SER . 10.2 t80 -87.01 142.96 27.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.879 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 7.3 m -128.16 110.42 12.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.166 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 659' ' ' SER . . . . . 0.544 ' OG ' ' CZ ' ' A' ' 657' ' ' PHE . 3.5 m -120.85 108.43 13.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.85 -179.835 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 660' ' ' GLN . . . . . 0.421 ' HB2' HD21 ' A' ' 606' ' ' LEU . 15.4 pt20 -145.55 146.63 31.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.971 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 661' ' ' TYR . . . . . . . . . . . . . 68.5 m-85 -154.62 150.63 27.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.939 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 662' ' ' LEU . . . . . 0.641 HD11 ' HB3' ' A' ' 604' ' ' GLU . 0.8 OUTLIER -72.44 105.6 4.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.949 179.932 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 663' ' ' VAL . . . . . . . . . . . . . 9.7 m -107.53 123.4 62.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.091 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 664' ' ' HIS . . . . . . . . . . . . . 44.7 m-70 -87.22 100.72 12.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.868 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 665' ' ' VAL . . . . . 0.689 HG22 ' H ' ' A' ' 666' ' ' ASN . 3.8 p -149.9 174.65 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.097 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 666' ' ' ASN . . . . . 0.689 ' H ' HG22 ' A' ' 665' ' ' VAL . 6.1 m120 -126.62 -174.7 3.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.888 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 667' ' ' ASP . . . . . 0.431 ' C ' ' O ' ' A' ' 666' ' ' ASN . 7.5 t70 -34.93 -33.0 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 668' ' ' LEU . . . . . 0.483 ' N ' ' O ' ' A' ' 666' ' ' ASN . 55.0 mt -40.36 -47.36 2.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 669' ' ' PHE . . . . . 0.424 ' HB2' HG11 ' A' ' 665' ' ' VAL . 24.6 t80 -44.32 -54.13 6.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 670' ' ' LEU . . . . . 0.479 HD22 ' O ' ' A' ' 703' ' ' ILE . 80.5 mt -45.14 -52.89 8.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.928 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 671' ' ' GLN . . . . . 0.416 ' O ' ' CG ' ' A' ' 674' ' ' GLN . 74.6 mt-30 -46.75 -58.43 3.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.935 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 672' ' ' TYR . . . . . 0.506 ' CD1' ' C ' ' A' ' 672' ' ' TYR . 0.2 OUTLIER -37.94 -39.43 0.38 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.91 -179.882 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 673' ' ' ILE . . . . . . . . . . . . . 5.3 mm -53.61 -51.65 40.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.141 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 674' ' ' GLN . . . . . 0.416 ' CG ' ' O ' ' A' ' 671' ' ' GLN . 4.8 pt20 -73.58 -34.67 65.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.925 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 675' ' ' LYS . . . . . . . . . . . . . 23.6 mtpp -72.46 -71.81 0.27 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.885 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 676' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -116.93 128.79 55.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 23.3 p -101.16 178.2 4.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.114 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 678' ' ' ILE . . . . . . . . . . . . . 4.5 mp -94.24 138.43 20.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.163 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 6.3 m -110.45 100.8 9.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.13 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 680' ' ' LEU . . . . . 0.554 HD12 ' CD1' ' A' ' 635' ' ' TYR . 7.1 tt -107.16 114.86 29.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.913 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 681' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -107.91 144.21 35.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.869 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 682' ' ' VAL . . . . . . . . . . . . . 83.1 t -110.64 112.35 40.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.13 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 683' ' ' HIS . . . . . 0.449 ' CE1' ' CE2' ' A' ' 632' ' ' PHE . 0.1 OUTLIER -106.15 155.5 19.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.858 179.936 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 684' ' ' GLN . . . . . 0.75 ' HG3' HD13 ' A' ' 693' ' ' ILE . 18.8 mt-30 -92.37 154.16 18.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.884 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -108.39 109.12 20.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.135 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 686' ' ' TYR . . . . . 0.458 ' HB2' ' CG ' ' A' ' 689' ' ' GLU . 10.5 m-85 -95.84 168.08 10.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.975 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 687' ' ' SER . . . . . 0.448 ' C ' ' O ' ' A' ' 686' ' ' TYR . 60.6 p -34.54 -73.58 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.832 -179.814 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 688' ' ' THR . . . . . . . . . . . . . 2.3 t -125.59 14.17 8.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.144 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 689' ' ' GLU . . . . . 0.458 ' CG ' ' HB2' ' A' ' 686' ' ' TYR . 3.3 pt-20 -128.95 167.97 16.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.931 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 690' ' ' TYR . . . . . 0.403 ' CG ' ' C ' ' A' ' 689' ' ' GLU . 0.7 OUTLIER -154.11 138.54 16.76 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.943 -179.873 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 691' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -149.42 150.28 32.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.886 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 692' ' ' THR . . . . . . . . . . . . . 5.7 m -73.73 133.9 43.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.11 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 693' ' ' ILE . . . . . 0.75 HD13 ' HG3' ' A' ' 684' ' ' GLN . 10.9 pt -117.75 -28.74 2.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.179 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 694' ' ' ALA . . . . . 0.464 ' N ' HG13 ' A' ' 693' ' ' ILE . . . -142.48 152.64 42.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.09 179.8 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 695' ' ' ALA . . . . . . . . . . . . . . . -150.42 133.52 16.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.121 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 696' ' ' CYS . . . . . . . . . . . . . 20.0 p -153.35 178.63 9.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 697' ' ' GLN . . . . . 0.528 ' N ' ' CD ' ' A' ' 697' ' ' GLN . 0.0 OUTLIER -130.19 140.52 50.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.935 -179.924 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 698' ' ' LEU . . . . . 0.554 HD22 ' CE2' ' A' ' 731' ' ' TYR . 32.4 mt -94.87 104.63 16.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 699' ' ' LYS . . . . . . . . . . . . . 7.9 ptpt -124.3 130.05 51.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 179.79 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 700' ' ' PHE . . . . . 0.653 ' O ' HG22 ' A' ' 703' ' ' ILE . 2.4 m-85 -110.29 125.16 52.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.865 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 701' ' ' HIS . . . . . . . . . . . . . 40.1 m-70 -88.57 -51.56 5.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.886 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 702' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -52.39 -24.09 7.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.868 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 703' ' ' ILE . . . . . 0.653 HG22 ' O ' ' A' ' 700' ' ' PHE . 13.0 tt -66.14 -4.24 2.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.141 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 704' ' ' LEU . . . . . . . . . . . . . 29.3 mt -91.7 -29.16 16.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.935 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 705' ' ' GLU . . . . . 0.455 ' CG ' ' N ' ' A' ' 706' ' ' LYS . 6.6 pt-20 -107.14 -46.26 3.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.876 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 706' ' ' LYS . . . . . 0.455 ' N ' ' CG ' ' A' ' 705' ' ' GLU . 4.9 ptpp? -111.94 140.51 46.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 707' ' ' SER . . . . . . . . . . . . . 93.7 p -124.13 114.41 19.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.828 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 708' ' ' GLY . . . . . 0.445 ' O ' ' N ' ' A' ' 710' ' ' ILE . . . 132.95 -145.86 17.81 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.517 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 709' ' ' ARG . . . . . . . . . . . . . 5.7 tmm_? -44.7 93.46 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.833 0.349 . . . . 0.0 110.852 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 710' ' ' ILE . . . . . 0.445 ' N ' ' O ' ' A' ' 708' ' ' GLY . 25.5 mt -139.28 147.39 24.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.091 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 711' ' ' PHE . . . . . . . . . . . . . 80.2 m-85 -114.06 139.44 49.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 712' ' ' CYS . . . . . . . . . . . . . 13.4 t -156.4 163.4 39.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.85 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 713' ' ' THR . . . . . . . . . . . . . 34.2 p -142.03 163.52 32.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.142 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 714' ' ' ALA . . . . . . . . . . . . . . . -131.65 161.73 32.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.091 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 715' ' ' SER . . . . . . . . . . . . . 45.9 t -103.34 137.83 40.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 716' ' ' LEU . . . . . . . . . . . . . 19.1 mt -107.93 138.07 44.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.902 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 717' ' ' ILE . . . . . . . . . . . . . 4.0 mp -123.18 142.67 38.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.096 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 718' ' ' GLY . . . . . . . . . . . . . . . -88.72 150.67 21.82 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.503 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 719' ' ' THR . . . . . . . . . . . . . 79.9 p -91.22 -70.98 0.66 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.847 0.356 . . . . 0.0 111.123 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 720' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -77.3 56.12 1.3 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 721' ' ' GLY . . . . . . . . . . . . . . . 176.14 -26.69 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.467 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 722' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 59.59 53.55 4.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.747 0.308 . . . . 0.0 110.873 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 723' ' ' ILE . . . . . . . . . . . . . 79.1 mt -103.85 106.72 54.04 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.625 0.726 . . . . 0.0 111.154 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 724' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -34.27 15.06 Favored 'Trans proline' 0 N--CA 1.465 -0.178 0 C-N-CA 122.752 2.301 . . . . 0.0 112.338 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 725' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -93.85 29.86 1.97 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 726' ' ' PHE . . . . . . . . . . . . . 25.2 t80 -52.37 -46.87 66.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 727' ' ' GLY . . . . . . . . . . . . . . . 171.99 178.8 42.51 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.49 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 728' ' ' THR . . . . . . . . . . . . . 2.6 m -131.52 145.73 51.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.85 0.357 . . . . 0.0 111.14 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 729' ' ' VAL . . . . . 0.469 HG13 ' CE2' ' A' ' 731' ' ' TYR . 8.8 p -107.77 129.66 61.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.154 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -105.68 129.66 53.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 731' ' ' TYR . . . . . 0.554 ' CE2' HD22 ' A' ' 698' ' ' LEU . 0.9 OUTLIER -157.97 168.23 27.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.936 -179.866 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 732' ' ' TRP . . . . . 0.413 ' CE2' ' HB3' ' A' ' 610' ' ' HIS . 63.7 p-90 -141.49 134.9 29.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.906 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 733' ' ' PHE . . . . . 0.556 ' CD1' ' CD2' ' A' ' 700' ' ' PHE . 31.0 p90 -118.89 148.32 43.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.866 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 734' ' ' ARG . . . . . . . . . . . . . 18.9 ttm180 -147.05 113.14 5.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.872 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 735' ' ' LEU . . . . . 0.484 HD13 ' CD2' ' A' ' 607' ' ' PHE . 25.5 tp -115.35 106.77 14.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 736' ' ' ARG . . . . . . . . . . . . . 33.3 mmm-85 -148.2 161.36 41.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 737' ' ' VAL . . . . . . . . . . . . . 9.0 p -60.84 132.5 26.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.099 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 738' ' ' SER . . . . . . . . . . . . . 11.2 t . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.884 -179.863 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 604' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 . . . . . 0 C--O 1.23 0.049 0 CA-C-O 120.895 0.379 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 605' ' ' ASN . . . . . . . . . . . . . 19.9 m-80 -128.99 131.33 47.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.904 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 606' ' ' LEU . . . . . . . . . . . . . 53.1 tp -121.54 115.91 23.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.94 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 607' ' ' PHE . . . . . 0.794 ' CD2' ' CE2' ' A' ' 637' ' ' PHE . 7.6 t80 -110.79 132.71 53.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 608' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -147.08 133.71 19.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 609' ' ' ILE . . . . . 0.461 HD11 ' CE2' ' A' ' 607' ' ' PHE . 5.4 mp -115.48 116.26 51.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.156 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 610' ' ' HIS . . . . . 0.538 ' CE1' ' HA ' ' A' ' 656' ' ' ASN . 12.4 t60 -102.13 103.26 13.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 48.8 mm -70.05 108.45 2.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.157 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 612' ' ' ASN . . . . . . . . . . . . . 36.3 t-20 -64.12 -66.33 0.56 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 613' ' ' LYS . . . . . . . . . . . . . 14.6 pttp -170.46 160.79 7.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 614' ' ' VAL . . . . . 0.436 ' O ' HG13 ' A' ' 614' ' ' VAL . 11.0 p -106.1 124.22 61.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.089 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 615' ' ' THR . . . . . . . . . . . . . 41.7 m -94.37 148.6 22.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.127 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 616' ' ' PHE . . . . . 0.51 ' HB3' ' CG2' ' A' ' 620' ' ' VAL . 61.2 m-85 -127.73 151.01 49.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.862 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 617' ' ' SER . . . . . 0.449 ' O ' ' C ' ' A' ' 618' ' ' SER . 3.5 m -100.52 150.05 23.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.837 -179.762 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 618' ' ' SER . . . . . 0.562 ' HA ' HD12 ' A' ' 621' ' ' LEU . 29.2 m -34.13 -39.65 0.08 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.833 -179.844 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 619' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -38.32 -67.27 0.21 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.917 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 620' ' ' VAL . . . . . 0.514 ' O ' ' HB3' ' A' ' 623' ' ' ALA . 23.8 m -68.47 -46.46 80.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.13 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 621' ' ' LEU . . . . . 0.562 HD12 ' HA ' ' A' ' 618' ' ' SER . 40.0 mt -43.26 -64.91 0.56 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 622' ' ' GLN . . . . . . . . . . . . . 34.7 mm-40 -51.46 -44.82 62.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 623' ' ' ALA . . . . . 0.514 ' HB3' ' O ' ' A' ' 620' ' ' VAL . . . -43.82 -46.59 7.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.129 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 13.3 t -69.02 -59.59 2.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.879 -179.763 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 625' ' ' GLY . . . . . . . . . . . . . . . 80.99 106.64 0.31 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.498 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 626' ' ' ASP . . . . . . . . . . . . . 14.6 t0 42.81 29.16 0.16 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.836 0.351 . . . . 0.0 110.858 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 22.3 mttm -143.76 142.19 30.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.911 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -112.02 116.77 49.06 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.649 0.738 . . . . 0.0 110.822 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 629' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 142.51 47.99 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.659 2.239 . . . . 0.0 112.339 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 630' ' ' VAL . . . . . . . . . . . . . 16.7 t -104.16 112.84 39.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.188 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 631' ' ' THR . . . . . 0.54 HG22 ' HA ' ' A' ' 684' ' ' GLN . 21.0 p -135.21 175.2 9.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.105 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 632' ' ' PHE . . . . . 0.712 ' CZ ' ' CD2' ' A' ' 683' ' ' HIS . 3.4 p90 -148.93 157.42 43.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 633' ' ' CYS . . . . . 0.477 ' SG ' HG22 ' A' ' 682' ' ' VAL . 89.4 m -108.56 137.22 46.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 634' ' ' THR . . . . . . . . . . . . . 41.1 p -138.69 127.42 23.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.089 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 635' ' ' TYR . . . . . 0.545 ' CD1' HD12 ' A' ' 680' ' ' LEU . 11.4 p90 -169.23 165.41 10.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 636' ' ' ALA . . . . . 0.4 ' HB2' HD12 ' A' ' 642' ' ' LEU . . . -118.24 161.96 19.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.125 179.857 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 637' ' ' PHE . . . . . 0.794 ' CE2' ' CD2' ' A' ' 607' ' ' PHE . 26.6 t80 -121.86 124.14 43.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.904 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 638' ' ' TYR . . . . . . . . . . . . . 7.1 t80 59.21 32.24 21.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.889 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 639' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 62.72 53.75 2.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 640' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -113.84 174.87 5.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -54.4 115.47 2.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.85 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 642' ' ' LEU . . . . . 0.4 HD12 ' HB2' ' A' ' 636' ' ' ALA . 2.1 tp -47.7 143.48 3.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.897 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 643' ' ' GLN . . . . . . . . . . . . . 2.7 tp60 -117.31 114.48 23.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.908 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 644' ' ' THR . . . . . . . . . . . . . 57.3 m -81.89 112.34 18.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.135 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 645' ' ' THR . . . . . . . . . . . . . 72.4 p -73.82 152.97 89.16 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.604 0.716 . . . . 0.0 111.115 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 646' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 122.68 9.35 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.665 2.243 . . . . 0.0 112.349 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 647' ' ' VAL . . . . . 0.624 HG22 ' HB3' ' A' ' 632' ' ' PHE . 74.7 t -68.25 132.46 32.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.119 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 78.7 t -131.37 130.74 63.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.094 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 649' ' ' ARG . . . . . . . . . . . . . 8.1 ptt180 -85.38 120.82 27.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.906 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 650' ' ' GLY . . . . . . . . . . . . . . . 147.87 146.12 4.29 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.457 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 651' ' ' LEU . . . . . 0.522 HD22 ' CD2' ' A' ' 621' ' ' LEU . 42.5 mt -61.04 -44.97 96.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.877 0.37 . . . . 0.0 110.914 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 652' ' ' HIS . . . . . . . . . . . . . 14.5 m-70 -113.9 75.65 2.96 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.557 0.694 . . . . 0.0 110.895 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 653' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 169.97 17.72 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.631 2.221 . . . . 0.0 112.322 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 31.9 mp0 -128.94 69.63 1.4 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.934 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 655' ' ' TYR . . . . . . . . . . . . . 68.3 m-85 -42.09 -65.16 0.49 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.943 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 656' ' ' ASN . . . . . 0.538 ' HA ' ' CE1' ' A' ' 610' ' ' HIS . 24.3 m-80 50.24 41.91 24.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.856 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 657' ' ' PHE . . . . . . . . . . . . . 24.8 t80 -102.21 139.22 38.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.948 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 14.6 m -125.79 145.98 49.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.124 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 2.1 t -144.65 125.03 13.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -103.38 138.09 40.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.912 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 661' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -148.69 121.12 8.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.903 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 662' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -77.78 115.75 17.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.944 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 663' ' ' VAL . . . . . 0.473 ' O ' HG23 ' A' ' 663' ' ' VAL . 20.3 m -124.46 115.58 45.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.129 179.844 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 664' ' ' HIS . . . . . 0.514 ' CG ' ' O ' ' A' ' 664' ' ' HIS . 47.7 p-80 -84.43 97.84 9.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 665' ' ' VAL . . . . . 0.491 ' CG2' ' HB2' ' A' ' 668' ' ' LEU . 9.8 p -174.97 152.14 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.145 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 666' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -130.74 -71.26 0.59 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.931 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 667' ' ' ASP . . . . . 0.401 ' C ' ' N ' ' A' ' 669' ' ' PHE . 0.5 OUTLIER -60.91 -63.49 1.28 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.865 179.918 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 668' ' ' LEU . . . . . 0.491 ' HB2' ' CG2' ' A' ' 665' ' ' VAL . 4.0 mm? -44.93 -22.36 0.09 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.907 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 669' ' ' PHE . . . . . 0.438 ' O ' ' CD2' ' A' ' 672' ' ' TYR . 1.0 OUTLIER -65.33 -49.34 69.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 670' ' ' LEU . . . . . 0.478 HD22 ' HA ' ' A' ' 704' ' ' LEU . 18.9 mt -78.83 -30.0 45.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.922 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 671' ' ' GLN . . . . . . . . . . . . . 58.5 mt-30 -63.64 -46.06 87.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.941 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 672' ' ' TYR . . . . . 0.657 ' CD1' ' C ' ' A' ' 672' ' ' TYR . 0.1 OUTLIER -65.23 -34.9 79.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 -179.851 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 673' ' ' ILE . . . . . 0.633 HD13 HG21 ' A' ' 703' ' ' ILE . 75.2 mt -74.86 -37.36 41.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.093 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 674' ' ' GLN . . . . . 0.484 ' CG ' HD22 ' A' ' 704' ' ' LEU . 9.3 mt-30 -74.6 -45.06 47.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.951 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 675' ' ' LYS . . . . . . . . . . . . . 31.2 mttm -76.58 -68.55 0.58 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 676' ' ' ASN . . . . . . . . . . . . . 5.8 m-80 -97.34 175.22 6.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.899 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 4.4 p -140.61 175.36 9.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.179 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 678' ' ' ILE . . . . . . . . . . . . . 23.6 mt -94.88 143.28 12.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.149 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 28.2 m -117.73 111.16 18.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.14 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 680' ' ' LEU . . . . . 0.673 ' O ' HD23 ' A' ' 680' ' ' LEU . 4.8 tt -115.48 109.71 18.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.999 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 681' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -101.0 144.62 29.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 682' ' ' VAL . . . . . 0.477 HG22 ' SG ' ' A' ' 633' ' ' CYS . 92.7 t -119.44 112.19 36.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.131 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 683' ' ' HIS . . . . . 0.712 ' CD2' ' CZ ' ' A' ' 632' ' ' PHE . 4.8 p-80 -105.36 163.51 12.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 684' ' ' GLN . . . . . 0.54 ' HA ' HG22 ' A' ' 631' ' ' THR . 33.5 tt0 -100.26 152.58 20.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.958 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -96.64 123.52 40.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.045 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 686' ' ' TYR . . . . . 0.53 ' CE1' ' HB3' ' A' ' 684' ' ' GLN . 9.5 m-85 -116.34 168.41 10.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.962 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 687' ' ' SER . . . . . . . . . . . . . 32.8 p -38.52 -69.7 0.12 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.858 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 688' ' ' THR . . . . . . . . . . . . . 63.6 p -134.1 27.53 3.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.094 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 689' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -141.48 169.4 17.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.908 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 690' ' ' TYR . . . . . . . . . . . . . 37.4 m-85 -153.78 140.74 19.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 691' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -149.59 149.74 31.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.906 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 692' ' ' THR . . . . . . . . . . . . . 31.0 m -92.7 113.81 26.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.14 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 693' ' ' ILE . . . . . 0.547 HD13 ' H ' ' A' ' 693' ' ' ILE . 0.2 OUTLIER -98.57 -16.77 6.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.139 179.923 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -138.07 161.01 37.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.095 179.775 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 695' ' ' ALA . . . . . . . . . . . . . . . -168.97 137.26 2.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.079 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 696' ' ' CYS . . . . . . . . . . . . . 18.0 p -151.33 178.7 9.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 697' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -131.66 116.42 17.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.931 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 698' ' ' LEU . . . . . 0.633 HD22 ' CE2' ' A' ' 731' ' ' TYR . 27.6 mt -74.89 138.02 42.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 699' ' ' LYS . . . . . . . . . . . . . 7.8 ptpp? -154.31 133.28 12.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.849 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 700' ' ' PHE . . . . . 0.578 ' CD1' ' CE1' ' A' ' 733' ' ' PHE . 3.3 m-85 -110.97 124.64 52.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.868 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 701' ' ' HIS . . . . . . . . . . . . . 40.9 m-70 -88.9 -47.08 8.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.86 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 702' ' ' GLU . . . . . 0.584 ' HB2' HG21 ' A' ' 710' ' ' ILE . 2.1 mp0 -53.38 -43.48 67.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.885 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 703' ' ' ILE . . . . . 0.633 HG21 HD13 ' A' ' 673' ' ' ILE . 13.4 tt -47.96 -18.46 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.15 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 704' ' ' LEU . . . . . 0.484 HD22 ' CG ' ' A' ' 674' ' ' GLN . 50.6 mt -76.29 -47.09 24.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.942 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 705' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -98.42 -48.9 4.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.914 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 706' ' ' LYS . . . . . 0.407 ' N ' ' O ' ' A' ' 702' ' ' GLU . 46.5 mttm -88.09 169.79 11.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.937 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 707' ' ' SER . . . . . . . . . . . . . 11.1 t -146.54 133.53 20.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.832 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 708' ' ' GLY . . . . . . . . . . . . . . . 113.39 -147.38 18.58 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.445 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 709' ' ' ARG . . . . . 0.437 ' C ' HG13 ' A' ' 710' ' ' ILE . 8.4 ptp180 -67.87 126.28 28.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.779 0.323 . . . . 0.0 110.866 -179.859 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 710' ' ' ILE . . . . . 0.584 HG21 ' HB2' ' A' ' 702' ' ' GLU . 49.5 mt -145.08 132.54 16.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.099 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 711' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -84.69 132.64 34.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 712' ' ' CYS . . . . . . . . . . . . . 13.6 t -162.35 165.13 26.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 713' ' ' THR . . . . . . . . . . . . . 34.8 p -145.56 168.82 19.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.134 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 714' ' ' ALA . . . . . 0.526 ' HB3' ' CG1' ' A' ' 729' ' ' VAL . . . -139.13 146.37 40.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.131 179.863 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 715' ' ' SER . . . . . . . . . . . . . 3.2 t -90.45 151.58 21.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.831 -179.74 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 716' ' ' LEU . . . . . . . . . . . . . 9.0 mt -118.9 143.3 47.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.898 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 717' ' ' ILE . . . . . . . . . . . . . 5.1 mp -129.31 147.9 33.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.118 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 718' ' ' GLY . . . . . . . . . . . . . . . -80.06 145.59 27.18 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.466 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 719' ' ' THR . . . . . . . . . . . . . 40.2 p -79.56 -57.54 3.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.86 0.362 . . . . 0.0 111.165 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 720' ' ' LYS . . . . . . . . . . . . . 22.7 mtmt -83.04 -47.88 11.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.93 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 721' ' ' GLY . . . . . . . . . . . . . . . -68.97 -27.67 73.7 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.515 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 722' ' ' ASP . . . . . . . . . . . . . 32.9 m-20 60.79 38.92 17.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.789 0.328 . . . . 0.0 110.882 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 723' ' ' ILE . . . . . . . . . . . . . 34.1 mt -90.0 116.61 66.78 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.673 0.749 . . . . 0.0 111.121 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 724' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 -33.81 15.73 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.645 2.23 . . . . 0.0 112.348 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 725' ' ' ASN . . . . . . . . . . . . . 76.1 m-20 -93.82 45.77 1.16 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 726' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -66.78 -44.14 82.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.854 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 727' ' ' GLY . . . . . . . . . . . . . . . 160.57 164.6 15.84 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.537 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 728' ' ' THR . . . . . . . . . . . . . 8.6 m -114.99 146.53 41.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.846 0.355 . . . . 0.0 111.167 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 729' ' ' VAL . . . . . 0.526 ' CG1' ' HB3' ' A' ' 714' ' ' ALA . 14.2 p -105.62 142.46 18.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.124 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -115.89 127.83 55.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.875 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 731' ' ' TYR . . . . . 0.633 ' CE2' HD22 ' A' ' 698' ' ' LEU . 3.1 p90 -157.6 174.56 15.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.949 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 732' ' ' TRP . . . . . 0.455 ' HE1' ' CD2' ' A' ' 610' ' ' HIS . 45.7 p-90 -155.21 123.67 5.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.91 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 733' ' ' PHE . . . . . 0.578 ' CE1' ' CD1' ' A' ' 700' ' ' PHE . 13.0 p90 -102.19 157.85 16.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.914 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 734' ' ' ARG . . . . . . . . . . . . . 24.7 ttp180 -144.79 117.47 8.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.863 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 735' ' ' LEU . . . . . . . . . . . . . 45.7 tp -116.21 104.77 11.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.95 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 736' ' ' ARG . . . . . . . . . . . . . 34.8 ttm180 -147.89 153.27 38.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 737' ' ' VAL . . . . . . . . . . . . . 10.0 p -47.36 151.21 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.154 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 738' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.843 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 604' ' ' GLU . . . . . 0.787 ' HG3' HD11 ' A' ' 662' ' ' LEU . 3.0 tp10 . . . . . 0 C--O 1.23 0.055 0 CA-C-O 120.855 0.359 . . . . 0.0 110.874 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 605' ' ' ASN . . . . . 0.451 ' ND2' ' OD1' ' A' ' 666' ' ' ASN . 90.8 m-20 -130.88 156.36 45.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.908 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 606' ' ' LEU . . . . . 0.549 ' O ' HD23 ' A' ' 606' ' ' LEU . 6.5 tt -126.49 114.68 18.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 607' ' ' PHE . . . . . 0.757 ' CD1' HD21 ' A' ' 735' ' ' LEU . 42.8 t80 -95.94 131.6 42.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.892 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 608' ' ' GLU . . . . . 0.449 ' OE2' ' CZ3' ' A' ' 732' ' ' TRP . 1.2 pp20? -141.18 139.03 33.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.863 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 609' ' ' ILE . . . . . 0.568 HD11 ' HE2' ' A' ' 607' ' ' PHE . 88.6 mt -119.96 125.77 74.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.13 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 610' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -125.44 106.52 9.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.842 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 44.0 mm -83.31 112.72 21.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.152 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 612' ' ' ASN . . . . . . . . . . . . . 32.0 m120 -67.13 -67.44 0.45 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 613' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.91 173.97 9.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.845 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 614' ' ' VAL . . . . . 0.64 HG22 HG23 ' A' ' 729' ' ' VAL . 87.3 t -128.15 136.32 60.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.142 179.849 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 615' ' ' THR . . . . . . . . . . . . . 26.1 m -107.78 143.16 36.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.178 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 616' ' ' PHE . . . . . 0.481 ' CD1' HG11 ' A' ' 620' ' ' VAL . 46.2 m-85 -117.46 155.23 30.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.91 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 617' ' ' SER . . . . . 0.449 ' CB ' ' O ' ' A' ' 725' ' ' ASN . 1.0 OUTLIER -99.94 154.22 18.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 -179.821 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 618' ' ' SER . . . . . 0.564 ' HA ' HD12 ' A' ' 621' ' ' LEU . 32.4 m -34.14 -61.92 0.34 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.836 -179.846 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 619' ' ' GLU . . . . . . . . . . . . . 6.0 mp0 -39.3 -43.69 1.18 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.87 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 620' ' ' VAL . . . . . 0.481 HG11 ' CD1' ' A' ' 616' ' ' PHE . 10.1 t -79.03 -38.61 20.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.121 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 621' ' ' LEU . . . . . 0.564 HD12 ' HA ' ' A' ' 618' ' ' SER . 69.8 mt -57.69 -49.2 77.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.928 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 622' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -65.08 -47.25 77.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -44.78 -45.35 9.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.102 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 60.0 p -60.54 -48.91 79.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.848 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 625' ' ' GLY . . . . . . . . . . . . . . . 95.14 -152.65 20.52 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.479 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 626' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -91.41 45.93 1.27 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.873 0.368 . . . . 0.0 110.872 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 10.2 ptpp? -142.66 172.64 12.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.935 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 628' ' ' GLU . . . . . 0.43 ' HA ' ' HD2' ' A' ' 629' ' ' PRO . 7.2 mp0 -113.32 93.13 25.12 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.595 0.712 . . . . 0.0 110.896 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 629' ' ' PRO . . . . . 0.43 ' HD2' ' HA ' ' A' ' 628' ' ' GLU . 54.0 Cg_endo -69.77 110.0 2.45 Favored 'Trans proline' 0 N--CA 1.465 -0.162 0 C-N-CA 122.695 2.263 . . . . 0.0 112.386 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 630' ' ' VAL . . . . . 0.757 HG22 ' HB3' ' A' ' 649' ' ' ARG . 13.2 t -74.42 133.45 31.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.153 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 631' ' ' THR . . . . . 0.777 HG22 ' HA ' ' A' ' 684' ' ' GLN . 43.9 p -142.12 162.56 35.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.114 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 632' ' ' PHE . . . . . 0.539 ' CE2' ' NE2' ' A' ' 683' ' ' HIS . 43.0 p90 -149.22 140.99 23.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.914 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 633' ' ' CYS . . . . . . . . . . . . . 73.6 m -89.77 155.26 19.31 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.907 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 634' ' ' THR . . . . . 0.424 ' HB ' HD11 ' A' ' 642' ' ' LEU . 45.6 p -146.43 122.82 10.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.124 -179.847 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 635' ' ' TYR . . . . . 0.404 ' O ' HD13 ' A' ' 642' ' ' LEU . 4.5 p90 -145.42 158.34 43.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 636' ' ' ALA . . . . . 0.711 ' HB2' HD22 ' A' ' 642' ' ' LEU . . . -119.47 158.39 26.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.073 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 637' ' ' PHE . . . . . 0.534 ' O ' ' C ' ' A' ' 638' ' ' TYR . 2.3 t80 -119.07 157.81 27.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 638' ' ' TYR . . . . . 0.609 ' O ' ' CD2' ' A' ' 640' ' ' PHE . 2.2 m-85 -25.96 108.71 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.935 -179.864 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 639' ' ' ASP . . . . . 0.446 ' C ' ' O ' ' A' ' 638' ' ' TYR . 2.4 m-20 34.78 54.07 0.67 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.819 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 640' ' ' PHE . . . . . 0.609 ' CD2' ' O ' ' A' ' 638' ' ' TYR . 20.0 m-85 -126.31 176.29 7.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.874 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -81.13 133.73 35.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.884 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 642' ' ' LEU . . . . . 0.711 HD22 ' HB2' ' A' ' 636' ' ' ALA . 0.2 OUTLIER -55.58 110.47 0.71 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 643' ' ' GLN . . . . . . . . . . . . . 7.0 tp-100 -81.26 115.78 20.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.961 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 644' ' ' THR . . . . . . . . . . . . . 92.9 m -96.07 113.22 24.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.124 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 645' ' ' THR . . . . . . . . . . . . . 2.6 p -60.54 157.54 36.04 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.539 0.685 . . . . 0.0 111.154 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 646' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 139.64 40.77 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.676 2.25 . . . . 0.0 112.366 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 647' ' ' VAL . . . . . 0.414 ' CG1' HG11 ' A' ' 630' ' ' VAL . 88.9 t -68.7 132.27 33.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.115 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 8.4 m -144.74 125.86 8.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.059 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 649' ' ' ARG . . . . . 0.757 ' HB3' HG22 ' A' ' 630' ' ' VAL . 11.0 ptm180 -90.84 153.13 20.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.82 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 650' ' ' GLY . . . . . . . . . . . . . . . 123.78 -176.52 16.79 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.529 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 651' ' ' LEU . . . . . 0.441 HD13 ' HA ' ' A' ' 651' ' ' LEU . 3.4 mm? -96.32 -58.79 1.98 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.845 0.355 . . . . 0.0 110.939 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 652' ' ' HIS . . . . . . . . . . . . . 10.9 m-70 -111.0 69.29 0.64 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.587 0.708 . . . . 0.0 110.897 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 653' ' ' PRO . . . . . 0.408 ' HD3' ' C ' ' A' ' 651' ' ' LEU . 53.6 Cg_endo -69.79 170.05 17.53 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.683 2.255 . . . . 0.0 112.31 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 654' ' ' GLU . . . . . 0.441 ' O ' ' C ' ' A' ' 655' ' ' TYR . 29.4 mt-10 -126.3 70.5 1.24 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 655' ' ' TYR . . . . . 0.441 ' C ' ' O ' ' A' ' 654' ' ' GLU . 80.9 m-85 -34.36 -54.38 0.52 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.972 -179.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 31.4 m-20 50.27 35.05 9.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.91 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 657' ' ' PHE . . . . . 0.444 ' CZ ' ' HB3' ' A' ' 659' ' ' SER . 4.3 t80 -98.83 120.26 38.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 7.3 m -120.14 120.91 37.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.12 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 659' ' ' SER . . . . . 0.444 ' HB3' ' CZ ' ' A' ' 657' ' ' PHE . 24.7 p -102.82 164.32 11.7 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 -179.868 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 -140.53 130.01 24.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.907 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 661' ' ' TYR . . . . . . . . . . . . . 80.2 m-85 -154.7 136.61 14.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.927 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 662' ' ' LEU . . . . . 0.787 HD11 ' HG3' ' A' ' 604' ' ' GLU . 1.1 tm? -94.98 121.82 36.98 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.939 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 663' ' ' VAL . . . . . 0.592 ' N ' HD13 ' A' ' 662' ' ' LEU . 30.4 m -128.16 137.83 56.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.11 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 664' ' ' HIS . . . . . 0.529 ' H ' ' CD2' ' A' ' 664' ' ' HIS . 3.8 p80 -101.8 100.62 10.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.85 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 665' ' ' VAL . . . . . 0.572 HG13 ' HB2' ' A' ' 669' ' ' PHE . 10.6 p -175.23 140.88 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.109 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 666' ' ' ASN . . . . . 0.451 ' OD1' ' ND2' ' A' ' 605' ' ' ASN . 71.5 m-20 -131.71 -56.9 1.0 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 667' ' ' ASP . . . . . . . . . . . . . 36.3 m-20 -63.33 -57.16 11.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.897 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 668' ' ' LEU . . . . . 0.437 HD13 ' CD ' ' A' ' 671' ' ' GLN . 3.9 mm? -66.49 -16.56 64.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 669' ' ' PHE . . . . . 0.572 ' HB2' HG13 ' A' ' 665' ' ' VAL . 9.0 t80 -74.87 -33.87 62.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.898 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 670' ' ' LEU . . . . . . . . . . . . . 42.8 mt -85.0 -66.2 0.92 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.913 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 671' ' ' GLN . . . . . 0.438 ' CG ' ' N ' ' A' ' 672' ' ' TYR . 17.9 pt20 -39.6 -53.65 2.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 672' ' ' TYR . . . . . 0.525 ' O ' ' N ' ' A' ' 676' ' ' ASN . 4.7 t80 -47.21 -52.65 15.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.933 -179.876 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 673' ' ' ILE . . . . . . . . . . . . . 25.2 mt -68.65 -30.5 47.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.131 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 674' ' ' GLN . . . . . 0.491 ' CG ' HD22 ' A' ' 704' ' ' LEU . 8.6 mt-30 -64.53 -48.32 75.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.875 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 675' ' ' LYS . . . . . 0.406 ' HG2' ' O ' ' A' ' 671' ' ' GLN . 0.0 OUTLIER -100.12 -53.06 3.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.911 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 676' ' ' ASN . . . . . 0.525 ' N ' ' O ' ' A' ' 672' ' ' TYR . 34.9 m-20 -84.35 157.84 21.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.864 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 44.8 p -140.96 170.64 15.35 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.089 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 678' ' ' ILE . . . . . . . . . . . . . 5.2 mp -92.02 118.21 37.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.111 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 679' ' ' THR . . . . . 0.528 HG22 ' CD ' ' A' ' 681' ' ' GLU . 34.5 m -87.36 102.13 14.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.176 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 680' ' ' LEU . . . . . 0.718 ' O ' HD23 ' A' ' 680' ' ' LEU . 7.3 tt -105.38 99.5 9.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.932 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 681' ' ' GLU . . . . . 0.528 ' CD ' HG22 ' A' ' 679' ' ' THR . 3.9 mp0 -94.21 137.38 33.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.865 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 682' ' ' VAL . . . . . . . . . . . . . 55.7 t -108.23 144.48 16.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.142 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 683' ' ' HIS . . . . . 0.539 ' NE2' ' CE2' ' A' ' 632' ' ' PHE . 1.3 p-80 -137.1 139.93 41.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.84 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 684' ' ' GLN . . . . . 0.777 ' HA ' HG22 ' A' ' 631' ' ' THR . 38.1 mt-30 -84.35 127.46 34.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -86.77 102.55 14.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.108 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 686' ' ' TYR . . . . . 0.541 ' CD2' ' O ' ' A' ' 689' ' ' GLU . 2.9 m-85 -81.02 163.38 23.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.934 -179.861 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 687' ' ' SER . . . . . . . . . . . . . 21.0 p -67.45 -5.1 13.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.9 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 688' ' ' THR . . . . . 0.469 HG23 ' H ' ' A' ' 689' ' ' GLU . 0.0 OUTLIER -124.38 -55.31 1.65 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.134 -179.917 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 689' ' ' GLU . . . . . 0.541 ' O ' ' CD2' ' A' ' 686' ' ' TYR . 1.3 tp10 -134.36 -178.4 5.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.869 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 690' ' ' TYR . . . . . 0.42 ' CD1' ' C ' ' A' ' 689' ' ' GLU . 0.5 OUTLIER -139.4 117.14 11.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.916 -179.859 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 691' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -126.67 153.04 45.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.894 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 692' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -70.33 140.62 52.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.151 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 693' ' ' ILE . . . . . 0.534 HD13 ' H ' ' A' ' 693' ' ' ILE . 0.1 OUTLIER -130.81 -4.16 2.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.153 179.912 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -162.29 140.62 8.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.136 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 695' ' ' ALA . . . . . . . . . . . . . . . -132.0 147.78 52.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.12 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 696' ' ' CYS . . . . . . . . . . . . . 14.0 p -168.53 150.27 4.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 697' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -119.22 110.28 16.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.852 -179.814 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 698' ' ' LEU . . . . . 0.715 HD23 ' CE1' ' A' ' 731' ' ' TYR . 4.7 mp -68.68 143.06 54.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 699' ' ' LYS . . . . . . . . . . . . . 10.0 pttp -152.3 129.97 11.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.927 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 700' ' ' PHE . . . . . 0.441 ' CD2' ' CD1' ' A' ' 733' ' ' PHE . 0.2 OUTLIER -101.64 123.99 46.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.892 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 701' ' ' HIS . . . . . . . . . . . . . 2.6 m80 -90.25 -39.35 12.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.887 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 702' ' ' GLU . . . . . 0.883 ' HB2' HG21 ' A' ' 710' ' ' ILE . 5.4 mm-40 -59.43 -38.7 81.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.894 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 703' ' ' ILE . . . . . . . . . . . . . 10.5 tt -52.04 -15.71 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.116 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 704' ' ' LEU . . . . . 0.491 HD22 ' CG ' ' A' ' 674' ' ' GLN . 36.3 mt -83.34 -41.62 18.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.916 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 705' ' ' GLU . . . . . . . . . . . . . 64.2 mm-40 -96.66 -57.77 2.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.889 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 706' ' ' LYS . . . . . . . . . . . . . 13.1 mttp -90.6 178.34 6.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.961 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 707' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -155.95 123.8 5.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.866 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 708' ' ' GLY . . . . . . . . . . . . . . . 120.57 -145.27 17.39 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.486 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 709' ' ' ARG . . . . . . . . . . . . . 4.6 mtp180 -51.97 99.42 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.794 0.331 . . . . 0.0 110.868 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 710' ' ' ILE . . . . . 0.883 HG21 ' HB2' ' A' ' 702' ' ' GLU . 22.6 mt -137.35 131.45 44.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.156 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 711' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -97.0 142.88 28.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 712' ' ' CYS . . . . . . . . . . . . . 4.8 m -155.36 164.33 38.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.949 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 713' ' ' THR . . . . . . . . . . . . . 21.6 p -140.23 170.28 16.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.162 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 714' ' ' ALA . . . . . 0.748 ' HB3' ' CG1' ' A' ' 729' ' ' VAL . . . -144.78 143.65 30.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.13 179.838 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 715' ' ' SER . . . . . . . . . . . . . 75.6 m -87.03 161.83 17.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.835 -179.754 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 716' ' ' LEU . . . . . . . . . . . . . 11.5 mt -130.38 144.88 51.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.919 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 717' ' ' ILE . . . . . . . . . . . . . 5.3 mp -135.85 114.5 15.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.156 179.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 718' ' ' GLY . . . . . . . . . . . . . . . -55.0 146.09 28.76 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.467 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 719' ' ' THR . . . . . . . . . . . . . 27.9 p -91.81 -63.79 1.2 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.9 0.381 . . . . 0.0 111.153 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 720' ' ' LYS . . . . . 0.466 ' HE3' ' N ' ' A' ' 720' ' ' LYS . 0.1 OUTLIER -75.53 48.61 0.45 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 179.891 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 721' ' ' GLY . . . . . . . . . . . . . . . 178.52 -29.04 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.511 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 722' ' ' ASP . . . . . . . . . . . . . 24.8 t70 68.41 45.07 1.21 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.768 0.318 . . . . 0.0 110.918 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 723' ' ' ILE . . . . . 0.419 ' HA ' ' HD2' ' A' ' 724' ' ' PRO . 69.7 mt -94.92 106.68 26.5 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.608 0.718 . . . . 0.0 111.144 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 724' ' ' PRO . . . . . 0.419 ' HD2' ' HA ' ' A' ' 723' ' ' ILE . 53.6 Cg_endo -69.75 -35.28 12.95 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.69 2.26 . . . . 0.0 112.363 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 725' ' ' ASN . . . . . 0.449 ' O ' ' CB ' ' A' ' 617' ' ' SER . 36.2 m-20 -84.09 34.66 0.51 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.919 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 726' ' ' PHE . . . . . 0.404 ' CE1' HG22 ' A' ' 620' ' ' VAL . 8.3 t80 -60.89 -38.84 87.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.904 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 727' ' ' GLY . . . . . . . . . . . . . . . 142.95 173.24 14.47 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.462 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 728' ' ' THR . . . . . . . . . . . . . 3.3 m -119.77 144.78 47.1 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.845 0.355 . . . . 0.0 111.137 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 729' ' ' VAL . . . . . 0.748 ' CG1' ' HB3' ' A' ' 714' ' ' ALA . 9.1 p -103.07 134.46 44.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.08 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -107.35 139.97 41.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 731' ' ' TYR . . . . . 0.715 ' CE1' HD23 ' A' ' 698' ' ' LEU . 42.1 p90 -155.14 177.47 11.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.928 -179.876 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 732' ' ' TRP . . . . . 0.592 ' CZ2' ' HB2' ' A' ' 734' ' ' ARG . 26.8 t90 -147.88 129.29 14.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.975 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 733' ' ' PHE . . . . . 0.441 ' CD1' ' CD2' ' A' ' 700' ' ' PHE . 18.5 p90 -126.54 150.93 48.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.865 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 734' ' ' ARG . . . . . 0.592 ' HB2' ' CZ2' ' A' ' 732' ' ' TRP . 58.9 ttt180 -148.99 111.97 4.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 735' ' ' LEU . . . . . 0.757 HD21 ' CD1' ' A' ' 607' ' ' PHE . 3.6 mm? -103.55 108.34 19.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.958 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 736' ' ' ARG . . . . . . . . . . . . . 9.3 tpp85 -139.56 135.94 33.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 737' ' ' VAL . . . . . . . . . . . . . 7.9 p -47.49 131.94 4.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.135 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 738' ' ' SER . . . . . . . . . . . . . 24.8 t . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.887 -179.828 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 604' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.797 0.332 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 605' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -121.13 173.83 7.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.848 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 606' ' ' LEU . . . . . . . . . . . . . 8.3 tp -140.6 139.28 34.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.905 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 607' ' ' PHE . . . . . 0.535 ' CG ' ' CZ ' ' A' ' 637' ' ' PHE . 8.0 t80 -139.52 139.46 36.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 608' ' ' GLU . . . . . 0.412 ' C ' HG13 ' A' ' 609' ' ' ILE . 1.5 pm0 -150.2 168.27 24.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.902 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 609' ' ' ILE . . . . . 0.412 HG13 ' C ' ' A' ' 608' ' ' GLU . 79.5 mt -147.11 134.39 14.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.107 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 610' ' ' HIS . . . . . 0.47 ' HB3' ' NE1' ' A' ' 732' ' ' TRP . 73.7 t60 -131.05 138.5 49.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.834 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 41.9 mm -107.69 133.17 53.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.161 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 612' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -84.59 -64.62 1.13 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 613' ' ' LYS . . . . . . . . . . . . . 2.1 pttm -167.89 163.59 13.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.912 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 614' ' ' VAL . . . . . . . . . . . . . 92.7 t -122.71 121.74 64.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.13 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 615' ' ' THR . . . . . 0.492 HG22 ' N ' ' A' ' 616' ' ' PHE . 14.0 m -89.4 161.21 16.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.144 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 616' ' ' PHE . . . . . 0.567 ' HB3' HG21 ' A' ' 620' ' ' VAL . 23.8 m-85 -135.79 146.59 47.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 1.1 t -90.54 171.65 9.26 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.859 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 618' ' ' SER . . . . . . . . . . . . . 66.1 m -63.09 -20.32 65.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.842 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 619' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -63.16 -66.61 0.52 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.878 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 620' ' ' VAL . . . . . 0.567 HG21 ' HB3' ' A' ' 616' ' ' PHE . 35.9 m -52.04 -27.54 9.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.107 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 621' ' ' LEU . . . . . . . . . . . . . 80.4 mt -72.07 -61.61 1.73 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.954 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 622' ' ' GLN . . . . . . . . . . . . . 58.4 mm-40 -48.62 -46.07 39.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.912 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -66.21 -38.14 87.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.03 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 19.4 m -66.93 -65.42 0.68 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.84 -179.75 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 625' ' ' GLY . . . . . . . . . . . . . . . 132.97 -166.95 23.5 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.47 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 626' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -93.76 44.12 1.12 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.874 0.368 . . . . 0.0 110.868 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 17.9 mtpt -139.78 110.74 6.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 26.4 mp0 -38.65 100.2 0.2 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.629 0.728 . . . . 0.0 110.88 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 629' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 111.06 2.71 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.695 2.263 . . . . 0.0 112.366 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 630' ' ' VAL . . . . . 0.583 HG12 ' CG2' ' A' ' 647' ' ' VAL . 11.7 t -81.91 112.09 19.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.148 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 631' ' ' THR . . . . . 0.62 HG22 ' HA ' ' A' ' 684' ' ' GLN . 14.4 p -133.3 167.09 21.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.146 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 632' ' ' PHE . . . . . 0.641 ' CE1' ' NE2' ' A' ' 683' ' ' HIS . 42.9 p90 -144.46 158.56 43.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 633' ' ' CYS . . . . . 0.598 ' O ' HG23 ' A' ' 645' ' ' THR . 0.8 OUTLIER -105.69 158.9 16.39 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 -179.895 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 634' ' ' THR . . . . . . . . . . . . . 65.9 p -149.05 146.61 27.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.128 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 635' ' ' TYR . . . . . . . . . . . . . 43.6 p90 -174.85 146.3 0.91 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.931 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 636' ' ' ALA . . . . . . . . . . . . . . . -112.7 159.82 18.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.057 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 637' ' ' PHE . . . . . 0.535 ' CZ ' ' CG ' ' A' ' 607' ' ' PHE . 48.8 t80 -120.57 145.28 47.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.851 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 638' ' ' TYR . . . . . 0.517 ' HB3' ' CD2' ' A' ' 640' ' ' PHE . 2.6 t80 41.66 32.47 0.25 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 639' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 59.65 42.42 17.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.907 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 640' ' ' PHE . . . . . 0.517 ' CD2' ' HB3' ' A' ' 638' ' ' TYR . 16.6 m-85 -103.46 -179.69 4.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.923 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 2.0 pm0 -41.64 129.22 3.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.905 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 642' ' ' LEU . . . . . 0.623 HD13 ' C ' ' A' ' 642' ' ' LEU . 0.8 OUTLIER -64.9 109.63 2.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.927 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 643' ' ' GLN . . . . . 0.544 ' N ' HD13 ' A' ' 642' ' ' LEU . 2.7 tp60 -84.09 117.27 23.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 644' ' ' THR . . . . . . . . . . . . . 95.9 m -92.71 122.45 35.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.118 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 645' ' ' THR . . . . . 0.598 HG23 ' O ' ' A' ' 633' ' ' CYS . 11.8 p -71.07 151.58 94.84 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.608 0.718 . . . . 0.0 111.148 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 646' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 115.11 3.93 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.691 2.261 . . . . 0.0 112.369 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 647' ' ' VAL . . . . . 0.583 ' CG2' HG12 ' A' ' 630' ' ' VAL . 7.1 p -68.31 143.37 15.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.123 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 11.3 m -145.63 150.33 15.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.108 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 649' ' ' ARG . . . . . . . . . . . . . 7.1 ptt180 -84.69 126.24 33.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 650' ' ' GLY . . . . . . . . . . . . . . . 144.97 163.77 10.27 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.462 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 651' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -86.75 -49.29 7.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.845 0.355 . . . . 0.0 110.897 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 652' ' ' HIS . . . . . 0.435 ' CD2' ' N ' ' A' ' 652' ' ' HIS . 0.6 OUTLIER -118.64 61.83 4.95 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.591 0.71 . . . . 0.0 110.82 179.902 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 653' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -176.47 1.5 Allowed 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.694 2.263 . . . . 0.0 112.34 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 72.3 mt-10 -134.83 78.48 1.74 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.872 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 655' ' ' TYR . . . . . . . . . . . . . 18.1 m-85 -45.71 -57.04 4.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.981 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 56.55 47.42 18.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.925 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 657' ' ' PHE . . . . . . . . . . . . . 20.9 t80 -94.86 124.89 39.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.836 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 3.5 m -113.94 148.32 37.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.14 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 7.2 p -152.57 166.18 32.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.832 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 660' ' ' GLN . . . . . 0.529 ' O ' ' CD1' ' A' ' 661' ' ' TYR . 38.2 mt-30 -149.98 146.56 27.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.846 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 661' ' ' TYR . . . . . 0.529 ' CD1' ' O ' ' A' ' 660' ' ' GLN . 21.6 m-85 -149.16 120.79 8.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 662' ' ' LEU . . . . . 0.459 HD13 ' C ' ' A' ' 662' ' ' LEU . 0.7 OUTLIER -80.85 102.65 10.17 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.942 179.928 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 663' ' ' VAL . . . . . . . . . . . . . 17.6 m -124.54 135.06 65.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.182 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 664' ' ' HIS . . . . . . . . . . . . . 51.0 p-80 -108.61 119.39 39.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.852 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 665' ' ' VAL . . . . . 0.592 HG12 ' H ' ' A' ' 666' ' ' ASN . 2.2 t -148.89 170.72 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.125 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 666' ' ' ASN . . . . . 0.592 ' H ' HG12 ' A' ' 665' ' ' VAL . 2.3 m-80 -115.38 -174.5 2.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 667' ' ' ASP . . . . . 0.443 ' C ' ' O ' ' A' ' 666' ' ' ASN . 6.8 m-20 -34.83 -32.01 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 668' ' ' LEU . . . . . 0.501 ' N ' ' O ' ' A' ' 666' ' ' ASN . 4.3 mm? -46.89 -51.32 17.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 669' ' ' PHE . . . . . 0.448 ' C ' ' O ' ' A' ' 668' ' ' LEU . 7.0 t80 -34.44 -32.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 670' ' ' LEU . . . . . 0.5 ' N ' ' O ' ' A' ' 668' ' ' LEU . 69.1 mt -68.91 -61.7 1.69 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.922 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 671' ' ' GLN . . . . . 0.445 ' C ' ' O ' ' A' ' 670' ' ' LEU . 6.7 pt20 -34.81 -44.45 0.22 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 672' ' ' TYR . . . . . 0.433 ' N ' ' CG ' ' A' ' 671' ' ' GLN . 5.0 t80 -57.6 -44.68 85.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.948 -179.853 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 673' ' ' ILE . . . . . 0.721 HD13 HG21 ' A' ' 703' ' ' ILE . 72.5 mt -62.44 -44.28 99.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.129 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 674' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -70.9 -63.77 1.03 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.901 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 675' ' ' LYS . . . . . . . . . . . . . 12.1 mtmm -55.76 -60.87 2.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 676' ' ' ASN . . . . . 0.4 ' O ' ' O ' ' A' ' 672' ' ' TYR . 9.7 m-80 -102.1 167.62 9.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.878 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 38.5 p -140.61 167.26 22.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.089 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 678' ' ' ILE . . . . . . . . . . . . . 16.6 mt -88.2 148.26 4.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.195 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 17.8 m -116.86 123.81 47.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.147 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 680' ' ' LEU . . . . . 0.909 ' O ' HD23 ' A' ' 680' ' ' LEU . 3.8 tt -131.88 98.47 4.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.949 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 681' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -101.03 140.55 35.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 682' ' ' VAL . . . . . . . . . . . . . 60.1 t -110.68 126.92 68.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.156 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 683' ' ' HIS . . . . . 0.641 ' NE2' ' CE1' ' A' ' 632' ' ' PHE . 7.4 p-80 -119.16 153.07 35.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 684' ' ' GLN . . . . . 0.62 ' HA ' HG22 ' A' ' 631' ' ' THR . 44.3 mt-30 -84.64 142.64 29.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.939 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -95.49 112.72 24.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.126 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 686' ' ' TYR . . . . . . . . . . . . . 38.5 m-85 -105.15 167.05 9.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.914 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 687' ' ' SER . . . . . . . . . . . . . 3.6 m -44.06 -65.08 0.55 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.836 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 688' ' ' THR . . . . . . . . . . . . . 11.7 t -132.77 37.83 3.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.154 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 689' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -139.98 166.52 24.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.867 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 690' ' ' TYR . . . . . . . . . . . . . 90.0 m-85 -154.1 117.18 4.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.875 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 691' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -147.34 147.29 30.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.841 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 692' ' ' THR . . . . . 0.548 ' HB ' HG21 ' A' ' 719' ' ' THR . 0.6 OUTLIER -93.2 145.8 24.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.153 -179.954 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 693' ' ' ILE . . . . . 0.435 HD13 ' HZ ' ' A' ' 726' ' ' PHE . 1.4 pp -134.42 1.3 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.155 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 694' ' ' ALA . . . . . 0.908 ' N ' HG23 ' A' ' 719' ' ' THR . . . -148.32 144.69 27.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.109 179.824 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 695' ' ' ALA . . . . . . . . . . . . . . . -157.53 139.93 14.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.082 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 696' ' ' CYS . . . . . . . . . . . . . 21.3 p -154.74 166.65 32.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 697' ' ' GLN . . . . . . . . . . . . . 64.3 mm-40 -117.07 110.11 17.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.923 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 698' ' ' LEU . . . . . . . . . . . . . 13.9 mt -75.56 133.8 40.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.934 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 699' ' ' LYS . . . . . . . . . . . . . 6.6 pttt -153.85 124.02 6.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.848 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 700' ' ' PHE . . . . . 0.63 ' O ' HG22 ' A' ' 703' ' ' ILE . 1.5 m-85 -99.23 125.27 44.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 701' ' ' HIS . . . . . . . . . . . . . 70.3 m-70 -89.3 -45.16 9.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.856 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 702' ' ' GLU . . . . . 0.515 ' CB ' HG21 ' A' ' 710' ' ' ILE . 6.5 mt-10 -56.81 -31.11 64.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 703' ' ' ILE . . . . . 0.721 HG21 HD13 ' A' ' 673' ' ' ILE . 10.9 tt -57.03 -11.65 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.137 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 704' ' ' LEU . . . . . . . . . . . . . 20.9 mt -86.92 -48.24 8.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 705' ' ' GLU . . . . . 0.477 ' CG ' ' HG2' ' A' ' 706' ' ' LYS . 15.3 pt-20 -79.66 -44.95 19.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.908 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 706' ' ' LYS . . . . . 0.477 ' HG2' ' CG ' ' A' ' 705' ' ' GLU . 13.9 ptpt -120.48 175.19 6.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 707' ' ' SER . . . . . 0.459 ' N ' HD11 ' A' ' 710' ' ' ILE . 1.1 t -152.07 137.4 17.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.845 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 708' ' ' GLY . . . . . 0.403 ' O ' ' O ' ' A' ' 733' ' ' PHE . . . 109.82 -112.69 3.42 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.487 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 709' ' ' ARG . . . . . . . . . . . . . 5.8 tmm_? -69.94 84.09 0.49 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.788 0.327 . . . . 0.0 110.894 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 710' ' ' ILE . . . . . 0.515 HG21 ' CB ' ' A' ' 702' ' ' GLU . 12.0 mt -136.97 139.33 44.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.157 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 711' ' ' PHE . . . . . . . . . . . . . 46.7 m-85 -119.48 147.98 43.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 712' ' ' CYS . . . . . . . . . . . . . 5.3 t -163.37 162.82 25.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 713' ' ' THR . . . . . . . . . . . . . 28.6 p -130.14 170.75 13.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.095 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 714' ' ' ALA . . . . . . . . . . . . . . . -146.66 136.77 23.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.105 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 715' ' ' SER . . . . . . . . . . . . . 11.9 t -78.04 140.73 39.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.813 -179.745 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 716' ' ' LEU . . . . . 0.64 ' C ' HD12 ' A' ' 717' ' ' ILE . 7.3 mt -108.81 139.96 42.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.898 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 717' ' ' ILE . . . . . 0.64 HD12 ' C ' ' A' ' 716' ' ' LEU . 4.2 mp -136.02 142.99 37.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.102 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 718' ' ' GLY . . . . . 0.477 ' O ' ' N ' ' A' ' 721' ' ' GLY . . . -40.9 144.84 0.53 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.492 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 719' ' ' THR . . . . . 0.908 HG23 ' N ' ' A' ' 694' ' ' ALA . 0.8 OUTLIER -43.42 -39.07 3.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.81 0.338 . . . . 0.0 111.123 -179.835 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 720' ' ' LYS . . . . . 0.475 ' N ' ' HD3' ' A' ' 720' ' ' LYS . 0.0 OUTLIER -83.55 25.5 0.75 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.883 179.902 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 721' ' ' GLY . . . . . 0.477 ' N ' ' O ' ' A' ' 718' ' ' GLY . . . 33.74 53.39 0.65 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.49 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 722' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -131.01 -30.32 1.79 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.808 0.337 . . . . 0.0 110.854 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 723' ' ' ILE . . . . . 0.491 ' O ' HG23 ' A' ' 717' ' ' ILE . 77.4 mt -97.42 103.31 15.51 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.589 0.709 . . . . 0.0 111.118 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 724' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 723' ' ' ILE . 53.7 Cg_endo -69.74 -52.6 0.32 Allowed 'Trans proline' 0 N--CA 1.466 -0.145 0 C-N-CA 122.709 2.273 . . . . 0.0 112.356 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 725' ' ' ASN . . . . . . . . . . . . . 22.4 m-20 -73.97 81.21 1.69 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 726' ' ' PHE . . . . . 0.705 ' CZ ' ' HB2' ' A' ' 694' ' ' ALA . 2.3 t80 -114.11 -30.64 6.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.887 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 727' ' ' GLY . . . . . . . . . . . . . . . 140.98 168.33 11.38 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.501 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 728' ' ' THR . . . . . . . . . . . . . 24.6 m -116.03 148.84 39.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.843 0.354 . . . . 0.0 111.14 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 729' ' ' VAL . . . . . 0.419 HG13 ' O ' ' A' ' 729' ' ' VAL . 10.3 p -109.95 129.6 64.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.143 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -113.13 110.51 20.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 731' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -137.75 168.39 19.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.959 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 732' ' ' TRP . . . . . 0.47 ' NE1' ' HB3' ' A' ' 610' ' ' HIS . 48.6 p-90 -142.92 125.29 15.6 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.959 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 733' ' ' PHE . . . . . 0.626 ' CD1' ' CD2' ' A' ' 700' ' ' PHE . 49.4 p90 -110.5 165.07 12.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.884 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 734' ' ' ARG . . . . . 0.415 ' C ' ' HD3' ' A' ' 734' ' ' ARG . 0.4 OUTLIER -161.18 124.08 3.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 -179.896 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 735' ' ' LEU . . . . . . . . . . . . . 8.2 tp -131.19 104.7 7.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.939 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 736' ' ' ARG . . . . . 0.444 ' O ' ' C ' ' A' ' 737' ' ' VAL . 3.7 tpt180 -144.15 135.08 25.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.847 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 737' ' ' VAL . . . . . 0.444 ' C ' ' O ' ' A' ' 736' ' ' ARG . 4.0 p -33.75 134.39 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.121 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 738' ' ' SER . . . . . . . . . . . . . 11.7 p . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.865 -179.862 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 604' ' ' GLU . . . . . 0.584 ' CD ' HD11 ' A' ' 662' ' ' LEU . 4.8 tt0 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.843 0.354 . . . . 0.0 110.923 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 605' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -134.48 130.5 36.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 606' ' ' LEU . . . . . 0.55 ' C ' HD23 ' A' ' 606' ' ' LEU . 6.6 tt -129.02 146.04 51.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 607' ' ' PHE . . . . . 0.459 ' N ' HD23 ' A' ' 606' ' ' LEU . 9.3 t80 -120.76 134.96 55.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 608' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -148.04 129.94 15.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.886 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 609' ' ' ILE . . . . . . . . . . . . . 59.5 mt -111.44 140.94 28.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.149 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 610' ' ' HIS . . . . . 0.569 ' CE1' ' HA ' ' A' ' 656' ' ' ASN . 8.5 t-80 -131.23 113.16 13.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.876 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 49.7 mm -79.32 106.52 10.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.158 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 612' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -60.86 -65.46 0.69 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 613' ' ' LYS . . . . . . . . . . . . . 16.0 ptmt -163.96 178.59 7.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.923 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 614' ' ' VAL . . . . . . . . . . . . . 79.1 t -129.24 117.91 44.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.11 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 615' ' ' THR . . . . . . . . . . . . . 66.2 m -93.71 133.5 37.0 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.173 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 616' ' ' PHE . . . . . 0.471 ' CD1' HG11 ' A' ' 620' ' ' VAL . 47.3 m-85 -101.63 166.01 10.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.847 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 617' ' ' SER . . . . . 0.495 ' CB ' ' O ' ' A' ' 725' ' ' ASN . 0.9 OUTLIER -103.71 161.11 14.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.889 -179.82 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 618' ' ' SER . . . . . . . . . . . . . 31.9 p -45.47 -41.43 9.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.813 -179.777 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 619' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -59.39 -43.16 92.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.901 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 620' ' ' VAL . . . . . 0.471 HG11 ' CD1' ' A' ' 616' ' ' PHE . 30.3 t -67.38 -39.34 82.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.146 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 621' ' ' LEU . . . . . . . . . . . . . 39.5 mt -67.06 -47.82 70.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.907 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 622' ' ' GLN . . . . . . . . . . . . . 35.5 mm-40 -70.97 -49.69 42.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.929 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -43.37 -40.94 3.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.096 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 15.5 m -64.63 -46.11 83.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 625' ' ' GLY . . . . . . . . . . . . . . . 91.47 -141.8 15.81 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.503 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 626' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -80.57 41.58 0.56 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.875 0.369 . . . . 0.0 110.835 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 13.3 ptpt -151.01 176.54 11.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.946 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -123.2 123.47 26.63 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.636 0.732 . . . . 0.0 110.882 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 629' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 145.8 58.24 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.725 2.284 . . . . 0.0 112.343 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 630' ' ' VAL . . . . . . . . . . . . . 13.2 t -122.81 112.68 35.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.114 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 631' ' ' THR . . . . . 0.424 ' CG2' HE21 ' A' ' 684' ' ' GLN . 34.4 p -139.07 178.67 7.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.152 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 632' ' ' PHE . . . . . 0.651 ' O ' HG13 ' A' ' 682' ' ' VAL . 35.7 p90 -146.07 174.43 11.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 633' ' ' CYS . . . . . . . . . . . . . 61.6 m -117.16 151.13 37.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 634' ' ' THR . . . . . 0.672 ' HB ' HD11 ' A' ' 642' ' ' LEU . 23.3 p -150.01 124.43 9.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.09 -179.856 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 635' ' ' TYR . . . . . 0.448 ' CD1' HD12 ' A' ' 680' ' ' LEU . 28.8 p90 -152.88 177.74 10.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 636' ' ' ALA . . . . . 0.671 ' HB2' HD22 ' A' ' 642' ' ' LEU . . . -149.4 149.26 30.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.101 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 637' ' ' PHE . . . . . 0.508 ' O ' ' N ' ' A' ' 640' ' ' PHE . 78.1 t80 -115.07 156.04 25.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.91 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 638' ' ' TYR . . . . . 0.477 ' C ' ' O ' ' A' ' 637' ' ' PHE . 12.8 t80 31.6 38.37 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 -179.865 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 639' ' ' ASP . . . . . 0.478 ' N ' ' O ' ' A' ' 637' ' ' PHE . 34.0 t70 58.65 50.27 9.18 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.885 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 640' ' ' PHE . . . . . 0.508 ' N ' ' O ' ' A' ' 637' ' ' PHE . 4.2 m-85 -99.0 173.13 6.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.913 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -56.38 116.63 3.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 642' ' ' LEU . . . . . 0.672 HD11 ' HB ' ' A' ' 634' ' ' THR . 0.4 OUTLIER -50.95 113.11 0.83 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.892 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 643' ' ' GLN . . . . . . . . . . . . . 4.7 tp60 -82.33 147.65 28.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 644' ' ' THR . . . . . . . . . . . . . 28.9 m -116.13 111.37 20.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.12 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 645' ' ' THR . . . . . . . . . . . . . 60.7 p -70.48 153.65 94.92 Favored Pre-proline 0 C--N 1.33 -0.283 0 CA-C-O 121.545 0.688 . . . . 0.0 111.152 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 646' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.7 125.04 11.71 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.648 2.232 . . . . 0.0 112.33 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 647' ' ' VAL . . . . . . . . . . . . . 60.2 t -68.04 122.42 19.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.123 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 39.1 t -121.74 130.88 74.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.07 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 649' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -93.58 135.81 34.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.899 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 650' ' ' GLY . . . . . 0.41 ' O ' ' HG ' ' A' ' 651' ' ' LEU . . . 149.42 -132.57 4.1 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.507 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 651' ' ' LEU . . . . . 0.437 ' HB3' ' CD2' ' A' ' 652' ' ' HIS . 7.3 mt -159.78 104.99 1.58 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.826 0.346 . . . . 0.0 110.949 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 652' ' ' HIS . . . . . 0.522 ' N ' ' CD ' ' A' ' 653' ' ' PRO . 16.6 m-70 74.76 49.78 0.21 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.583 0.706 . . . . 0.0 110.882 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 653' ' ' PRO . . . . . 0.522 ' CD ' ' N ' ' A' ' 652' ' ' HIS . 53.7 Cg_endo -69.75 174.42 9.52 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.702 2.268 . . . . 0.0 112.351 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 654' ' ' GLU . . . . . 0.432 ' HB3' ' ND2' ' A' ' 656' ' ' ASN . 63.9 mt-10 -120.9 80.49 1.64 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.944 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 655' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -51.35 -55.98 15.53 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.915 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 656' ' ' ASN . . . . . 0.569 ' HA ' ' CE1' ' A' ' 610' ' ' HIS . 2.2 m-80 60.02 44.2 13.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.903 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 657' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -88.77 151.98 22.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.891 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 55.8 m -134.55 149.08 50.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.147 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 89.3 p -132.25 153.74 50.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.821 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -132.24 130.47 40.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.895 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 661' ' ' TYR . . . . . . . . . . . . . 75.7 m-85 -153.91 122.02 6.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 662' ' ' LEU . . . . . 0.584 HD11 ' CD ' ' A' ' 604' ' ' GLU . 0.3 OUTLIER -89.65 118.01 28.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.932 179.933 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 663' ' ' VAL . . . . . 0.533 ' O ' HG23 ' A' ' 663' ' ' VAL . 28.8 m -133.28 114.25 20.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.124 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 664' ' ' HIS . . . . . 0.56 ' O ' HG13 ' A' ' 665' ' ' VAL . 22.5 p-80 -93.78 98.17 10.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.879 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 665' ' ' VAL . . . . . 0.704 HG23 ' HD2' ' A' ' 669' ' ' PHE . 4.8 m -159.7 152.08 5.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.128 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 666' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -115.82 -66.59 1.07 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 667' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -74.91 -63.23 1.3 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 668' ' ' LEU . . . . . 0.474 ' H ' HD12 ' A' ' 668' ' ' LEU . 9.1 mp -40.39 -38.37 0.81 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.905 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 669' ' ' PHE . . . . . 0.704 ' HD2' HG23 ' A' ' 665' ' ' VAL . 1.9 t80 -47.84 -55.44 9.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.925 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 670' ' ' LEU . . . . . . . . . . . . . 50.9 mt -71.01 -51.18 26.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.898 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 671' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -42.92 -49.96 5.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.918 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 672' ' ' TYR . . . . . 0.44 ' CD1' ' C ' ' A' ' 672' ' ' TYR . 0.9 OUTLIER -59.46 -41.83 90.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.929 -179.885 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 673' ' ' ILE . . . . . 0.589 HD13 HG21 ' A' ' 703' ' ' ILE . 88.7 mt -61.53 -61.07 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.135 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 674' ' ' GLN . . . . . . . . . . . . . 22.3 pt20 -58.19 -45.8 86.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.932 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 675' ' ' LYS . . . . . . . . . . . . . 81.5 mttt -67.09 -68.92 0.34 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.938 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 676' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -100.23 151.69 21.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 61.3 p -121.24 168.35 11.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.113 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 678' ' ' ILE . . . . . . . . . . . . . 5.3 mp -87.81 116.47 29.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.118 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 679' ' ' THR . . . . . 0.6 HG22 ' OE1' ' A' ' 681' ' ' GLU . 11.5 m -87.61 104.62 16.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.173 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 680' ' ' LEU . . . . . 0.611 ' O ' HD23 ' A' ' 680' ' ' LEU . 7.0 tt -115.84 108.15 15.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.886 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 681' ' ' GLU . . . . . 0.6 ' OE1' HG22 ' A' ' 679' ' ' THR . 3.0 mp0 -112.28 135.84 52.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 682' ' ' VAL . . . . . 0.651 HG13 ' O ' ' A' ' 632' ' ' PHE . 95.8 t -99.12 99.43 8.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.144 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 683' ' ' HIS . . . . . . . . . . . . . 4.3 m170 -90.86 141.58 28.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.799 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 684' ' ' GLN . . . . . 0.527 ' HB3' ' CZ ' ' A' ' 686' ' ' TYR . 22.4 tt0 -91.23 146.78 23.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -98.36 113.6 25.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.088 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 686' ' ' TYR . . . . . 0.527 ' CZ ' ' HB3' ' A' ' 684' ' ' GLN . 1.0 OUTLIER -107.6 168.78 9.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.959 -179.879 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 687' ' ' SER . . . . . . . . . . . . . 29.2 p -40.33 94.52 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.842 -179.79 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 688' ' ' THR . . . . . 0.452 ' N ' ' O ' ' A' ' 686' ' ' TYR . 69.2 p 50.1 44.03 25.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.171 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 689' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -142.79 165.96 25.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.89 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 690' ' ' TYR . . . . . . . . . . . . . 33.6 m-85 -152.42 121.65 6.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.926 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 691' ' ' GLU . . . . . 0.421 ' HG2' ' N ' ' A' ' 692' ' ' THR . 26.4 tt0 -149.16 153.44 37.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.854 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 692' ' ' THR . . . . . 0.421 ' N ' ' HG2' ' A' ' 691' ' ' GLU . 94.4 m -82.78 140.9 32.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.141 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 693' ' ' ILE . . . . . 0.486 HG13 ' N ' ' A' ' 694' ' ' ALA . 26.1 pt -130.92 -31.31 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.139 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 694' ' ' ALA . . . . . 0.486 ' N ' HG13 ' A' ' 693' ' ' ILE . . . -131.29 139.5 49.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.085 179.804 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 695' ' ' ALA . . . . . . . . . . . . . . . -145.81 136.65 24.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.14 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 696' ' ' CYS . . . . . . . . . . . . . 31.0 p -151.58 155.44 38.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 697' ' ' GLN . . . . . . . . . . . . . 7.0 mm100 -103.79 108.65 20.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.906 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 698' ' ' LEU . . . . . 0.666 HD22 ' CE2' ' A' ' 731' ' ' TYR . 87.8 mt -84.5 128.1 34.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 699' ' ' LYS . . . . . 0.543 ' HD2' ' CE1' ' A' ' 701' ' ' HIS . 9.7 ptpt -152.79 136.26 15.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 179.809 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 700' ' ' PHE . . . . . 0.717 ' CD1' ' CD1' ' A' ' 733' ' ' PHE . 10.3 m-85 -99.98 125.78 46.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.882 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 701' ' ' HIS . . . . . 0.543 ' CE1' ' HD2' ' A' ' 699' ' ' LYS . 14.9 m80 -91.9 -51.16 5.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 702' ' ' GLU . . . . . 0.637 ' CB ' HG21 ' A' ' 710' ' ' ILE . 2.5 mp0 -48.14 -44.74 32.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 703' ' ' ILE . . . . . 0.589 HG21 HD13 ' A' ' 673' ' ' ILE . 12.8 tt -46.01 -25.33 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.163 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 704' ' ' LEU . . . . . . . . . . . . . 38.3 mt -66.3 -40.53 90.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.921 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 705' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -98.09 -58.53 1.96 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.911 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 706' ' ' LYS . . . . . . . . . . . . . 28.2 mtpt -82.63 176.34 9.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.915 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 707' ' ' SER . . . . . . . . . . . . . 58.5 m -149.62 106.41 3.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.824 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 708' ' ' GLY . . . . . . . . . . . . . . . 141.12 -150.0 21.47 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.448 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 709' ' ' ARG . . . . . 0.447 ' C ' HG13 ' A' ' 710' ' ' ILE . 24.3 ptt-85 -65.82 120.36 12.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.805 0.336 . . . . 0.0 110.869 -179.837 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 710' ' ' ILE . . . . . 0.637 HG21 ' CB ' ' A' ' 702' ' ' GLU . 26.7 mt -144.51 106.54 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.118 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 711' ' ' PHE . . . . . . . . . . . . . 17.0 m-85 -57.85 140.97 50.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 712' ' ' CYS . . . . . . . . . . . . . 5.4 t -164.04 166.29 21.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.932 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 713' ' ' THR . . . . . . . . . . . . . 21.3 p -147.38 170.83 16.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.128 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 714' ' ' ALA . . . . . . . . . . . . . . . -145.22 148.63 33.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.126 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 715' ' ' SER . . . . . . . . . . . . . 60.4 p -88.62 156.48 19.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.853 -179.761 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 716' ' ' LEU . . . . . . . . . . . . . 8.9 mt -124.99 139.34 53.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 717' ' ' ILE . . . . . . . . . . . . . 4.9 mp -125.82 142.98 40.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.163 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 718' ' ' GLY . . . . . . . . . . . . . . . -74.58 135.46 19.42 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.457 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 719' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -81.27 -45.52 16.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.831 0.348 . . . . 0.0 111.146 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 720' ' ' LYS . . . . . 0.497 ' HD2' ' N ' ' A' ' 720' ' ' LYS . 4.7 mmmm -99.15 -41.66 7.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.902 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 721' ' ' GLY . . . . . . . . . . . . . . . -71.51 -22.87 78.59 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.504 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 722' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 62.8 45.81 5.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.827 0.346 . . . . 0.0 110.914 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 723' ' ' ILE . . . . . . . . . . . . . 64.0 mt -103.54 106.5 52.3 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.638 0.732 . . . . 0.0 111.122 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 724' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -30.35 22.61 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.705 2.27 . . . . 0.0 112.344 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 725' ' ' ASN . . . . . 0.495 ' O ' ' CB ' ' A' ' 617' ' ' SER . 77.5 m-20 -101.03 41.03 1.21 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.831 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 726' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -55.55 -48.99 73.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.875 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 727' ' ' GLY . . . . . . . . . . . . . . . 160.77 -170.65 36.72 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.502 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 728' ' ' THR . . . . . . . . . . . . . 15.9 m -131.09 149.18 52.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.776 0.322 . . . . 0.0 111.187 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 729' ' ' VAL . . . . . . . . . . . . . 7.5 p -104.69 139.15 26.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.141 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -106.58 112.15 25.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.915 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 731' ' ' TYR . . . . . 0.666 ' CE2' HD22 ' A' ' 698' ' ' LEU . 10.5 p90 -143.72 174.52 10.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.902 -179.851 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 732' ' ' TRP . . . . . 0.522 ' CE2' ' HB3' ' A' ' 610' ' ' HIS . 61.4 p-90 -157.21 136.0 11.59 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.938 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 733' ' ' PHE . . . . . 0.717 ' CD1' ' CD1' ' A' ' 700' ' ' PHE . 14.3 p90 -112.41 135.02 53.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.887 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 734' ' ' ARG . . . . . . . . . . . . . 16.9 ttm180 -129.63 112.37 13.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.892 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 735' ' ' LEU . . . . . . . . . . . . . 18.5 tp -111.55 105.04 13.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.91 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 736' ' ' ARG . . . . . 0.536 ' HD3' HG12 ' A' ' 737' ' ' VAL . 1.8 tmt_? -147.13 145.69 29.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 737' ' ' VAL . . . . . 0.536 HG12 ' HD3' ' A' ' 736' ' ' ARG . 14.5 p -35.04 144.67 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.112 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 738' ' ' SER . . . . . . . . . . . . . 33.3 t . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 -179.912 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 604' ' ' GLU . . . . . 0.473 ' O ' HG23 ' A' ' 737' ' ' VAL . 0.9 OUTLIER . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.854 0.359 . . . . 0.0 110.895 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 605' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -140.13 160.72 39.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 606' ' ' LEU . . . . . . . . . . . . . 9.9 tp -140.26 112.82 7.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.938 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 607' ' ' PHE . . . . . 0.578 ' CD2' ' CZ ' ' A' ' 669' ' ' PHE . 4.2 t80 -117.36 127.74 54.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 608' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -149.2 158.19 43.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 609' ' ' ILE . . . . . . . . . . . . . 42.3 mt -132.39 138.27 52.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.128 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 610' ' ' HIS . . . . . 0.439 ' CD2' ' HE1' ' A' ' 732' ' ' TRP . 4.5 t60 -125.96 128.88 48.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.831 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 41.8 mm -103.55 99.19 7.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.163 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 612' ' ' ASN . . . . . 0.438 ' ND2' ' NE2' ' A' ' 610' ' ' HIS . 1.1 m120 -60.78 -67.88 0.36 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.879 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 613' ' ' LYS . . . . . . . . . . . . . 21.7 pttm -158.31 170.45 22.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 614' ' ' VAL . . . . . 0.486 ' O ' HG13 ' A' ' 614' ' ' VAL . 9.8 p -122.58 125.32 72.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.148 179.857 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 615' ' ' THR . . . . . . . . . . . . . 5.4 m -94.93 143.66 26.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.197 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 616' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -116.02 166.91 11.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.85 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -106.97 156.02 19.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.824 -179.786 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 618' ' ' SER . . . . . 0.415 ' HA ' HD12 ' A' ' 621' ' ' LEU . 14.5 m -41.18 -59.93 1.38 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.837 -179.849 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 619' ' ' GLU . . . . . 0.619 ' OE1' HG23 ' A' ' 723' ' ' ILE . 39.4 tt0 -38.58 -46.67 1.22 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.855 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 620' ' ' VAL . . . . . . . . . . . . . 9.3 t -74.21 -47.02 42.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.085 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 621' ' ' LEU . . . . . 0.415 HD12 ' HA ' ' A' ' 618' ' ' SER . 84.8 mt -48.72 -43.93 37.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 622' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -71.8 -45.44 61.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.925 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -43.99 -51.39 7.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.065 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 57.9 m -79.74 -53.88 6.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.829 -179.745 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 625' ' ' GLY . . . . . . . . . . . . . . . 118.9 -164.38 13.08 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.509 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 626' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -85.66 46.04 1.27 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.913 0.387 . . . . 0.0 110.891 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 13.2 mmmt -121.88 -175.51 3.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.926 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 628' ' ' GLU . . . . . 0.467 ' HB3' ' N ' ' A' ' 650' ' ' GLY . 49.9 mt-10 -102.78 96.36 7.58 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.653 0.74 . . . . 0.0 110.879 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 629' ' ' PRO . . . . . 0.451 ' HG3' HD23 ' A' ' 651' ' ' LEU . 54.0 Cg_endo -69.71 108.96 2.18 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.714 2.276 . . . . 0.0 112.328 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 630' ' ' VAL . . . . . 0.855 HG22 ' HB3' ' A' ' 649' ' ' ARG . 1.7 t -82.07 123.87 38.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.111 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 631' ' ' THR . . . . . . . . . . . . . 48.5 p -125.78 178.06 5.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.152 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 632' ' ' PHE . . . . . 0.615 ' CD2' HG22 ' A' ' 647' ' ' VAL . 0.7 OUTLIER -145.74 147.5 31.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 633' ' ' CYS . . . . . 0.539 ' O ' HG23 ' A' ' 645' ' ' THR . 63.8 m -129.46 144.28 51.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.854 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 634' ' ' THR . . . . . 0.829 ' HB ' HD11 ' A' ' 642' ' ' LEU . 18.4 p -154.94 146.9 23.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.129 -179.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 635' ' ' TYR . . . . . 0.408 ' CD2' HD12 ' A' ' 680' ' ' LEU . 32.1 p90 -175.03 150.2 1.18 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 -179.854 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 636' ' ' ALA . . . . . . . . . . . . . . . -109.4 138.26 46.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.109 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 637' ' ' PHE . . . . . 0.501 ' CE1' ' HB2' ' A' ' 638' ' ' TYR . 3.2 t80 -111.79 146.92 36.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.919 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 638' ' ' TYR . . . . . 0.501 ' HB2' ' CE1' ' A' ' 637' ' ' PHE . 9.1 t80 40.03 31.41 0.09 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 -179.838 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 639' ' ' ASP . . . . . . . . . . . . . 4.6 t0 62.73 44.8 6.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.847 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 640' ' ' PHE . . . . . 0.444 ' CD2' ' HB3' ' A' ' 638' ' ' TYR . 17.7 m-85 -103.87 179.18 4.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -53.98 131.82 41.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.909 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 642' ' ' LEU . . . . . 0.829 HD11 ' HB ' ' A' ' 634' ' ' THR . 0.8 OUTLIER -47.58 126.13 9.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 643' ' ' GLN . . . . . 0.511 ' N ' HD13 ' A' ' 642' ' ' LEU . 3.1 tp60 -82.57 152.15 26.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.939 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 644' ' ' THR . . . . . . . . . . . . . 1.9 m -134.54 148.62 50.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.135 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 645' ' ' THR . . . . . 0.539 HG23 ' O ' ' A' ' 633' ' ' CYS . 0.4 OUTLIER -120.72 154.06 57.1 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.606 0.717 . . . . 0.0 111.117 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 646' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 129.14 17.13 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.672 2.248 . . . . 0.0 112.345 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 647' ' ' VAL . . . . . 0.615 HG22 ' CD2' ' A' ' 632' ' ' PHE . 97.2 t -68.42 116.45 8.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.119 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 648' ' ' VAL . . . . . 0.459 ' CG2' ' CE2' ' A' ' 655' ' ' TYR . 2.7 m -128.39 121.81 56.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.142 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 649' ' ' ARG . . . . . 0.855 ' HB3' HG22 ' A' ' 630' ' ' VAL . 9.5 ptp85 -84.61 134.96 34.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.847 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 650' ' ' GLY . . . . . 0.467 ' N ' ' HB3' ' A' ' 628' ' ' GLU . . . 150.76 165.22 12.56 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.518 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 651' ' ' LEU . . . . . 0.451 HD23 ' HG3' ' A' ' 629' ' ' PRO . 74.1 mt -77.44 -58.47 3.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.867 0.365 . . . . 0.0 110.949 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 652' ' ' HIS . . . . . . . . . . . . . 7.8 m170 -119.29 58.92 4.59 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-O 121.627 0.727 . . . . 0.0 110.885 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 653' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.75 165.31 31.4 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.687 2.258 . . . . 0.0 112.361 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -117.42 85.26 2.3 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 655' ' ' TYR . . . . . 0.459 ' CE2' ' CG2' ' A' ' 648' ' ' VAL . 77.9 m-85 -50.69 -49.87 56.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 -179.83 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 63.4 m-20 57.92 44.54 19.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.882 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 657' ' ' PHE . . . . . . . . . . . . . 83.6 t80 -92.21 107.51 19.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 17.8 m -118.4 127.73 53.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.157 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 47.7 m -151.67 115.36 4.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.858 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 660' ' ' GLN . . . . . 0.439 ' C ' ' OE1' ' A' ' 660' ' ' GLN . 0.1 OUTLIER -116.13 158.66 22.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.881 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 661' ' ' TYR . . . . . 0.433 ' CD1' ' C ' ' A' ' 660' ' ' GLN . 47.0 m-85 -152.06 139.79 19.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 -179.848 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 662' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.39 110.12 6.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.926 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 663' ' ' VAL . . . . . 0.601 ' O ' HG23 ' A' ' 663' ' ' VAL . 26.0 m -117.54 115.14 47.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.106 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 664' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -83.28 104.63 13.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.823 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 665' ' ' VAL . . . . . 0.56 HG22 ' N ' ' A' ' 666' ' ' ASN . 12.7 p -146.46 164.51 8.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.094 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 666' ' ' ASN . . . . . 0.56 ' N ' HG22 ' A' ' 665' ' ' VAL . 3.7 t-20 -116.13 -176.02 2.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 667' ' ' ASP . . . . . 0.451 ' C ' ' O ' ' A' ' 666' ' ' ASN . 8.5 m-20 -34.03 -36.48 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.841 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 668' ' ' LEU . . . . . 0.551 ' H ' HD12 ' A' ' 668' ' ' LEU . 6.0 mp -38.05 -48.03 1.17 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.936 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 669' ' ' PHE . . . . . 0.578 ' CZ ' ' CD2' ' A' ' 607' ' ' PHE . 12.1 t80 -41.74 -51.79 4.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.892 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 670' ' ' LEU . . . . . 0.583 HD22 ' HA ' ' A' ' 704' ' ' LEU . 86.9 mt -45.3 -55.09 6.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.942 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 671' ' ' GLN . . . . . 0.416 ' O ' ' C ' ' A' ' 672' ' ' TYR . 0.3 OUTLIER -45.29 -59.13 2.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 672' ' ' TYR . . . . . 0.51 ' CD1' ' C ' ' A' ' 672' ' ' TYR . 0.5 OUTLIER -37.34 -41.43 0.42 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 -179.841 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 673' ' ' ILE . . . . . 0.663 ' CD1' HD12 ' A' ' 703' ' ' ILE . 17.7 mt -64.96 -48.41 84.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.136 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 674' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -59.77 -49.24 78.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.926 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 675' ' ' LYS . . . . . . . . . . . . . 73.1 mttt -76.82 -65.49 0.94 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 676' ' ' ASN . . . . . 0.424 ' N ' ' O ' ' A' ' 672' ' ' TYR . 6.3 m-20 -93.37 159.65 15.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.905 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 7.2 p -139.32 165.86 26.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.147 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 678' ' ' ILE . . . . . 0.459 ' N ' HD12 ' A' ' 678' ' ' ILE . 4.8 mp -88.27 118.3 33.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.134 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 96.6 m -99.9 101.43 12.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.192 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 680' ' ' LEU . . . . . 0.497 ' O ' HD23 ' A' ' 680' ' ' LEU . 8.3 tt -102.43 109.86 21.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.945 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 681' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -93.81 133.14 37.52 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 682' ' ' VAL . . . . . . . . . . . . . 78.5 t -101.49 103.0 14.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.136 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 683' ' ' HIS . . . . . 0.597 ' CD2' ' HB3' ' A' ' 632' ' ' PHE . 2.2 p-80 -103.57 157.05 17.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.828 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 684' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -90.17 122.4 33.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.911 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -86.48 109.14 18.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.092 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 686' ' ' TYR . . . . . 0.446 ' O ' ' C ' ' A' ' 687' ' ' SER . 33.9 m-85 -96.48 168.92 10.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.927 -179.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 687' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 686' ' ' TYR . 8.9 m -34.89 -62.65 0.36 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.854 -179.862 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 688' ' ' THR . . . . . . . . . . . . . 26.2 p -134.6 29.52 3.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.12 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 689' ' ' GLU . . . . . 0.596 ' C ' ' CD1' ' A' ' 690' ' ' TYR . 2.2 tp10 -142.08 154.15 44.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 690' ' ' TYR . . . . . 0.596 ' CD1' ' C ' ' A' ' 689' ' ' GLU . 1.0 OUTLIER -143.53 117.8 9.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.913 -179.877 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 691' ' ' GLU . . . . . 0.46 ' HG3' ' N ' ' A' ' 692' ' ' THR . 5.2 tp10 -131.72 153.58 49.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.926 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 692' ' ' THR . . . . . 0.46 ' N ' ' HG3' ' A' ' 691' ' ' GLU . 10.8 m -90.25 122.21 32.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.153 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 693' ' ' ILE . . . . . . . . . . . . . 6.3 pt -108.26 -26.83 3.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.147 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 694' ' ' ALA . . . . . 0.581 ' HA ' HG23 ' A' ' 719' ' ' THR . . . -139.25 159.82 41.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.142 179.813 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 695' ' ' ALA . . . . . . . . . . . . . . . -156.37 139.56 15.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.093 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 696' ' ' CYS . . . . . . . . . . . . . 21.5 p -144.33 168.22 20.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 697' ' ' GLN . . . . . . . . . . . . . 32.5 mm-40 -120.1 110.65 16.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.884 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 698' ' ' LEU . . . . . . . . . . . . . 50.4 mt -79.93 129.43 34.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.911 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 699' ' ' LYS . . . . . . . . . . . . . 7.2 ptpp? -148.8 135.62 19.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.917 179.816 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 700' ' ' PHE . . . . . 0.8 ' CD1' ' CE1' ' A' ' 733' ' ' PHE . 8.5 m-85 -113.06 126.36 55.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 701' ' ' HIS . . . . . . . . . . . . . 30.4 m-70 -91.32 -56.65 3.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.881 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 702' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -55.85 -35.73 66.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.912 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 703' ' ' ILE . . . . . 0.678 ' O ' HD13 ' A' ' 703' ' ' ILE . 0.0 OUTLIER -46.65 -20.65 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.14 179.913 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 704' ' ' LEU . . . . . 0.655 HD22 HG23 ' A' ' 703' ' ' ILE . 4.2 mm? -79.64 -50.55 10.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 705' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -72.76 -44.59 61.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.897 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 706' ' ' LYS . . . . . . . . . . . . . 53.2 mtmt -94.61 -179.61 4.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.912 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 707' ' ' SER . . . . . . . . . . . . . 77.4 p -152.89 105.24 2.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.872 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 708' ' ' GLY . . . . . . . . . . . . . . . 138.71 -148.3 19.85 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.525 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 709' ' ' ARG . . . . . 0.403 ' HD2' ' C ' ' A' ' 709' ' ' ARG . 7.4 tmm_? -70.19 118.34 12.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.803 0.335 . . . . 0.0 110.863 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 710' ' ' ILE . . . . . . . . . . . . . 19.3 mt -139.03 109.86 4.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.123 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 711' ' ' PHE . . . . . . . . . . . . . 30.6 m-85 -52.39 138.99 25.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 712' ' ' CYS . . . . . . . . . . . . . 20.9 m -161.2 160.99 30.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 713' ' ' THR . . . . . . . . . . . . . 19.0 p -143.21 166.45 24.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.172 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 714' ' ' ALA . . . . . . . . . . . . . . . -146.53 149.43 33.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.099 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 715' ' ' SER . . . . . . . . . . . . . 2.9 t -95.26 153.59 17.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 -179.785 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 716' ' ' LEU . . . . . . . . . . . . . 18.6 mt -115.43 139.4 50.06 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 717' ' ' ILE . . . . . . . . . . . . . 4.6 mp -120.35 149.04 23.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.16 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 718' ' ' GLY . . . . . . . . . . . . . . . -78.8 139.64 22.37 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.439 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 719' ' ' THR . . . . . 0.581 HG23 ' HA ' ' A' ' 694' ' ' ALA . 50.9 p -87.49 -53.46 4.8 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.891 0.377 . . . . 0.0 111.141 -179.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 720' ' ' LYS . . . . . . . . . . . . . 9.1 mmpt? -64.13 -41.62 97.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 721' ' ' GLY . . . . . . . . . . . . . . . -109.84 -149.7 12.8 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.479 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 722' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -134.76 64.8 1.58 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.828 0.346 . . . . 0.0 110.888 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 723' ' ' ILE . . . . . 0.619 HG23 ' OE1' ' A' ' 619' ' ' GLU . 54.7 mt -106.72 106.36 57.67 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.611 0.72 . . . . 0.0 111.157 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 724' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -51.15 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.701 2.267 . . . . 0.0 112.355 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 725' ' ' ASN . . . . . . . . . . . . . 41.5 m-20 -88.79 43.18 1.12 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 726' ' ' PHE . . . . . . . . . . . . . 16.1 t80 -56.36 -35.89 68.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 727' ' ' GLY . . . . . . . . . . . . . . . 165.76 162.5 17.2 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.496 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 728' ' ' THR . . . . . . . . . . . . . 4.4 m -111.57 152.57 27.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.845 0.355 . . . . 0.0 111.11 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 729' ' ' VAL . . . . . 0.432 HG13 ' O ' ' A' ' 729' ' ' VAL . 14.0 p -116.76 127.69 74.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.073 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -100.77 122.47 43.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.927 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 731' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -162.01 176.07 11.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 -179.869 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 732' ' ' TRP . . . . . 0.439 ' HE1' ' CD2' ' A' ' 610' ' ' HIS . 64.6 p-90 -156.03 144.4 20.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.96 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 733' ' ' PHE . . . . . 0.8 ' CE1' ' CD1' ' A' ' 700' ' ' PHE . 13.3 p90 -114.03 172.68 6.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.905 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 734' ' ' ARG . . . . . . . . . . . . . 33.4 ttm-85 -164.09 120.61 1.64 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.845 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 735' ' ' LEU . . . . . 0.464 ' HB2' ' CD2' ' A' ' 607' ' ' PHE . 19.3 tp -131.47 104.77 7.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 736' ' ' ARG . . . . . . . . . . . . . 4.7 mmt85 -152.57 165.31 35.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 737' ' ' VAL . . . . . 0.473 HG23 ' O ' ' A' ' 604' ' ' GLU . 9.5 p -67.29 128.74 31.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.145 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 738' ' ' SER . . . . . . . . . . . . . 18.7 t . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 -179.881 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 604' ' ' GLU . . . . . 0.614 ' OE1' HD21 ' A' ' 662' ' ' LEU . 25.3 mt-10 . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.867 0.365 . . . . 0.0 110.867 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 605' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -124.95 156.82 37.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.873 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 606' ' ' LEU . . . . . 0.505 HD23 HH21 ' A' ' 734' ' ' ARG . 14.6 tp -142.77 111.69 6.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.891 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 607' ' ' PHE . . . . . 0.454 ' CD2' ' CZ ' ' A' ' 637' ' ' PHE . 9.2 t80 -104.87 115.76 30.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.936 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 608' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -124.9 138.32 54.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 609' ' ' ILE . . . . . . . . . . . . . 35.6 mt -123.14 128.59 75.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.104 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 610' ' ' HIS . . . . . 0.508 ' CD2' ' C ' ' A' ' 610' ' ' HIS . 0.9 OUTLIER -122.57 133.37 54.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.823 179.904 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 25.8 mm -102.16 122.44 54.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.089 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 612' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -69.4 -67.82 0.45 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 613' ' ' LYS . . . . . . . . . . . . . 36.5 pttt -170.3 178.89 3.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 614' ' ' VAL . . . . . . . . . . . . . 92.1 t -129.97 115.5 33.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.13 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 615' ' ' THR . . . . . 0.427 HG22 ' N ' ' A' ' 616' ' ' PHE . 62.5 m -87.34 154.41 20.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.095 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 616' ' ' PHE . . . . . 0.586 ' CD1' HG11 ' A' ' 620' ' ' VAL . 18.9 m-85 -125.71 146.21 49.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.884 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 1.1 t -106.51 163.58 12.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 618' ' ' SER . . . . . . . . . . . . . 31.5 m -42.9 -51.39 5.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.853 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 619' ' ' GLU . . . . . . . . . . . . . 10.5 mp0 -50.7 -35.06 29.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 620' ' ' VAL . . . . . 0.586 HG11 ' CD1' ' A' ' 616' ' ' PHE . 5.4 t -78.73 -41.96 24.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.14 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 621' ' ' LEU . . . . . . . . . . . . . 68.1 mt -59.1 -39.66 82.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.923 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 622' ' ' GLN . . . . . . . . . . . . . 29.7 mm-40 -53.29 -33.79 54.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.921 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -57.11 -19.48 19.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.131 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 1.3 t -134.82 -164.63 1.55 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.84 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 625' ' ' GLY . . . . . . . . . . . . . . . -139.8 -116.4 1.34 Allowed Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.469 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 626' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -90.06 29.52 1.21 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.861 0.362 . . . . 0.0 110.862 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 9.7 ptmm? -131.75 106.34 8.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 628' ' ' GLU . . . . . 0.407 ' HB2' ' N ' ' A' ' 650' ' ' GLY . 0.8 OUTLIER -54.37 126.58 55.06 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.652 0.739 . . . . 0.0 110.913 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 629' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 120.38 7.18 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.663 2.242 . . . . 0.0 112.355 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 630' ' ' VAL . . . . . 0.564 HG22 ' HB3' ' A' ' 649' ' ' ARG . 5.6 t -92.38 108.86 20.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.142 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 631' ' ' THR . . . . . 0.752 HG22 ' HA ' ' A' ' 684' ' ' GLN . 2.3 p -129.46 179.59 5.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.118 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 632' ' ' PHE . . . . . 0.514 ' HE1' ' HB2' ' A' ' 685' ' ' ALA . 27.2 p90 -158.58 145.82 17.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 633' ' ' CYS . . . . . . . . . . . . . 82.2 m -89.35 127.31 35.79 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 634' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -130.07 123.1 29.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.186 -179.857 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 635' ' ' TYR . . . . . 0.483 ' CD2' HD12 ' A' ' 680' ' ' LEU . 20.4 p90 -163.89 177.02 8.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.907 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 636' ' ' ALA . . . . . 0.414 ' HB2' HD12 ' A' ' 642' ' ' LEU . . . -132.16 157.44 44.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.103 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 637' ' ' PHE . . . . . 0.454 ' CZ ' ' CD2' ' A' ' 607' ' ' PHE . 46.0 t80 -122.96 142.42 50.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.867 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 638' ' ' TYR . . . . . 0.413 ' HB3' ' CD2' ' A' ' 640' ' ' PHE . 2.8 t80 47.48 27.24 0.92 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.939 -179.855 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 639' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 64.06 40.33 7.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.85 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 640' ' ' PHE . . . . . 0.413 ' CD2' ' HB3' ' A' ' 638' ' ' TYR . 11.0 m-85 -106.21 176.88 5.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.852 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -46.33 132.04 10.35 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.915 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 642' ' ' LEU . . . . . 0.414 HD12 ' HB2' ' A' ' 636' ' ' ALA . 2.8 tp -61.05 139.57 58.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 643' ' ' GLN . . . . . 0.457 ' HA ' ' NE2' ' A' ' 643' ' ' GLN . 7.2 mm-40 -103.67 120.75 41.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.932 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 644' ' ' THR . . . . . . . . . . . . . 23.9 m -96.54 115.99 28.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.145 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 645' ' ' THR . . . . . . . . . . . . . 1.3 p -76.66 158.07 81.35 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.58 0.705 . . . . 0.0 111.15 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 646' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 130.65 19.72 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.707 2.272 . . . . 0.0 112.323 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 647' ' ' VAL . . . . . . . . . . . . . 59.0 t -68.69 124.78 25.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.14 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 28.5 t -135.19 127.22 47.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.131 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 649' ' ' ARG . . . . . 0.564 ' HB3' HG22 ' A' ' 630' ' ' VAL . 0.2 OUTLIER -88.08 145.16 26.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.912 -179.953 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 650' ' ' GLY . . . . . 0.407 ' N ' ' HB2' ' A' ' 628' ' ' GLU . . . 146.14 -175.03 25.84 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.507 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 651' ' ' LEU . . . . . 0.4 HD22 ' C ' ' A' ' 650' ' ' GLY . 4.5 mm? -113.91 -37.24 4.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.827 0.346 . . . . 0.0 110.906 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 652' ' ' HIS . . . . . 0.481 ' N ' ' CD ' ' A' ' 653' ' ' PRO . 4.7 m-70 -134.06 51.38 6.36 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.563 0.697 . . . . 0.0 110.857 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 653' ' ' PRO . . . . . 0.481 ' CD ' ' N ' ' A' ' 652' ' ' HIS . 54.2 Cg_endo -69.74 -178.57 2.4 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.692 2.261 . . . . 0.0 112.35 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -133.79 91.07 2.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 655' ' ' TYR . . . . . . . . . . . . . 62.6 m-85 -45.2 -62.39 1.27 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.92 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 2.9 m120 61.61 30.15 18.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.877 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 657' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -93.49 126.54 38.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 18.6 m -121.5 144.29 48.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.101 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 83.0 p -149.23 137.49 20.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 660' ' ' GLN . . . . . 0.496 ' O ' ' CD1' ' A' ' 661' ' ' TYR . 0.0 OUTLIER -131.95 156.03 46.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.899 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 661' ' ' TYR . . . . . 0.496 ' CD1' ' O ' ' A' ' 660' ' ' GLN . 68.8 m-85 -155.18 134.78 12.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.968 -179.861 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 662' ' ' LEU . . . . . 0.614 HD21 ' OE1' ' A' ' 604' ' ' GLU . 0.3 OUTLIER -73.96 106.79 5.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 663' ' ' VAL . . . . . 0.505 ' O ' HG23 ' A' ' 663' ' ' VAL . 29.8 m -123.41 121.69 63.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.116 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 664' ' ' HIS . . . . . 0.447 ' H ' ' CD2' ' A' ' 664' ' ' HIS . 8.2 p80 -91.12 98.77 11.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.861 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 665' ' ' VAL . . . . . 0.645 HG22 ' HB2' ' A' ' 669' ' ' PHE . 2.7 p -173.57 123.63 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.103 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 666' ' ' ASN . . . . . . . . . . . . . 33.0 m-80 -116.67 -59.77 1.93 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.895 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 667' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -68.25 -60.6 2.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.88 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -54.57 -18.42 4.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.9 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 669' ' ' PHE . . . . . 0.645 ' HB2' HG22 ' A' ' 665' ' ' VAL . 1.5 t80 -71.98 -62.93 1.25 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.942 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 670' ' ' LEU . . . . . . . . . . . . . 18.8 mt -57.71 -41.96 82.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.922 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 671' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -52.5 -40.45 62.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 672' ' ' TYR . . . . . 0.565 ' CD1' ' C ' ' A' ' 672' ' ' TYR . 0.3 OUTLIER -71.58 -29.53 64.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.922 -179.886 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 673' ' ' ILE . . . . . 0.477 HG21 ' CG2' ' A' ' 703' ' ' ILE . 20.1 mm -66.1 -20.95 28.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.158 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 674' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -106.82 -35.11 7.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 675' ' ' LYS . . . . . . . . . . . . . 19.0 mtpp -66.19 -48.19 71.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.924 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 676' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -143.82 136.95 27.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.93 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 68.7 p -91.42 169.69 10.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.183 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 678' ' ' ILE . . . . . 0.503 HG22 ' N ' ' A' ' 679' ' ' THR . 17.5 mt -89.76 157.1 3.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.128 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 679' ' ' THR . . . . . 0.503 ' N ' HG22 ' A' ' 678' ' ' ILE . 71.9 m -131.29 116.69 17.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.158 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 680' ' ' LEU . . . . . 0.626 ' O ' HD23 ' A' ' 680' ' ' LEU . 7.1 tt -125.74 106.5 9.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.907 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 681' ' ' GLU . . . . . 0.461 ' HG2' ' CB ' ' A' ' 695' ' ' ALA . 13.0 mt-10 -105.71 138.79 41.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.863 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 682' ' ' VAL . . . . . . . . . . . . . 58.2 t -93.3 105.56 16.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.154 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 683' ' ' HIS . . . . . 0.478 ' N ' ' CD2' ' A' ' 683' ' ' HIS . 2.6 m170 -85.71 121.47 28.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.83 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 684' ' ' GLN . . . . . 0.752 ' HA ' HG22 ' A' ' 631' ' ' THR . 17.8 tt0 -88.01 115.1 25.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.865 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 685' ' ' ALA . . . . . 0.514 ' HB2' ' HE1' ' A' ' 632' ' ' PHE . . . -88.7 103.1 15.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.099 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 686' ' ' TYR . . . . . 0.593 ' CD2' ' O ' ' A' ' 689' ' ' GLU . 3.0 m-85 -70.24 168.88 14.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.917 -179.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 687' ' ' SER . . . . . . . . . . . . . 28.6 t -66.36 -4.01 7.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.865 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 688' ' ' THR . . . . . . . . . . . . . 11.6 p -129.52 -56.19 1.15 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.171 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 689' ' ' GLU . . . . . 0.593 ' O ' ' CD2' ' A' ' 686' ' ' TYR . 2.5 tp10 -127.89 158.72 37.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.831 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 690' ' ' TYR . . . . . 0.479 ' CD1' ' HB1' ' A' ' 685' ' ' ALA . 0.6 OUTLIER -118.15 117.01 27.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.925 -179.866 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 691' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -132.9 155.38 49.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 692' ' ' THR . . . . . . . . . . . . . 4.5 m -72.65 141.01 48.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.129 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 693' ' ' ILE . . . . . 0.424 HD13 ' NE2' ' A' ' 684' ' ' GLN . 32.3 pt -123.81 -30.62 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.105 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -131.44 162.96 28.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.096 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 695' ' ' ALA . . . . . 0.461 ' CB ' ' HG2' ' A' ' 681' ' ' GLU . . . -161.48 123.54 2.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.083 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 696' ' ' CYS . . . . . . . . . . . . . 24.5 p -130.48 171.12 13.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.845 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 697' ' ' GLN . . . . . . . . . . . . . 29.2 mm-40 -125.06 120.28 31.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.922 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 698' ' ' LEU . . . . . . . . . . . . . 4.5 mt -91.74 130.01 37.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.944 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 699' ' ' LYS . . . . . . . . . . . . . 12.5 pttt -155.48 123.45 5.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.925 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 700' ' ' PHE . . . . . 0.771 ' CD2' ' CD1' ' A' ' 733' ' ' PHE . 0.3 OUTLIER -104.29 125.47 50.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.859 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 701' ' ' HIS . . . . . . . . . . . . . 54.0 m80 -90.26 -44.72 9.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.835 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 702' ' ' GLU . . . . . 0.702 ' CB ' HG21 ' A' ' 710' ' ' ILE . 4.9 mp0 -49.39 -43.92 44.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.862 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 703' ' ' ILE . . . . . 0.499 HG22 ' O ' ' A' ' 700' ' ' PHE . 8.1 tt -47.42 -22.21 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.122 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 704' ' ' LEU . . . . . . . . . . . . . 32.0 mt -70.6 -37.09 73.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.895 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 705' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -107.61 -52.7 2.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.843 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 706' ' ' LYS . . . . . . . . . . . . . 34.0 mttt -88.49 178.04 6.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.881 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 707' ' ' SER . . . . . . . . . . . . . 58.4 m -156.87 116.85 3.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 708' ' ' GLY . . . . . . . . . . . . . . . 138.12 -161.59 25.58 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.529 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 709' ' ' ARG . . . . . . . . . . . . . 10.1 ptt180 -62.07 84.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.807 0.336 . . . . 0.0 110.842 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 710' ' ' ILE . . . . . 0.702 HG21 ' CB ' ' A' ' 702' ' ' GLU . 13.4 mt -103.54 90.41 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.129 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 711' ' ' PHE . . . . . 0.431 ' C ' ' O ' ' A' ' 710' ' ' ILE . 97.1 m-85 -35.7 138.9 0.15 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 712' ' ' CYS . . . . . . . . . . . . . 3.1 t -164.14 157.56 18.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.897 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 713' ' ' THR . . . . . . . . . . . . . 6.8 p -145.63 170.02 17.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.151 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 714' ' ' ALA . . . . . . . . . . . . . . . -146.19 147.38 31.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.073 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 715' ' ' SER . . . . . . . . . . . . . 51.1 m -85.55 158.1 20.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.845 -179.764 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 716' ' ' LEU . . . . . . . . . . . . . 13.8 mt -119.8 134.91 55.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.936 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 717' ' ' ILE . . . . . . . . . . . . . 4.7 mp -126.69 137.63 57.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.11 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 718' ' ' GLY . . . . . . . . . . . . . . . -66.6 156.17 51.29 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.452 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 719' ' ' THR . . . . . . . . . . . . . 18.3 p -89.53 -54.16 4.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.86 0.362 . . . . 0.0 111.152 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 720' ' ' LYS . . . . . . . . . . . . . 4.7 mtmp? -83.74 -70.08 0.59 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.866 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 721' ' ' GLY . . . . . . . . . . . . . . . -51.32 -25.45 12.14 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.54 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 722' ' ' ASP . . . . . . . . . . . . . 7.9 t0 64.67 38.98 6.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.828 0.347 . . . . 0.0 110.884 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 723' ' ' ILE . . . . . . . . . . . . . 15.9 mt -80.87 117.85 69.81 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.612 0.72 . . . . 0.0 111.154 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 724' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -41.79 3.96 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.691 2.261 . . . . 0.0 112.3 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 725' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -85.98 37.88 0.73 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.876 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 726' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -55.56 -35.65 65.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.888 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 727' ' ' GLY . . . . . . . . . . . . . . . 148.5 -175.14 27.92 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.487 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 728' ' ' THR . . . . . . . . . . . . . 5.8 m -132.04 149.45 52.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.773 0.321 . . . . 0.0 111.158 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 729' ' ' VAL . . . . . 0.415 HG22 ' N ' ' A' ' 730' ' ' GLU . 10.4 p -105.23 156.2 6.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.107 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 730' ' ' GLU . . . . . 0.415 ' N ' HG22 ' A' ' 729' ' ' VAL . 11.9 mp0 -127.08 114.66 18.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.865 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 731' ' ' TYR . . . . . . . . . . . . . 20.5 p90 -145.52 170.41 16.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.911 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 732' ' ' TRP . . . . . . . . . . . . . 32.3 p-90 -149.6 127.22 11.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.935 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 733' ' ' PHE . . . . . 0.771 ' CD1' ' CD2' ' A' ' 700' ' ' PHE . 36.2 p90 -112.09 146.03 38.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.866 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 734' ' ' ARG . . . . . 0.505 HH21 HD23 ' A' ' 606' ' ' LEU . 0.4 OUTLIER -147.05 123.52 11.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.869 -179.908 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 735' ' ' LEU . . . . . . . . . . . . . 24.8 tp -120.15 105.93 11.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 736' ' ' ARG . . . . . 0.43 ' O ' ' C ' ' A' ' 737' ' ' VAL . 34.1 ttm180 -144.15 138.53 28.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.91 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 737' ' ' VAL . . . . . 0.43 ' C ' ' O ' ' A' ' 736' ' ' ARG . 1.9 p -35.55 149.24 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.106 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 738' ' ' SER . . . . . . . . . . . . . 28.3 t . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.888 -179.855 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 604' ' ' GLU . . . . . . . . . . . . . 4.3 pm0 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.86 0.362 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 605' ' ' ASN . . . . . . . . . . . . . 9.6 m-20 -117.17 171.49 7.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.9 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 606' ' ' LEU . . . . . . . . . . . . . 12.9 tp -141.2 108.43 5.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.94 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 607' ' ' PHE . . . . . 0.744 ' CD2' ' CE1' ' A' ' 637' ' ' PHE . 13.2 t80 -90.94 104.16 16.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.934 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 608' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -112.75 135.18 53.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.837 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 609' ' ' ILE . . . . . . . . . . . . . 68.2 mt -123.3 137.39 56.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.127 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 610' ' ' HIS . . . . . . . . . . . . . 19.3 t60 -128.15 131.36 48.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.909 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 611' ' ' ILE . . . . . 0.513 HD13 ' HB3' ' A' ' 731' ' ' TYR . 23.4 mm -99.73 137.19 27.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.175 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 612' ' ' ASN . . . . . . . . . . . . . 10.6 m120 -93.5 -64.09 1.13 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 613' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.71 179.19 5.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 614' ' ' VAL . . . . . . . . . . . . . 95.1 t -130.49 113.67 26.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.15 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 615' ' ' THR . . . . . . . . . . . . . 39.3 m -87.18 127.11 35.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.172 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 616' ' ' PHE . . . . . 0.624 ' CD1' HG11 ' A' ' 620' ' ' VAL . 9.0 m-85 -105.33 158.72 16.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.845 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 6.3 p -96.35 164.67 12.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.863 -179.787 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 618' ' ' SER . . . . . . . . . . . . . 9.5 t -49.96 -62.36 1.61 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.865 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 619' ' ' GLU . . . . . 0.471 ' HG2' ' N ' ' A' ' 620' ' ' VAL . 24.3 pm0 -47.87 -31.26 4.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.92 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 620' ' ' VAL . . . . . 0.624 HG11 ' CD1' ' A' ' 616' ' ' PHE . 8.5 t -78.69 -31.39 15.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.157 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 621' ' ' LEU . . . . . 0.504 HD22 ' HG ' ' A' ' 651' ' ' LEU . 83.8 mt -70.79 -59.26 2.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.923 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 622' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -55.61 -40.45 72.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.88 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -44.75 -37.68 3.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.112 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 624' ' ' SER . . . . . 0.427 ' CB ' ' HG3' ' A' ' 629' ' ' PRO . 27.9 p -67.64 -56.22 10.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.927 -179.799 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 625' ' ' GLY . . . . . . . . . . . . . . . 116.04 -153.99 17.15 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.453 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 626' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -86.41 43.55 1.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.907 0.384 . . . . 0.0 110.881 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 10.6 ptpp? -144.49 177.31 8.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.917 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 628' ' ' GLU . . . . . 0.401 ' HA ' ' HD2' ' A' ' 629' ' ' PRO . 14.1 mm-40 -106.4 99.45 24.32 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.603 0.716 . . . . 0.0 110.878 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 629' ' ' PRO . . . . . 0.427 ' HG3' ' CB ' ' A' ' 624' ' ' SER . 53.8 Cg_endo -69.75 111.25 2.76 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.731 2.288 . . . . 0.0 112.321 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 630' ' ' VAL . . . . . 0.441 HG13 ' O ' ' A' ' 648' ' ' VAL . 9.0 t -91.4 145.6 7.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.157 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 631' ' ' THR . . . . . . . . . . . . . 1.1 p -150.24 163.38 38.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.183 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 632' ' ' PHE . . . . . 0.427 ' CD1' ' O ' ' A' ' 632' ' ' PHE . 21.5 p90 -142.67 136.54 29.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 633' ' ' CYS . . . . . 0.76 ' SG ' HG22 ' A' ' 682' ' ' VAL . 84.5 m -89.41 137.31 32.43 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 634' ' ' THR . . . . . 0.549 ' HB ' HD11 ' A' ' 642' ' ' LEU . 29.8 p -134.4 123.83 24.7 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.149 -179.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 635' ' ' TYR . . . . . 0.733 ' CD1' HD12 ' A' ' 680' ' ' LEU . 3.8 p90 -164.05 -179.68 6.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.929 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 636' ' ' ALA . . . . . . . . . . . . . . . -147.13 155.7 42.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.074 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 637' ' ' PHE . . . . . 0.744 ' CE1' ' CD2' ' A' ' 607' ' ' PHE . 9.4 t80 -122.35 132.16 54.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.897 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 638' ' ' TYR . . . . . . . . . . . . . 5.0 t80 70.75 29.1 3.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.911 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 639' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 58.87 35.6 24.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.829 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 640' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -93.4 -179.28 5.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -55.52 140.27 41.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 642' ' ' LEU . . . . . 0.549 HD11 ' HB ' ' A' ' 634' ' ' THR . 0.3 OUTLIER -67.7 117.07 9.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.933 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 643' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -92.77 124.49 36.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.902 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 644' ' ' THR . . . . . . . . . . . . . 50.2 m -91.81 134.31 34.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.159 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 645' ' ' THR . . . . . . . . . . . . . 9.8 p -85.41 155.77 59.67 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.576 0.703 . . . . 0.0 111.165 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 646' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 133.32 25.42 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.701 2.267 . . . . 0.0 112.368 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 647' ' ' VAL . . . . . . . . . . . . . 39.7 t -69.37 129.76 33.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.113 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 648' ' ' VAL . . . . . 0.441 ' O ' HG13 ' A' ' 630' ' ' VAL . 84.8 t -134.14 133.16 55.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.175 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 649' ' ' ARG . . . . . 0.409 ' N ' ' HD3' ' A' ' 649' ' ' ARG . 2.0 mpp_? -86.34 136.31 33.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 650' ' ' GLY . . . . . . . . . . . . . . . 129.62 162.38 10.83 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.521 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 651' ' ' LEU . . . . . 0.504 ' HG ' HD22 ' A' ' 621' ' ' LEU . 2.4 mm? -70.78 -56.74 5.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.858 0.361 . . . . 0.0 110.932 -179.891 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 652' ' ' HIS . . . . . 0.413 ' CD2' ' N ' ' A' ' 652' ' ' HIS . 2.0 m-70 -107.44 73.47 0.38 Allowed Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.585 0.707 . . . . 0.0 110.821 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 653' ' ' PRO . . . . . 0.409 ' HD3' ' C ' ' A' ' 651' ' ' LEU . 53.8 Cg_endo -69.81 149.2 66.26 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.691 2.261 . . . . 0.0 112.319 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -113.12 71.47 0.74 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 655' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -42.65 -52.92 4.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 2.9 m120 57.21 39.97 28.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.85 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 657' ' ' PHE . . . . . . . . . . . . . 28.7 t80 -102.24 140.77 36.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.86 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 6.8 m -132.97 137.68 46.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.176 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 54.3 p -132.34 141.1 48.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.798 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 53.2 mt-30 -105.5 152.06 23.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.923 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 661' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -141.52 111.21 6.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 662' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -73.34 101.59 3.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.918 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 663' ' ' VAL . . . . . 0.47 ' O ' HG23 ' A' ' 663' ' ' VAL . 18.6 m -131.28 115.67 30.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.154 179.818 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 664' ' ' HIS . . . . . 0.752 ' O ' HG13 ' A' ' 665' ' ' VAL . 4.1 t-80 -93.95 112.15 23.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.822 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 665' ' ' VAL . . . . . 0.752 HG13 ' O ' ' A' ' 664' ' ' HIS . 0.6 OUTLIER -167.31 169.56 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.132 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 666' ' ' ASN . . . . . . . . . . . . . 7.2 m-80 -127.28 -67.87 0.82 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 667' ' ' ASP . . . . . . . . . . . . . 50.4 m-20 -81.8 -60.23 2.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.812 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 10.8 mp -41.21 -28.83 0.11 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 669' ' ' PHE . . . . . 0.752 ' HD2' HG23 ' A' ' 665' ' ' VAL . 1.0 OUTLIER -61.11 -69.98 0.21 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.95 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 670' ' ' LEU . . . . . . . . . . . . . 43.8 mt -61.17 -42.91 99.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.924 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 671' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -54.88 -39.15 68.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.836 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 672' ' ' TYR . . . . . 0.642 ' CD1' ' C ' ' A' ' 672' ' ' TYR . 0.0 OUTLIER -71.89 -17.2 62.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.886 -179.857 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 673' ' ' ILE . . . . . 0.971 HG21 HG21 ' A' ' 703' ' ' ILE . 67.9 mt -89.2 -33.56 6.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.159 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 674' ' ' GLN . . . . . 0.569 ' HB3' HD21 ' A' ' 704' ' ' LEU . 17.2 pt20 -88.75 -36.22 16.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 675' ' ' LYS . . . . . . . . . . . . . 14.0 mmmt -75.09 -72.61 0.29 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 676' ' ' ASN . . . . . 0.475 ' OD1' ' CD2' ' A' ' 672' ' ' TYR . 3.8 p30 -94.59 153.28 17.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 677' ' ' THR . . . . . 0.412 HG22 ' HB3' ' A' ' 699' ' ' LYS . 82.4 p -117.77 163.55 16.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.167 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 678' ' ' ILE . . . . . 0.422 ' N ' HD12 ' A' ' 678' ' ' ILE . 4.6 mp -89.8 139.92 16.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.173 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 2.8 m -102.13 106.63 17.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.172 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 680' ' ' LEU . . . . . 1.063 HD13 HD11 ' A' ' 698' ' ' LEU . 5.8 tt -120.84 100.62 7.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.943 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 681' ' ' GLU . . . . . 0.474 ' HG2' ' CB ' ' A' ' 695' ' ' ALA . 59.6 mt-10 -98.34 130.39 45.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 682' ' ' VAL . . . . . 0.76 HG22 ' SG ' ' A' ' 633' ' ' CYS . 68.7 t -95.31 102.02 13.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.121 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 683' ' ' HIS . . . . . 0.483 ' N ' ' CD2' ' A' ' 683' ' ' HIS . 0.7 OUTLIER -93.69 132.65 37.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.846 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 684' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -92.34 119.97 32.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -87.23 131.81 34.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.143 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 686' ' ' TYR . . . . . 0.46 ' CD2' ' O ' ' A' ' 689' ' ' GLU . 0.6 OUTLIER -99.59 168.56 9.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.95 -179.813 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 687' ' ' SER . . . . . . . . . . . . . 17.2 m -60.95 -9.29 4.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 688' ' ' THR . . . . . . . . . . . . . 20.3 p -113.64 -72.88 0.68 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.212 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 689' ' ' GLU . . . . . 0.46 ' O ' ' CD2' ' A' ' 686' ' ' TYR . 4.2 pt-20 -123.07 -175.12 3.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 690' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -141.33 133.82 28.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.864 -179.826 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 691' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -145.13 155.5 43.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.877 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 692' ' ' THR . . . . . . . . . . . . . 62.4 m -68.89 130.89 44.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.166 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 693' ' ' ILE . . . . . . . . . . . . . 7.4 pt -122.55 -22.04 3.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.139 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -132.28 152.45 51.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.114 179.8 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 695' ' ' ALA . . . . . 0.474 ' CB ' ' HG2' ' A' ' 681' ' ' GLU . . . -150.99 127.74 10.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.127 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 696' ' ' CYS . . . . . . . . . . . . . 31.3 p -146.57 161.35 40.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 697' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -111.25 117.74 34.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.939 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 698' ' ' LEU . . . . . 1.063 HD11 HD13 ' A' ' 680' ' ' LEU . 99.0 mt -83.12 122.2 28.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.939 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 699' ' ' LYS . . . . . 0.412 ' HB3' HG22 ' A' ' 677' ' ' THR . 6.2 pttt -147.08 124.23 11.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 179.845 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 700' ' ' PHE . . . . . 0.59 ' HB3' ' CZ ' ' A' ' 733' ' ' PHE . 0.5 OUTLIER -100.5 123.88 45.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.887 179.956 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 701' ' ' HIS . . . . . . . . . . . . . 42.2 m80 -90.49 -42.47 10.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.863 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 702' ' ' GLU . . . . . 0.459 ' HB3' HG21 ' A' ' 710' ' ' ILE . 7.4 mp0 -47.87 -36.68 12.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.896 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 703' ' ' ILE . . . . . 0.971 HG21 HG21 ' A' ' 673' ' ' ILE . 1.0 OUTLIER -47.51 -30.32 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.09 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 704' ' ' LEU . . . . . 0.569 HD21 ' HB3' ' A' ' 674' ' ' GLN . 9.9 mt -74.31 -39.48 62.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.947 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 705' ' ' GLU . . . . . . . . . . . . . 73.2 mm-40 -76.37 -70.73 0.43 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.856 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 706' ' ' LYS . . . . . . . . . . . . . 11.8 mtmt -96.24 178.12 5.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.903 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 707' ' ' SER . . . . . . . . . . . . . 25.2 p -148.16 106.61 3.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.851 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 708' ' ' GLY . . . . . . . . . . . . . . . 144.62 -138.98 8.19 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.496 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 709' ' ' ARG . . . . . . . . . . . . . 8.1 ttm180 -62.82 94.31 0.06 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.794 0.331 . . . . 0.0 110.846 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 710' ' ' ILE . . . . . 0.459 HG21 ' HB3' ' A' ' 702' ' ' GLU . 7.7 mt -135.81 126.72 43.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.127 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 711' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -112.67 154.02 26.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.878 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 712' ' ' CYS . . . . . . . . . . . . . 1.8 t -160.37 178.14 9.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.891 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 713' ' ' THR . . . . . 0.425 ' HB ' ' CG2' ' A' ' 728' ' ' THR . 28.7 p -135.55 155.63 50.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.112 -179.857 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 714' ' ' ALA . . . . . . . . . . . . . . . -122.16 168.82 11.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.097 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 715' ' ' SER . . . . . . . . . . . . . 41.0 t -104.76 133.02 50.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.852 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 716' ' ' LEU . . . . . 0.58 ' C ' HD12 ' A' ' 717' ' ' ILE . 12.2 mt -103.74 150.54 23.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.932 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 717' ' ' ILE . . . . . 0.58 HD12 ' C ' ' A' ' 716' ' ' LEU . 4.6 mp -137.2 144.76 31.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.138 179.826 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 718' ' ' GLY . . . . . . . . . . . . . . . -82.19 162.62 42.46 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.455 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 719' ' ' THR . . . . . . . . . . . . . 47.0 p -98.64 -57.23 2.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.895 0.379 . . . . 0.0 111.145 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 720' ' ' LYS . . . . . . . . . . . . . 7.5 mptt -81.16 -48.47 12.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.917 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 721' ' ' GLY . . . . . . . . . . . . . . . -74.62 -16.46 80.16 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.438 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 722' ' ' ASP . . . . . . . . . . . . . 38.1 m-20 54.58 39.08 30.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.792 0.329 . . . . 0.0 110.847 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 723' ' ' ILE . . . . . . . . . . . . . 75.3 mt -84.25 110.47 26.66 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.599 0.714 . . . . 0.0 111.099 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 724' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -27.28 26.49 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.709 2.272 . . . . 0.0 112.341 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 725' ' ' ASN . . . . . . . . . . . . . 47.6 t-20 -106.49 43.56 1.14 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.912 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 726' ' ' PHE . . . . . 0.433 ' O ' HG21 ' A' ' 620' ' ' VAL . 10.7 t80 -56.08 -36.58 68.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 727' ' ' GLY . . . . . . . . . . . . . . . 157.17 170.11 21.73 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.493 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 728' ' ' THR . . . . . 0.425 ' CG2' ' HB ' ' A' ' 713' ' ' THR . 7.5 m -110.97 147.1 35.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.843 0.354 . . . . 0.0 111.145 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 729' ' ' VAL . . . . . . . . . . . . . 11.0 p -112.22 135.8 50.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.161 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -110.08 125.39 52.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 731' ' ' TYR . . . . . 0.513 ' HB3' HD13 ' A' ' 611' ' ' ILE . 3.5 p90 -143.98 177.83 8.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.969 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 732' ' ' TRP . . . . . 0.586 ' CZ2' ' HB2' ' A' ' 734' ' ' ARG . 7.6 t90 -149.8 134.88 17.99 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.953 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 733' ' ' PHE . . . . . 0.59 ' CZ ' ' HB3' ' A' ' 700' ' ' PHE . 12.8 p90 -129.36 149.54 51.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.926 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 734' ' ' ARG . . . . . 0.586 ' HB2' ' CZ2' ' A' ' 732' ' ' TRP . 34.6 ttt180 -141.1 158.44 43.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.865 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 735' ' ' LEU . . . . . 0.544 HD13 ' CZ ' ' A' ' 669' ' ' PHE . 23.5 tp -141.04 105.02 4.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.919 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 736' ' ' ARG . . . . . . . . . . . . . 5.4 tpm_? -152.31 136.85 16.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.863 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 737' ' ' VAL . . . . . 0.406 HG22 ' N ' ' A' ' 738' ' ' SER . 9.0 p -38.49 153.68 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.123 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 738' ' ' SER . . . . . 0.406 ' N ' HG22 ' A' ' 737' ' ' VAL . 22.2 t . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.827 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 604' ' ' GLU . . . . . . . . . . . . . 2.6 pm0 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.797 0.332 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 605' ' ' ASN . . . . . . . . . . . . . 34.9 m120 -116.05 165.78 12.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.919 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 606' ' ' LEU . . . . . 0.426 HD12 ' O ' ' A' ' 661' ' ' TYR . 9.3 tp -140.12 140.59 36.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.898 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 607' ' ' PHE . . . . . 0.4 ' CE2' ' HZ ' ' A' ' 669' ' ' PHE . 31.9 t80 -139.4 124.72 19.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 608' ' ' GLU . . . . . . . . . . . . . 18.5 pt-20 -128.96 147.06 50.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.931 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 609' ' ' ILE . . . . . . . . . . . . . 39.4 mt -123.27 129.44 74.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.174 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 610' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -125.89 118.3 25.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.863 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 32.4 mm -86.56 121.94 38.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.124 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 612' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -72.68 -67.84 0.53 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.918 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 613' ' ' LYS . . . . . . . . . . . . . 2.4 ptpt -166.4 179.08 5.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.883 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 614' ' ' VAL . . . . . . . . . . . . . 70.7 t -127.16 110.85 23.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.101 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 615' ' ' THR . . . . . . . . . . . . . 89.7 m -87.36 145.06 26.48 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.137 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 616' ' ' PHE . . . . . 0.513 ' HB3' ' CG2' ' A' ' 620' ' ' VAL . 32.7 m-85 -127.67 167.78 15.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.899 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 617' ' ' SER . . . . . 0.472 ' O ' ' N ' ' A' ' 619' ' ' GLU . 27.1 t -109.01 146.57 33.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.846 -179.773 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 618' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 617' ' ' SER . 22.4 t -35.3 -32.98 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.841 -179.795 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 619' ' ' GLU . . . . . 0.728 ' HG3' HD13 ' A' ' 723' ' ' ILE . 4.0 tp10 -46.72 -68.93 0.15 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.831 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 620' ' ' VAL . . . . . 0.513 ' CG2' ' HB3' ' A' ' 616' ' ' PHE . 34.0 m -65.81 -38.59 82.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.166 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 621' ' ' LEU . . . . . . . . . . . . . 29.3 mt -48.78 -50.27 34.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.921 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 622' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -76.37 -46.35 27.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -48.06 -43.1 30.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.088 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 73.9 m -63.8 -53.1 56.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 625' ' ' GLY . . . . . . . . . . . . . . . 105.47 -155.01 17.06 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.447 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 626' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -83.35 45.59 1.05 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.835 0.35 . . . . 0.0 110.876 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 10.0 ptmt -143.74 143.57 31.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -97.05 104.69 19.92 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-O 121.699 0.761 . . . . 0.0 110.881 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 629' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.8 116.72 4.69 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.66 2.24 . . . . 0.0 112.363 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 630' ' ' VAL . . . . . 0.712 HG22 ' HB3' ' A' ' 649' ' ' ARG . 4.7 t -80.36 123.56 37.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.164 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 631' ' ' THR . . . . . 0.591 HG22 ' HB3' ' A' ' 684' ' ' GLN . 38.9 p -133.49 165.43 24.89 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.119 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 632' ' ' PHE . . . . . 0.641 ' CE2' ' NE2' ' A' ' 683' ' ' HIS . 18.5 p90 -147.63 140.6 24.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.855 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 633' ' ' CYS . . . . . . . . . . . . . 73.3 m -93.14 129.51 39.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.852 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 634' ' ' THR . . . . . . . . . . . . . 10.9 p -135.66 122.19 20.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.133 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 635' ' ' TYR . . . . . 0.416 ' C ' HD22 ' A' ' 642' ' ' LEU . 32.1 p90 -155.97 162.78 40.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 636' ' ' ALA . . . . . 0.582 ' HB2' HD22 ' A' ' 642' ' ' LEU . . . -114.46 128.54 56.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.127 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 637' ' ' PHE . . . . . 0.655 ' O ' ' CD1' ' A' ' 640' ' ' PHE . 54.5 t80 -105.44 158.9 16.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 638' ' ' TYR . . . . . 0.62 ' HB3' ' CE2' ' A' ' 640' ' ' PHE . 7.3 t80 45.39 25.02 0.19 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 -179.821 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 639' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 51.01 54.97 10.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.924 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 640' ' ' PHE . . . . . 0.655 ' CD1' ' O ' ' A' ' 637' ' ' PHE . 0.0 OUTLIER -137.75 -171.61 3.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.853 -179.835 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 641' ' ' GLU . . . . . 0.458 ' C ' ' O ' ' A' ' 640' ' ' PHE . 16.3 pt-20 -33.24 123.7 0.4 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.915 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 642' ' ' LEU . . . . . 0.684 HD13 ' N ' ' A' ' 643' ' ' GLN . 0.7 OUTLIER -62.45 117.31 5.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.885 -179.92 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 643' ' ' GLN . . . . . 0.684 ' N ' HD13 ' A' ' 642' ' ' LEU . 8.5 mm-40 -78.72 125.15 28.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.905 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 644' ' ' THR . . . . . . . . . . . . . 60.1 m -106.05 134.18 49.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.137 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 645' ' ' THR . . . . . . . . . . . . . 73.3 p -95.55 152.55 39.29 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.55 0.691 . . . . 0.0 111.119 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 646' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 144.26 53.65 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.652 2.234 . . . . 0.0 112.387 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 647' ' ' VAL . . . . . 0.408 ' CG1' ' CG1' ' A' ' 630' ' ' VAL . 58.3 t -68.34 126.18 27.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.126 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 92.6 t -136.21 111.92 11.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.15 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 649' ' ' ARG . . . . . 0.712 ' HB3' HG22 ' A' ' 630' ' ' VAL . 0.0 OUTLIER -84.95 146.4 27.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.848 -179.936 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 650' ' ' GLY . . . . . . . . . . . . . . . 133.8 162.66 10.11 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.47 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 651' ' ' LEU . . . . . 0.554 HD22 ' N ' ' A' ' 651' ' ' LEU . 1.5 mm? -81.71 -52.2 7.4 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.868 0.366 . . . . 0.0 110.861 -179.857 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 652' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 -127.46 57.08 22.12 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.615 0.722 . . . . 0.0 110.895 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 653' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 -170.19 0.37 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.705 2.27 . . . . 0.0 112.361 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 81.5 mt-10 -132.78 77.26 1.73 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.908 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 655' ' ' TYR . . . . . . . . . . . . . 90.2 m-85 -38.85 -57.24 1.25 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.926 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 7.2 m-20 55.73 40.76 30.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.903 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 657' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -94.42 103.57 15.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 6.3 m -117.45 107.41 14.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.168 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 58.2 p -109.28 148.82 30.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.852 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -118.74 121.47 40.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.86 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 661' ' ' TYR . . . . . 0.426 ' O ' HD12 ' A' ' 606' ' ' LEU . 13.3 m-85 -130.49 122.84 28.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.962 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 662' ' ' LEU . . . . . 0.406 ' HA ' HD22 ' A' ' 662' ' ' LEU . 0.6 OUTLIER -72.41 102.16 3.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.927 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 663' ' ' VAL . . . . . 0.558 ' O ' HG23 ' A' ' 663' ' ' VAL . 35.0 m -115.23 115.58 49.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.12 179.857 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 664' ' ' HIS . . . . . 0.542 ' O ' ' CD2' ' A' ' 664' ' ' HIS . 50.1 p-80 -90.87 99.41 12.45 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 665' ' ' VAL . . . . . 0.527 HG11 ' CZ ' ' A' ' 638' ' ' TYR . 4.0 m -156.49 149.8 10.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.125 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 666' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -134.96 -62.97 0.71 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 667' ' ' ASP . . . . . . . . . . . . . 40.5 t0 -83.89 -60.09 2.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.862 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 16.6 mt -41.39 -41.88 2.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.932 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 669' ' ' PHE . . . . . 0.4 ' HZ ' ' CE2' ' A' ' 607' ' ' PHE . 3.7 t80 -49.95 -70.72 0.08 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 670' ' ' LEU . . . . . . . . . . . . . 71.3 mt -49.64 -53.15 25.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.911 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 671' ' ' GLN . . . . . 0.421 ' O ' ' CG ' ' A' ' 675' ' ' LYS . 23.8 mt-30 -45.97 -38.22 7.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 672' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -73.64 -47.98 35.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.952 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 673' ' ' ILE . . . . . . . . . . . . . 29.5 mm -44.32 -45.96 2.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.142 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 674' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -83.81 -54.54 4.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.873 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 675' ' ' LYS . . . . . 0.421 ' CG ' ' O ' ' A' ' 671' ' ' GLN . 79.7 mttt -46.78 -58.83 3.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.897 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 676' ' ' ASN . . . . . . . . . . . . . 7.7 m-80 -119.7 159.07 25.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 11.6 p -119.69 165.8 14.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.142 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 678' ' ' ILE . . . . . . . . . . . . . 15.9 mt -90.02 147.35 5.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.119 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 51.5 m -121.04 101.42 7.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.112 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 680' ' ' LEU . . . . . 0.769 ' O ' HD23 ' A' ' 680' ' ' LEU . 6.5 tt -109.7 101.21 10.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.923 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 681' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -96.69 132.45 42.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 682' ' ' VAL . . . . . 0.422 ' O ' ' HB3' ' A' ' 694' ' ' ALA . 61.8 t -102.91 97.18 5.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.135 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 683' ' ' HIS . . . . . 0.641 ' NE2' ' CE2' ' A' ' 632' ' ' PHE . 5.4 p-80 -106.27 158.31 16.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.84 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 684' ' ' GLN . . . . . 0.591 ' HB3' HG22 ' A' ' 631' ' ' THR . 13.6 pt20 -109.35 147.13 33.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -98.65 104.53 16.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.088 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 686' ' ' TYR . . . . . 0.532 ' CZ ' ' HG3' ' A' ' 684' ' ' GLN . 21.1 m-85 -78.76 167.57 21.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.938 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 687' ' ' SER . . . . . . . . . . . . . 7.3 t -40.4 -61.76 0.86 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.821 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 688' ' ' THR . . . . . . . . . . . . . 8.8 t -134.81 33.6 3.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.159 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 689' ' ' GLU . . . . . 0.519 ' C ' ' CD1' ' A' ' 690' ' ' TYR . 5.7 mp0 -140.92 161.59 37.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.892 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 690' ' ' TYR . . . . . 0.519 ' CD1' ' C ' ' A' ' 689' ' ' GLU . 56.9 m-85 -154.23 118.68 4.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.93 -179.861 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 691' ' ' GLU . . . . . 0.458 ' HG3' ' N ' ' A' ' 692' ' ' THR . 33.3 tp10 -149.63 155.58 40.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.857 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 692' ' ' THR . . . . . 0.458 ' N ' ' HG3' ' A' ' 691' ' ' GLU . 25.8 m -85.8 119.77 26.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.128 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 693' ' ' ILE . . . . . 0.525 HD12 ' HB2' ' A' ' 694' ' ' ALA . 2.6 pp -108.14 -24.05 4.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.122 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 694' ' ' ALA . . . . . 0.525 ' HB2' HD12 ' A' ' 693' ' ' ILE . . . -130.98 152.47 50.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.08 179.821 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 695' ' ' ALA . . . . . . . . . . . . . . . -164.43 133.63 3.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.12 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 696' ' ' CYS . . . . . . . . . . . . . 28.1 p -149.75 162.12 40.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.851 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 697' ' ' GLN . . . . . . . . . . . . . 7.0 mm-40 -112.84 111.43 22.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.921 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 698' ' ' LEU . . . . . 0.703 HD11 HD13 ' A' ' 680' ' ' LEU . 61.6 mt -82.71 135.08 35.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.874 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 699' ' ' LYS . . . . . . . . . . . . . 7.3 ptpt -154.73 128.83 8.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.945 179.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 700' ' ' PHE . . . . . 0.645 ' CD1' ' CE1' ' A' ' 733' ' ' PHE . 4.9 m-85 -100.78 124.91 47.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.899 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 701' ' ' HIS . . . . . . . . . . . . . 33.2 m-70 -91.17 -57.3 2.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.832 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 702' ' ' GLU . . . . . 0.775 ' HB2' HG21 ' A' ' 710' ' ' ILE . 50.2 mm-40 -43.33 -44.87 5.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 703' ' ' ILE . . . . . 0.411 HG22 ' O ' ' A' ' 700' ' ' PHE . 18.2 tt -47.27 -38.03 4.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.114 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 704' ' ' LEU . . . . . . . . . . . . . 17.2 mt -64.81 -36.89 85.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.886 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 705' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -95.47 -64.93 1.01 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.924 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 706' ' ' LYS . . . . . 0.474 ' N ' ' O ' ' A' ' 702' ' ' GLU . 15.6 mttm -82.55 179.64 7.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 707' ' ' SER . . . . . . . . . . . . . 1.1 t -147.95 130.1 15.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.856 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 708' ' ' GLY . . . . . . . . . . . . . . . 117.67 -154.53 16.61 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.494 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 709' ' ' ARG . . . . . 0.431 ' C ' HG13 ' A' ' 710' ' ' ILE . 5.7 ptp180 -61.15 122.08 14.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.796 0.331 . . . . 0.0 110.88 -179.87 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 710' ' ' ILE . . . . . 0.775 HG21 ' HB2' ' A' ' 702' ' ' GLU . 15.6 mt -141.25 116.49 6.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.155 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 711' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 -77.06 125.18 28.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 712' ' ' CYS . . . . . . . . . . . . . 1.7 m -150.76 160.34 43.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.891 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 713' ' ' THR . . . . . . . . . . . . . 32.1 p -142.2 164.53 29.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.152 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 714' ' ' ALA . . . . . . . . . . . . . . . -136.8 151.97 49.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.101 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 715' ' ' SER . . . . . . . . . . . . . 4.9 t -89.86 152.64 21.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.851 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 716' ' ' LEU . . . . . . . . . . . . . 11.1 mt -118.46 144.49 45.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.877 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 717' ' ' ILE . . . . . . . . . . . . . 5.2 mp -132.72 139.04 50.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.108 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 718' ' ' GLY . . . . . . . . . . . . . . . -83.39 132.13 10.87 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.501 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 719' ' ' THR . . . . . . . . . . . . . 55.9 p -79.28 -49.01 13.13 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.849 0.357 . . . . 0.0 111.15 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 720' ' ' LYS . . . . . . . . . . . . . 25.6 mmtt -77.42 -43.82 31.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.901 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 721' ' ' GLY . . . . . . . . . . . . . . . -78.63 -20.3 71.64 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.451 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 722' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 56.94 42.55 26.1 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.804 0.335 . . . . 0.0 110.847 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 723' ' ' ILE . . . . . 0.728 HD13 ' HG3' ' A' ' 619' ' ' GLU . 31.3 mt -106.59 116.3 59.22 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.58 0.705 . . . . 0.0 111.128 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 724' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.76 -38.08 8.28 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.671 2.247 . . . . 0.0 112.331 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 725' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -85.14 39.42 0.77 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.858 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 726' ' ' PHE . . . . . 0.426 ' CZ ' HG11 ' A' ' 620' ' ' VAL . 4.2 t80 -57.4 -48.78 78.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.883 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 727' ' ' GLY . . . . . . . . . . . . . . . 155.88 173.4 24.45 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.486 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 728' ' ' THR . . . . . . . . . . . . . 7.5 m -114.82 152.85 31.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.803 0.335 . . . . 0.0 111.154 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 729' ' ' VAL . . . . . . . . . . . . . 7.6 p -108.83 141.39 24.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.114 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -112.09 107.24 16.1 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 731' ' ' TYR . . . . . . . . . . . . . 5.3 p90 -125.08 177.41 6.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.954 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 732' ' ' TRP . . . . . 0.59 ' CZ2' ' HB2' ' A' ' 734' ' ' ARG . 24.6 t90 -156.39 128.78 7.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.937 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 733' ' ' PHE . . . . . 0.645 ' CE1' ' CD1' ' A' ' 700' ' ' PHE . 30.3 p90 -128.67 153.28 47.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.869 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 734' ' ' ARG . . . . . 0.59 ' HB2' ' CZ2' ' A' ' 732' ' ' TRP . 0.0 OUTLIER -145.52 121.19 10.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.855 -179.874 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 735' ' ' LEU . . . . . . . . . . . . . 41.8 tp -118.7 112.64 20.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.907 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 736' ' ' ARG . . . . . . . . . . . . . 39.1 mtp180 -154.97 152.13 29.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 737' ' ' VAL . . . . . . . . . . . . . 9.0 p -49.15 137.7 4.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.139 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 738' ' ' SER . . . . . . . . . . . . . 14.4 t . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.857 -179.833 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 604' ' ' GLU . . . . . . . . . . . . . 24.0 pm0 . . . . . 0 N--CA 1.457 -0.075 0 CA-C-O 120.867 0.365 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 605' ' ' ASN . . . . . . . . . . . . . 19.4 m-80 -132.4 168.28 18.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.899 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 606' ' ' LEU . . . . . 0.606 HD23 ' N ' ' A' ' 607' ' ' PHE . 2.9 tt -138.83 128.79 25.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.943 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 607' ' ' PHE . . . . . 0.606 ' N ' HD23 ' A' ' 606' ' ' LEU . 12.3 t80 -112.57 115.37 28.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 608' ' ' GLU . . . . . 0.463 ' CD ' HD22 ' A' ' 606' ' ' LEU . 20.1 mp0 -103.89 149.39 25.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.894 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 609' ' ' ILE . . . . . 0.541 HD11 ' CE2' ' A' ' 607' ' ' PHE . 87.7 mt -148.78 114.02 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.129 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 610' ' ' HIS . . . . . 0.578 ' CD2' ' C ' ' A' ' 610' ' ' HIS . 0.4 OUTLIER -120.17 143.02 48.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.814 179.89 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 17.0 mm -107.12 126.57 63.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.108 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 612' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -75.79 -67.05 0.71 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.903 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 613' ' ' LYS . . . . . . . . . . . . . 17.4 pttt -170.61 178.84 3.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.89 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 614' ' ' VAL . . . . . . . . . . . . . 88.0 t -126.46 112.2 28.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.147 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 615' ' ' THR . . . . . . . . . . . . . 25.9 m -87.5 140.18 29.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.177 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 616' ' ' PHE . . . . . 0.522 ' CD1' HG11 ' A' ' 620' ' ' VAL . 18.3 m-85 -110.64 157.99 19.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.942 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 1.3 t -112.98 172.82 6.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 618' ' ' SER . . . . . . . . . . . . . 23.4 p -49.18 -57.29 6.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.855 -179.812 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 619' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -45.29 -36.19 3.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.899 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 620' ' ' VAL . . . . . 0.62 HG21 ' O ' ' A' ' 726' ' ' PHE . 5.6 t -77.71 -41.67 28.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.13 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 621' ' ' LEU . . . . . . . . . . . . . 93.0 mt -61.97 -46.61 88.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 622' ' ' GLN . . . . . . . . . . . . . 60.8 mt-30 -56.64 -40.34 75.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.953 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -50.24 -29.62 9.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.058 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 2.7 t -134.19 -164.7 1.54 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.849 -179.771 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 625' ' ' GLY . . . . . . . . . . . . . . . -117.22 -140.94 6.79 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.523 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 626' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -101.81 34.62 2.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.901 0.381 . . . . 0.0 110.871 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 627' ' ' LYS . . . . . 0.457 ' O ' ' C ' ' A' ' 628' ' ' GLU . 9.1 pttp -100.57 107.95 19.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 628' ' ' GLU . . . . . 0.457 ' C ' ' O ' ' A' ' 627' ' ' LYS . 51.0 mt-10 -33.55 96.65 0.1 Allowed Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.64 0.733 . . . . 0.0 110.908 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 629' ' ' PRO . . . . . 0.506 ' CD ' HD22 ' A' ' 651' ' ' LEU . 54.0 Cg_endo -69.73 113.52 3.4 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.701 2.267 . . . . 0.0 112.355 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 630' ' ' VAL . . . . . 0.644 HG22 ' HG2' ' A' ' 649' ' ' ARG . 10.7 t -80.07 116.02 23.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.146 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 631' ' ' THR . . . . . 0.703 ' O ' HG23 ' A' ' 647' ' ' VAL . 33.8 p -144.38 175.07 10.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.14 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 632' ' ' PHE . . . . . . . . . . . . . 27.7 p90 -167.54 152.0 6.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.868 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 633' ' ' CYS . . . . . . . . . . . . . 63.4 m -95.09 152.49 18.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 634' ' ' THR . . . . . . . . . . . . . 2.5 p -150.08 128.89 12.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.16 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 635' ' ' TYR . . . . . 0.503 ' CD1' HD12 ' A' ' 680' ' ' LEU . 15.2 p90 -168.83 165.72 11.66 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.911 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 636' ' ' ALA . . . . . 0.498 ' HB2' HD22 ' A' ' 642' ' ' LEU . . . -130.05 153.73 48.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.137 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 637' ' ' PHE . . . . . 0.483 ' CD1' ' HB2' ' A' ' 638' ' ' TYR . 39.4 t80 -127.42 134.68 49.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.836 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 638' ' ' TYR . . . . . 0.567 ' HB3' ' CD2' ' A' ' 640' ' ' PHE . 4.2 t80 63.45 28.87 15.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.922 -179.867 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 639' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 59.01 34.58 23.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.888 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 640' ' ' PHE . . . . . 0.567 ' CD2' ' HB3' ' A' ' 638' ' ' TYR . 10.2 m-85 -94.37 174.67 7.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -48.76 129.99 17.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.868 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 642' ' ' LEU . . . . . 0.498 HD22 ' HB2' ' A' ' 636' ' ' ALA . 0.6 OUTLIER -57.95 110.6 0.95 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.9 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 643' ' ' GLN . . . . . . . . . . . . . 2.9 tp60 -79.53 125.15 29.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 644' ' ' THR . . . . . . . . . . . . . 50.0 m -100.04 130.17 46.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.116 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 645' ' ' THR . . . . . . . . . . . . . 57.7 p -89.23 152.8 48.33 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.584 0.706 . . . . 0.0 111.102 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 646' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 115.79 4.25 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.692 2.262 . . . . 0.0 112.387 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 647' ' ' VAL . . . . . 0.703 HG23 ' O ' ' A' ' 631' ' ' THR . 7.4 p -71.05 141.64 16.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.138 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 57.8 t -138.02 140.78 39.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.103 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 649' ' ' ARG . . . . . 0.644 ' HG2' HG22 ' A' ' 630' ' ' VAL . 40.7 mtm180 -85.55 124.77 32.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.847 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 650' ' ' GLY . . . . . 0.402 ' N ' ' HB3' ' A' ' 628' ' ' GLU . . . 147.27 159.18 8.2 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.481 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 651' ' ' LEU . . . . . 0.506 HD22 ' CD ' ' A' ' 629' ' ' PRO . 4.1 mm? -64.36 -59.44 4.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.888 0.375 . . . . 0.0 110.916 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 652' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -113.33 80.99 4.79 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.615 0.721 . . . . 0.0 110.875 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 653' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 161.91 44.11 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.682 2.255 . . . . 0.0 112.354 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -125.66 75.02 1.45 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.896 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 655' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -45.35 -62.39 1.29 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.91 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 20.2 m-80 61.86 35.68 16.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.893 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 657' ' ' PHE . . . . . . . . . . . . . 11.5 t80 -95.1 146.22 24.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 13.5 m -121.39 144.76 48.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.155 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 17.0 m -117.83 149.31 41.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.825 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -153.05 128.89 10.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.921 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 661' ' ' TYR . . . . . . . . . . . . . 75.2 m-85 -154.34 135.65 14.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.955 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 662' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -78.91 109.96 13.67 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.939 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 663' ' ' VAL . . . . . 0.535 ' O ' HG23 ' A' ' 663' ' ' VAL . 25.6 m -128.36 119.96 51.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.149 179.824 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 664' ' ' HIS . . . . . . . . . . . . . 10.0 t-80 -98.68 98.33 9.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 665' ' ' VAL . . . . . . . . . . . . . 2.5 p -175.11 137.67 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.14 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 666' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -132.55 -69.35 0.58 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 667' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -46.06 -42.71 13.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 72.6 mt -84.85 -14.87 46.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.927 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 669' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -77.55 -25.32 50.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.916 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 670' ' ' LEU . . . . . . . . . . . . . 24.8 mt -84.75 -67.94 0.76 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.901 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 671' ' ' GLN . . . . . . . . . . . . . 20.5 pt20 -45.27 -25.91 0.44 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.925 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 672' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -71.13 -41.24 70.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 673' ' ' ILE . . . . . 0.562 HD13 HG21 ' A' ' 703' ' ' ILE . 97.1 mt -68.12 -27.62 37.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.139 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 674' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 -86.02 -54.24 4.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 675' ' ' LYS . . . . . . . . . . . . . 26.8 mtpp -58.32 -70.3 0.15 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 676' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -104.11 170.27 8.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.927 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 10.3 p -139.88 172.13 13.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.176 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 678' ' ' ILE . . . . . 0.473 ' O ' ' N ' ' A' ' 698' ' ' LEU . 5.2 mp -89.31 142.93 12.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.156 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 22.0 m -116.3 101.2 8.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.154 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 680' ' ' LEU . . . . . 0.591 HD13 HD11 ' A' ' 698' ' ' LEU . 4.9 tt -109.62 116.31 31.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 681' ' ' GLU . . . . . 0.452 ' HB2' ' CE1' ' A' ' 683' ' ' HIS . 9.3 mt-10 -110.99 158.8 18.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 682' ' ' VAL . . . . . . . . . . . . . 64.1 t -122.09 98.24 5.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.17 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 683' ' ' HIS . . . . . 0.687 ' ND1' HG23 ' A' ' 692' ' ' THR . 2.9 m-70 -93.35 149.63 21.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.84 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 684' ' ' GLN . . . . . 0.423 ' HA ' HG22 ' A' ' 631' ' ' THR . 15.5 mt-30 -90.03 159.56 16.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -123.67 102.49 7.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.146 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 686' ' ' TYR . . . . . 0.433 ' O ' ' C ' ' A' ' 687' ' ' SER . 1.9 m-85 -101.23 168.33 9.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.973 -179.874 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 687' ' ' SER . . . . . 0.501 ' O ' ' CG2' ' A' ' 688' ' ' THR . 3.9 m -35.29 100.25 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 688' ' ' THR . . . . . 0.501 ' CG2' ' O ' ' A' ' 687' ' ' SER . 8.1 t 44.6 48.78 8.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.135 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 689' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -139.76 159.42 42.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.919 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 690' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -147.44 117.54 7.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.957 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 691' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -149.25 150.99 33.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 692' ' ' THR . . . . . 0.687 HG23 ' ND1' ' A' ' 683' ' ' HIS . 27.6 m -92.14 140.27 29.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.159 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 693' ' ' ILE . . . . . 0.471 HG13 ' N ' ' A' ' 694' ' ' ALA . 6.5 pt -129.53 -32.05 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.066 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 694' ' ' ALA . . . . . 0.471 ' N ' HG13 ' A' ' 693' ' ' ILE . . . -124.81 155.02 40.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.104 179.823 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 695' ' ' ALA . . . . . 0.437 ' CB ' ' HG2' ' A' ' 681' ' ' GLU . . . -161.14 124.95 3.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.067 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 696' ' ' CYS . . . . . 0.526 ' HB3' HD23 ' A' ' 716' ' ' LEU . 11.8 p -143.05 165.57 27.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.836 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 697' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -114.05 118.52 34.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 698' ' ' LEU . . . . . 0.591 HD11 HD13 ' A' ' 680' ' ' LEU . 21.2 mt -80.15 116.91 20.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 699' ' ' LYS . . . . . . . . . . . . . 8.0 ptpt -138.99 132.28 29.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.868 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 700' ' ' PHE . . . . . 0.533 ' HB3' ' CZ ' ' A' ' 733' ' ' PHE . 2.5 m-85 -106.81 124.88 50.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.869 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 701' ' ' HIS . . . . . . . . . . . . . 28.4 m-70 -88.42 -66.53 0.91 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.858 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 702' ' ' GLU . . . . . 0.704 ' CB ' HG21 ' A' ' 710' ' ' ILE . 5.0 mp0 -48.71 -32.66 8.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.85 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 703' ' ' ILE . . . . . 0.562 HG21 HD13 ' A' ' 673' ' ' ILE . 0.1 OUTLIER -47.65 -37.33 5.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.146 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 704' ' ' LEU . . . . . 0.521 HD21 ' CG2' ' A' ' 673' ' ' ILE . 10.7 mt -69.85 -51.46 33.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 179.854 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 705' ' ' GLU . . . . . 0.453 ' HG3' ' N ' ' A' ' 706' ' ' LYS . 4.0 tp10 -73.1 -62.99 1.27 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.895 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 706' ' ' LYS . . . . . 0.466 ' HG3' ' CD1' ' A' ' 710' ' ' ILE . 9.3 ptmt -105.39 161.56 14.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.877 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 707' ' ' SER . . . . . . . . . . . . . 3.2 m -141.94 151.61 42.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 708' ' ' GLY . . . . . . . . . . . . . . . 116.84 -108.51 1.76 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.502 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 709' ' ' ARG . . . . . . . . . . . . . 1.8 ptt180 -104.06 92.03 4.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.849 0.356 . . . . 0.0 110.878 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 710' ' ' ILE . . . . . 0.704 HG21 ' CB ' ' A' ' 702' ' ' GLU . 11.9 mt -124.24 121.4 61.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.117 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 711' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -80.35 127.66 32.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 712' ' ' CYS . . . . . . . . . . . . . 3.5 m -149.45 169.72 20.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 713' ' ' THR . . . . . . . . . . . . . 21.9 p -150.35 166.41 30.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.173 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 714' ' ' ALA . . . . . . . . . . . . . . . -132.03 143.52 50.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.121 179.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 715' ' ' SER . . . . . . . . . . . . . 89.1 p -91.11 148.83 22.1 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.851 -179.762 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 716' ' ' LEU . . . . . 0.526 HD23 ' HB3' ' A' ' 696' ' ' CYS . 48.4 mt -110.52 143.88 40.2 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.902 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 717' ' ' ILE . . . . . 0.448 HD12 ' C ' ' A' ' 716' ' ' LEU . 4.9 mp -134.75 118.32 25.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.123 179.822 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 718' ' ' GLY . . . . . . . . . . . . . . . -57.05 145.95 36.8 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.44 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 719' ' ' THR . . . . . . . . . . . . . 14.1 p -71.57 -73.64 0.18 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.821 0.343 . . . . 0.0 111.11 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 720' ' ' LYS . . . . . . . . . . . . . 8.3 pttt -77.81 -47.49 18.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.903 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 721' ' ' GLY . . . . . . . . . . . . . . . -60.11 -35.81 88.67 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.491 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 722' ' ' ASP . . . . . . . . . . . . . 7.9 t0 65.67 50.4 1.61 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.841 0.353 . . . . 0.0 110.888 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 723' ' ' ILE . . . . . 0.485 HG22 ' N ' ' A' ' 726' ' ' PHE . 91.5 mt -99.63 107.2 44.55 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.624 0.726 . . . . 0.0 111.146 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 724' ' ' PRO . . . . . 0.424 ' HD2' ' HA ' ' A' ' 723' ' ' ILE . 53.5 Cg_endo -69.82 -27.28 26.39 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.663 2.242 . . . . 0.0 112.293 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 725' ' ' ASN . . . . . . . . . . . . . 55.6 m-20 -101.18 25.64 7.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.856 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 726' ' ' PHE . . . . . 0.62 ' O ' HG21 ' A' ' 620' ' ' VAL . 20.8 t80 -51.44 -35.89 41.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.904 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 727' ' ' GLY . . . . . . . . . . . . . . . 155.24 167.87 17.54 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.496 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 728' ' ' THR . . . . . . . . . . . . . 1.6 m -121.19 147.12 46.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.814 0.34 . . . . 0.0 111.171 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 729' ' ' VAL . . . . . . . . . . . . . 13.9 p -108.2 142.3 21.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.147 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -109.13 136.62 48.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 731' ' ' TYR . . . . . . . . . . . . . 5.3 p90 -164.73 169.09 17.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 732' ' ' TRP . . . . . . . . . . . . . 32.9 p-90 -147.24 128.0 14.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.917 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 733' ' ' PHE . . . . . 0.533 ' CZ ' ' HB3' ' A' ' 700' ' ' PHE . 23.3 p90 -109.78 157.84 18.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.893 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 734' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.21 124.78 5.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.868 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 735' ' ' LEU . . . . . . . . . . . . . 34.5 tp -119.55 113.92 21.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.95 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 736' ' ' ARG . . . . . . . . . . . . . 19.2 mtm180 -143.42 163.94 31.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.91 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 737' ' ' VAL . . . . . . . . . . . . . 11.9 p -61.52 144.4 13.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.144 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 738' ' ' SER . . . . . . . . . . . . . 24.5 t . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.829 -179.847 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 588' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 8.4 t -154.59 160.8 41.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.889 0.376 . . . . 0.0 110.86 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 590' ' ' SER . . . . . . . . . . . . . 3.5 m -151.19 159.8 44.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.835 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 591' ' ' GLY . . . . . . . . . . . . . . . 155.04 -165.72 32.3 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.498 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 40.8 t -51.68 118.0 3.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.888 0.375 . . . . 0.0 110.848 -179.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 58.0 m -158.54 174.54 14.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.867 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 594' ' ' GLY . . . . . . . . . . . . . . . -141.82 160.27 27.02 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.492 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 595' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -144.3 135.56 25.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.767 0.317 . . . . 0.0 110.886 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 596' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -132.79 114.68 14.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.865 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 597' ' ' THR . . . . . . . . . . . . . 7.3 t -159.22 155.37 26.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.135 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 598' ' ' ILE . . . . . . . . . . . . . 41.4 mm -93.28 -64.79 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.169 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 599' ' ' HIS . . . . . . . . . . . . . 12.8 t-80 -112.1 128.17 56.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.862 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 600' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -71.37 160.95 31.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.952 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 601' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -63.49 172.01 2.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 602' ' ' ARG . . . . . . . . . . . . . 26.7 mmm180 -75.86 101.47 5.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.835 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 603' ' ' GLY . . . . . . . . . . . . . . . -175.31 179.5 46.51 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.509 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 604' ' ' GLU . . . . . 0.603 ' HB3' HD21 ' A' ' 662' ' ' LEU . 21.0 mm-40 -72.0 145.61 48.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.809 0.338 . . . . 0.0 110.871 -179.823 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 605' ' ' ASN . . . . . . . . . . . . . 88.7 m-20 -120.5 131.63 54.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.92 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 606' ' ' LEU . . . . . . . . . . . . . 6.0 tp -110.45 119.16 38.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.946 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 607' ' ' PHE . . . . . 0.514 ' HE1' HD11 ' A' ' 609' ' ' ILE . 12.4 t80 -99.5 108.27 20.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.875 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 608' ' ' GLU . . . . . 0.402 ' HG2' ' CB ' ' A' ' 660' ' ' GLN . 3.5 mt-10 -109.88 147.72 32.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 609' ' ' ILE . . . . . 0.514 HD11 ' HE1' ' A' ' 607' ' ' PHE . 69.5 mt -139.31 109.11 3.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.113 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 610' ' ' HIS . . . . . 0.433 ' HB3' ' CE2' ' A' ' 732' ' ' TRP . 0.3 OUTLIER -108.19 118.7 37.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 179.883 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 12.6 mm -97.52 114.91 35.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.115 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 612' ' ' ASN . . . . . 0.412 ' CG ' ' HD3' ' A' ' 613' ' ' LYS . 33.4 t-20 -63.26 -67.72 0.4 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.882 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 613' ' ' LYS . . . . . 0.412 ' HD3' ' CG ' ' A' ' 612' ' ' ASN . 0.0 OUTLIER -170.17 178.65 3.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.898 179.93 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 614' ' ' VAL . . . . . 0.448 HG23 ' HE2' ' A' ' 655' ' ' TYR . 75.6 t -124.46 118.11 52.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.106 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 615' ' ' THR . . . . . 0.436 HG22 ' N ' ' A' ' 616' ' ' PHE . 7.4 m -91.15 159.2 16.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.15 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 616' ' ' PHE . . . . . 0.48 ' CG ' HG11 ' A' ' 620' ' ' VAL . 21.7 m-85 -126.56 166.4 17.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.883 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 1.1 t -100.91 157.94 16.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.873 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 618' ' ' SER . . . . . 0.509 ' HA ' HD12 ' A' ' 621' ' ' LEU . 94.4 p -43.05 -28.66 0.29 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.9 -179.826 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 619' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -72.02 -50.97 24.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.886 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 620' ' ' VAL . . . . . 0.48 HG11 ' CG ' ' A' ' 616' ' ' PHE . 4.7 t -67.81 -36.26 75.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.127 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 621' ' ' LEU . . . . . 0.509 HD12 ' HA ' ' A' ' 618' ' ' SER . 88.7 mt -56.23 -47.03 79.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.851 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 622' ' ' GLN . . . . . . . . . . . . . 55.7 mm-40 -79.69 -48.54 13.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.881 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -47.85 -30.65 4.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.087 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 2.7 t -42.44 -71.41 0.08 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 625' ' ' GLY . . . . . . . . . . . . . . . 137.09 30.0 0.28 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.463 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 626' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 53.41 30.23 10.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.951 0.405 . . . . 0.0 110.874 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 29.4 mtmm -142.11 125.32 16.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 628' ' ' GLU . . . . . 0.405 ' HA ' ' HD2' ' A' ' 629' ' ' PRO . 13.7 mt-10 -37.93 99.8 0.19 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.613 0.72 . . . . 0.0 110.879 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 629' ' ' PRO . . . . . 0.599 ' HD2' HD22 ' A' ' 651' ' ' LEU . 53.8 Cg_endo -69.73 131.7 21.83 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.74 2.293 . . . . 0.0 112.37 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 630' ' ' VAL . . . . . . . . . . . . . 2.4 t -109.37 120.54 60.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.161 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 631' ' ' THR . . . . . . . . . . . . . 9.7 p -139.14 167.67 21.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.172 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 632' ' ' PHE . . . . . 0.641 ' HE1' ' HB2' ' A' ' 685' ' ' ALA . 45.3 p90 -153.05 145.16 23.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.886 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 633' ' ' CYS . . . . . 0.69 ' SG ' HG21 ' A' ' 645' ' ' THR . 0.5 OUTLIER -109.46 163.65 13.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.88 -179.921 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 634' ' ' THR . . . . . . . . . . . . . 43.6 p -149.03 153.79 38.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.14 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 635' ' ' TYR . . . . . 0.414 ' CD1' ' C ' ' A' ' 635' ' ' TYR . 5.3 p90 -166.77 165.99 16.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.931 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 636' ' ' ALA . . . . . 0.784 ' HB2' HD12 ' A' ' 642' ' ' LEU . . . -143.75 133.96 24.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.109 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 637' ' ' PHE . . . . . 0.571 ' CD2' ' HB2' ' A' ' 638' ' ' TYR . 63.3 t80 -110.33 149.17 30.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.862 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 638' ' ' TYR . . . . . 0.571 ' HB2' ' CD2' ' A' ' 637' ' ' PHE . 3.3 t80 46.97 33.74 2.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 639' ' ' ASP . . . . . . . . . . . . . 7.5 t0 53.1 40.72 31.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.875 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 640' ' ' PHE . . . . . 0.445 ' CD2' ' HB3' ' A' ' 638' ' ' TYR . 5.5 m-85 -95.25 -174.98 3.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.866 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -61.34 127.18 30.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.862 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 642' ' ' LEU . . . . . 0.784 HD12 ' HB2' ' A' ' 636' ' ' ALA . 3.4 tp -65.54 141.88 58.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.931 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 643' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -114.5 132.69 56.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 644' ' ' THR . . . . . . . . . . . . . 59.9 m -95.11 118.13 31.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.11 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 645' ' ' THR . . . . . 0.69 HG21 ' SG ' ' A' ' 633' ' ' CYS . 46.8 p -58.0 153.27 35.07 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.562 0.696 . . . . 0.0 111.169 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 646' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 121.62 8.3 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.713 2.275 . . . . 0.0 112.324 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 647' ' ' VAL . . . . . . . . . . . . . 26.4 t -69.04 134.38 30.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.119 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 24.2 t -148.65 141.41 18.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.114 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 649' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -90.68 147.39 23.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.837 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 650' ' ' GLY . . . . . . . . . . . . . . . 135.52 -176.74 19.93 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.462 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 651' ' ' LEU . . . . . 0.599 HD22 ' HD2' ' A' ' 629' ' ' PRO . 4.2 mm? -94.81 -47.42 6.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.879 0.371 . . . . 0.0 110.964 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 652' ' ' HIS . . . . . 0.532 ' CD2' ' HB3' ' A' ' 651' ' ' LEU . 0.6 OUTLIER -129.45 70.05 81.62 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.574 0.702 . . . . 0.0 110.848 179.846 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 653' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 165.42 30.97 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.672 2.248 . . . . 0.0 112.373 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -117.09 80.14 1.44 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 655' ' ' TYR . . . . . 0.448 ' HE2' HG23 ' A' ' 614' ' ' VAL . 66.8 m-85 -40.51 -37.82 0.76 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.88 -179.84 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 44.64 38.49 2.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.874 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 657' ' ' PHE . . . . . . . . . . . . . 56.5 t80 -96.2 130.23 43.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 13.6 m -126.78 107.47 10.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.139 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 1.3 t -106.56 137.18 45.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 660' ' ' GLN . . . . . 0.402 ' CB ' ' HG2' ' A' ' 608' ' ' GLU . 3.8 pt20 -147.13 145.24 29.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.895 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 661' ' ' TYR . . . . . 0.528 ' CE1' ' CD2' ' A' ' 637' ' ' PHE . 0.6 OUTLIER -149.09 128.36 12.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.932 -179.897 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 662' ' ' LEU . . . . . 0.603 HD21 ' HB3' ' A' ' 604' ' ' GLU . 2.2 tm? -72.86 99.29 2.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.909 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 663' ' ' VAL . . . . . . . . . . . . . 10.2 m -115.76 131.92 66.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.116 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 664' ' ' HIS . . . . . 0.522 ' CG ' ' O ' ' A' ' 664' ' ' HIS . 5.0 p80 -100.72 107.1 18.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.853 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 665' ' ' VAL . . . . . 0.625 HG13 ' HD2' ' A' ' 669' ' ' PHE . 7.6 p -174.58 136.42 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.158 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 666' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -124.43 -68.76 0.84 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.915 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 667' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -56.74 -57.03 14.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.882 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 22.1 mt -62.75 -17.47 61.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 669' ' ' PHE . . . . . 0.625 ' HD2' HG13 ' A' ' 665' ' ' VAL . 1.7 t80 -70.96 -63.19 1.15 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 670' ' ' LEU . . . . . . . . . . . . . 86.2 mt -54.02 -50.48 66.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.908 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 671' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -51.65 -42.23 61.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.916 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 672' ' ' TYR . . . . . 0.463 ' CD1' ' C ' ' A' ' 672' ' ' TYR . 1.7 t80 -60.31 -47.88 84.14 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.899 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 673' ' ' ILE . . . . . 0.41 HD12 HG21 ' A' ' 703' ' ' ILE . 7.5 mm -48.92 -33.03 5.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.147 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 674' ' ' GLN . . . . . 0.527 ' HG2' HD21 ' A' ' 704' ' ' LEU . 20.9 mm100 -90.47 -62.8 1.38 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.923 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 675' ' ' LYS . . . . . . . . . . . . . 39.5 mtpt -38.34 -48.67 1.36 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.917 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 676' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -147.95 145.82 28.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.848 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 77.0 p -111.79 175.48 5.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.128 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 678' ' ' ILE . . . . . 0.431 ' O ' ' N ' ' A' ' 698' ' ' LEU . 4.8 mp -87.86 133.66 29.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.134 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 63.1 m -109.04 107.4 17.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.155 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 680' ' ' LEU . . . . . 0.702 ' O ' HD23 ' A' ' 680' ' ' LEU . 7.4 tt -114.31 101.68 9.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.902 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 681' ' ' GLU . . . . . 0.473 ' HG2' ' CB ' ' A' ' 695' ' ' ALA . 7.9 mt-10 -95.97 147.56 23.56 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 682' ' ' VAL . . . . . . . . . . . . . 77.0 t -109.18 106.1 20.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.139 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 683' ' ' HIS . . . . . 0.638 ' NE2' ' CE2' ' A' ' 632' ' ' PHE . 0.3 OUTLIER -104.89 147.3 27.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.86 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 684' ' ' GLN . . . . . 0.453 ' HB3' ' CE1' ' A' ' 686' ' ' TYR . 5.3 tt0 -86.75 123.83 32.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.903 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 685' ' ' ALA . . . . . 0.641 ' HB2' ' HE1' ' A' ' 632' ' ' PHE . . . -95.8 104.93 16.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.115 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 686' ' ' TYR . . . . . 0.453 ' CE1' ' HB3' ' A' ' 684' ' ' GLN . 6.2 m-85 -89.67 164.41 14.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.928 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 687' ' ' SER . . . . . . . . . . . . . 94.3 p -77.74 5.91 8.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.896 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 688' ' ' THR . . . . . . . . . . . . . 2.4 p -131.59 -53.9 1.01 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.135 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 689' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -130.54 178.33 6.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 690' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -141.72 124.89 16.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 691' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -141.71 155.12 45.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.886 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 692' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -90.03 143.25 26.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.125 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 693' ' ' ILE . . . . . 0.568 HD13 ' H ' ' A' ' 693' ' ' ILE . 0.3 OUTLIER -132.86 -1.2 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.163 179.911 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -153.25 151.54 30.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.095 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 695' ' ' ALA . . . . . 0.473 ' CB ' ' HG2' ' A' ' 681' ' ' GLU . . . -160.37 125.86 3.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.08 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 696' ' ' CYS . . . . . 0.41 ' SG ' HD23 ' A' ' 716' ' ' LEU . 8.1 p -132.12 171.46 13.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.913 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 697' ' ' GLN . . . . . . . . . . . . . 11.4 mm100 -112.36 111.46 22.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.935 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 698' ' ' LEU . . . . . 0.431 ' N ' ' O ' ' A' ' 678' ' ' ILE . 9.7 mt -85.23 113.24 21.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.891 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 699' ' ' LYS . . . . . . . . . . . . . 7.3 ptpp? -146.2 144.38 29.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 700' ' ' PHE . . . . . 0.471 ' CD1' ' CD1' ' A' ' 733' ' ' PHE . 3.7 m-85 -111.08 124.89 53.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 701' ' ' HIS . . . . . . . . . . . . . 6.5 m80 -88.99 -51.09 5.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.831 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 702' ' ' GLU . . . . . 0.738 ' CB ' HG21 ' A' ' 710' ' ' ILE . 1.4 mp0 -50.27 -43.12 53.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.898 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 703' ' ' ILE . . . . . 0.41 HG21 HD12 ' A' ' 673' ' ' ILE . 9.9 tt -48.13 -27.06 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.116 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 704' ' ' LEU . . . . . 0.527 HD21 ' HG2' ' A' ' 674' ' ' GLN . 12.8 mt -65.32 -36.07 82.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 705' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -107.26 -59.08 1.87 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.884 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 706' ' ' LYS . . . . . . . . . . . . . 13.0 mttt -87.54 179.47 6.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.903 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 707' ' ' SER . . . . . . . . . . . . . 5.1 m -159.48 115.8 2.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 708' ' ' GLY . . . . . . . . . . . . . . . 143.88 -149.11 21.11 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.526 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 709' ' ' ARG . . . . . . . . . . . . . 26.3 ttt180 -70.71 84.79 0.64 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.814 0.34 . . . . 0.0 110.877 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 710' ' ' ILE . . . . . 0.738 HG21 ' CB ' ' A' ' 702' ' ' GLU . 12.6 mt -107.49 96.65 4.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.149 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 711' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -52.16 133.3 33.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.938 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 712' ' ' CYS . . . . . . . . . . . . . 2.2 t -159.39 166.98 29.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 713' ' ' THR . . . . . . . . . . . . . 16.6 p -145.2 166.81 24.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.168 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 714' ' ' ALA . . . . . 0.471 ' HB3' ' CG1' ' A' ' 729' ' ' VAL . . . -137.98 145.74 42.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.094 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 715' ' ' SER . . . . . . . . . . . . . 77.9 p -93.87 154.59 17.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.88 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 716' ' ' LEU . . . . . 0.41 HD23 ' SG ' ' A' ' 696' ' ' CYS . 17.1 mt -119.85 135.15 54.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 717' ' ' ILE . . . . . . . . . . . . . 3.8 mp -122.45 140.85 45.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.165 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 718' ' ' GLY . . . . . . . . . . . . . . . -75.94 134.88 16.81 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.471 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 719' ' ' THR . . . . . . . . . . . . . 77.7 p -68.88 -58.56 3.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.807 0.337 . . . . 0.0 111.122 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 720' ' ' LYS . . . . . 0.416 ' O ' ' CG ' ' A' ' 722' ' ' ASP . 2.2 mtmp? -88.89 -65.72 0.99 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.94 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 721' ' ' GLY . . . . . . . . . . . . . . . -45.93 -23.69 1.13 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.507 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 722' ' ' ASP . . . . . 0.416 ' CG ' ' O ' ' A' ' 720' ' ' LYS . 18.1 m-20 58.22 47.31 14.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.79 0.329 . . . . 0.0 110.87 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 723' ' ' ILE . . . . . 0.405 ' HA ' ' HD2' ' A' ' 724' ' ' PRO . 56.9 mt -98.0 106.83 37.1 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.65 0.738 . . . . 0.0 111.086 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 724' ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' A' ' 723' ' ' ILE . 54.1 Cg_endo -69.78 -16.23 37.36 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.709 2.273 . . . . 0.0 112.34 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 725' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -112.67 44.31 1.5 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.861 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 726' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -62.11 -52.58 63.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.869 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 727' ' ' GLY . . . . . . . . . . . . . . . 167.33 167.78 28.52 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.46 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 728' ' ' THR . . . . . . . . . . . . . 3.6 m -114.64 146.4 40.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.852 0.358 . . . . 0.0 111.155 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 729' ' ' VAL . . . . . 0.471 ' CG1' ' HB3' ' A' ' 714' ' ' ALA . 14.5 p -106.43 137.37 37.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.154 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -107.16 108.19 19.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 731' ' ' TYR . . . . . 0.422 ' CD1' ' C ' ' A' ' 731' ' ' TYR . 7.3 p90 -144.08 170.15 16.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.95 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 732' ' ' TRP . . . . . 0.433 ' CE2' ' HB3' ' A' ' 610' ' ' HIS . 64.5 p-90 -152.38 139.55 19.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.893 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 733' ' ' PHE . . . . . 0.471 ' CD1' ' CD1' ' A' ' 700' ' ' PHE . 10.3 p90 -113.38 161.99 16.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.909 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 734' ' ' ARG . . . . . 0.407 ' C ' ' HD3' ' A' ' 734' ' ' ARG . 0.0 OUTLIER -155.39 136.06 13.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 -179.916 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 735' ' ' LEU . . . . . . . . . . . . . 35.2 tp -138.59 105.25 5.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.938 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 736' ' ' ARG . . . . . . . . . . . . . 40.7 ttt85 -145.8 166.15 26.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 737' ' ' VAL . . . . . 0.581 ' O ' HG13 ' A' ' 737' ' ' VAL . 7.1 p -65.06 108.28 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.151 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 738' ' ' SER . . . . . . . . . . . . . 3.2 t -88.42 29.07 1.01 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.82 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 739' ' ' GLY . . . . . 0.558 ' H ' HG22 ' A' ' 737' ' ' VAL . . . -67.1 145.72 46.8 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.512 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 740' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 143.36 50.55 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.675 2.25 . . . . 0.0 112.324 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 6.6 m -122.9 165.52 16.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.866 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 41.3 m -89.89 87.18 6.85 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.859 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 743' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.485 -179.963 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 588' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 49.1 m 53.18 42.09 32.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.862 0.363 . . . . 0.0 110.833 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 590' ' ' SER . . . . . . . . . . . . . 11.0 m -85.79 96.33 9.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 591' ' ' GLY . . . . . . . . . . . . . . . 122.28 131.57 3.91 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.483 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 2.5 m -115.75 157.96 23.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.879 0.371 . . . . 0.0 110.823 -179.71 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 19.2 m -107.2 -62.19 1.45 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.852 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 594' ' ' GLY . . . . . . . . . . . . . . . 132.79 72.86 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.532 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 595' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -155.62 119.58 4.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.799 0.333 . . . . 0.0 110.883 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 596' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -93.32 89.42 6.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 597' ' ' THR . . . . . . . . . . . . . 81.0 p -127.68 125.71 40.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.089 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 598' ' ' ILE . . . . . . . . . . . . . 36.4 mt -90.01 118.85 36.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.149 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 599' ' ' HIS . . . . . . . . . . . . . 16.0 m80 -46.7 107.12 0.1 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.856 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 600' ' ' LEU . . . . . . . . . . . . . 4.2 mp -64.2 148.97 48.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 601' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -96.46 161.6 13.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 602' ' ' ARG . . . . . 0.406 ' H ' HG21 ' A' ' 737' ' ' VAL . 15.7 mmm180 -98.91 -50.38 4.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.845 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 603' ' ' GLY . . . . . . . . . . . . . . . 163.89 -62.09 0.25 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.53 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 604' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.79 149.07 23.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.872 0.368 . . . . 0.0 110.886 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 605' ' ' ASN . . . . . . . . . . . . . 62.7 m-20 -126.71 155.72 42.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 606' ' ' LEU . . . . . 0.729 HD11 ' OE1' ' A' ' 660' ' ' GLN . 7.9 tp -128.96 107.67 9.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.922 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 607' ' ' PHE . . . . . 0.484 ' CD2' ' CZ ' ' A' ' 637' ' ' PHE . 18.4 t80 -87.87 105.94 17.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.865 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 608' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -96.61 118.01 32.19 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.903 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 609' ' ' ILE . . . . . 0.424 HD11 ' CE1' ' A' ' 637' ' ' PHE . 63.1 mt -112.29 109.72 29.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.127 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 610' ' ' HIS . . . . . 0.547 ' CE1' ' HA ' ' A' ' 656' ' ' ASN . 1.0 OUTLIER -120.29 129.89 54.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 179.855 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 25.7 mm -89.74 127.56 42.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.151 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 612' ' ' ASN . . . . . . . . . . . . . 53.2 m-20 -78.88 -66.06 0.91 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.926 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 613' ' ' LYS . . . . . . . . . . . . . 5.8 ptmt -161.06 178.9 8.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.913 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 614' ' ' VAL . . . . . 0.491 HG23 ' CE1' ' A' ' 655' ' ' TYR . 68.8 t -133.11 123.58 48.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.156 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 615' ' ' THR . . . . . 0.44 HG22 ' N ' ' A' ' 616' ' ' PHE . 25.1 m -97.98 157.25 16.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.073 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 616' ' ' PHE . . . . . 0.51 ' CD1' HG11 ' A' ' 620' ' ' VAL . 63.7 m-85 -133.03 161.3 34.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 617' ' ' SER . . . . . 0.429 ' O ' ' C ' ' A' ' 618' ' ' SER . 1.1 t -108.14 153.92 22.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.856 -179.808 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 618' ' ' SER . . . . . 0.612 ' HA ' HD12 ' A' ' 621' ' ' LEU . 28.9 m -34.39 -62.24 0.35 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.833 -179.811 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 619' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -38.81 -44.89 1.08 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.834 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 620' ' ' VAL . . . . . 0.51 HG11 ' CD1' ' A' ' 616' ' ' PHE . 7.1 t -76.69 -42.77 34.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.141 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 621' ' ' LEU . . . . . 0.612 HD12 ' HA ' ' A' ' 618' ' ' SER . 36.2 mt -54.31 -50.15 68.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.922 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 622' ' ' GLN . . . . . . . . . . . . . 48.2 mm-40 -70.19 -42.52 72.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.902 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -44.01 -45.67 7.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.101 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 71.4 m -57.19 -58.4 8.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.846 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 625' ' ' GLY . . . . . . . . . . . . . . . 104.93 -145.17 15.88 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.467 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 626' ' ' ASP . . . . . . . . . . . . . 39.3 t0 -91.08 41.55 1.07 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.885 0.374 . . . . 0.0 110.883 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 46.4 pttt -145.28 135.07 23.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.863 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 90.6 mt-10 -63.05 119.92 56.58 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.631 0.729 . . . . 0.0 110.826 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 629' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 126.08 12.88 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.655 2.236 . . . . 0.0 112.355 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 630' ' ' VAL . . . . . 0.519 HG12 HG21 ' A' ' 647' ' ' VAL . 23.6 t -117.39 111.64 35.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.101 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 631' ' ' THR . . . . . 0.886 HG22 ' HA ' ' A' ' 684' ' ' GLN . 53.0 p -142.16 164.44 30.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.151 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 632' ' ' PHE . . . . . . . . . . . . . 17.4 p90 -133.36 167.6 20.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.868 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 633' ' ' CYS . . . . . 0.45 ' HB3' HD11 ' A' ' 680' ' ' LEU . 77.8 m -115.46 130.23 56.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.905 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 634' ' ' THR . . . . . . . . . . . . . 11.4 p -123.12 136.82 54.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.102 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 635' ' ' TYR . . . . . 0.77 ' CD2' HD12 ' A' ' 680' ' ' LEU . 6.5 p90 -169.57 147.82 3.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 636' ' ' ALA . . . . . . . . . . . . . . . -105.36 160.15 15.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.077 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 637' ' ' PHE . . . . . 0.484 ' CZ ' ' CD2' ' A' ' 607' ' ' PHE . 4.2 t80 -105.8 156.45 18.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.842 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 638' ' ' TYR . . . . . 0.59 ' O ' ' CD2' ' A' ' 640' ' ' PHE . 3.3 t80 -34.4 100.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.952 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 639' ' ' ASP . . . . . 0.403 ' OD2' ' CE1' ' A' ' 638' ' ' TYR . 2.5 m-20 60.28 54.77 3.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.858 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 640' ' ' PHE . . . . . 0.62 ' HZ ' HG12 ' A' ' 663' ' ' VAL . 80.7 m-85 -144.53 149.65 36.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.856 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.6 149.57 48.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 642' ' ' LEU . . . . . . . . . . . . . 2.5 tp -59.17 136.59 58.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.909 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 643' ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 -116.76 125.76 52.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 644' ' ' THR . . . . . . . . . . . . . 61.0 m -85.25 134.57 34.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.155 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 645' ' ' THR . . . . . . . . . . . . . 37.3 p -91.93 153.57 43.5 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.586 0.708 . . . . 0.0 111.145 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 646' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 108.7 2.15 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.651 2.234 . . . . 0.0 112.333 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 647' ' ' VAL . . . . . 0.633 HG23 ' O ' ' A' ' 631' ' ' THR . 10.9 p -68.81 150.66 10.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.165 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 98.7 t -142.16 142.41 27.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.119 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 649' ' ' ARG . . . . . . . . . . . . . 60.2 mtt180 -84.98 129.3 34.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 650' ' ' GLY . . . . . . . . . . . . . . . 138.9 162.08 9.0 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.465 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 651' ' ' LEU . . . . . 0.471 ' HB3' ' CD2' ' A' ' 652' ' ' HIS . 4.2 mm? -68.06 -67.1 0.49 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.842 0.353 . . . . 0.0 110.918 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 652' ' ' HIS . . . . . 0.471 ' CD2' ' HB3' ' A' ' 651' ' ' LEU . 10.4 m-70 -113.46 64.97 1.08 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.598 0.714 . . . . 0.0 110.824 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 653' ' ' PRO . . . . . 0.417 ' HD3' ' C ' ' A' ' 651' ' ' LEU . 53.8 Cg_endo -69.76 178.06 4.95 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.691 2.261 . . . . 0.0 112.317 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -120.58 108.91 14.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.901 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 655' ' ' TYR . . . . . 0.491 ' CE1' HG23 ' A' ' 614' ' ' VAL . 47.3 m-85 -75.57 -48.49 22.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.952 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 656' ' ' ASN . . . . . 0.547 ' HA ' ' CE1' ' A' ' 610' ' ' HIS . 1.2 p-10 41.95 38.61 1.08 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.889 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 657' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -90.34 135.85 33.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 21.6 m -109.62 136.66 48.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.169 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 90.4 p -150.89 114.21 4.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.871 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 660' ' ' GLN . . . . . 0.729 ' OE1' HD11 ' A' ' 606' ' ' LEU . 3.2 pp0? -137.6 164.74 28.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.907 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 661' ' ' TYR . . . . . . . . . . . . . 92.3 m-85 -154.96 150.97 27.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.91 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 662' ' ' LEU . . . . . 0.401 ' HA ' HD12 ' A' ' 606' ' ' LEU . 0.3 OUTLIER -73.11 107.62 5.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.94 179.951 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 663' ' ' VAL . . . . . 0.62 HG12 ' HZ ' ' A' ' 640' ' ' PHE . 16.2 m -125.24 116.09 45.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.126 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 664' ' ' HIS . . . . . 0.695 ' O ' HG13 ' A' ' 665' ' ' VAL . 6.2 t-80 -103.02 104.74 14.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.877 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 665' ' ' VAL . . . . . 0.787 HG23 ' HD2' ' A' ' 669' ' ' PHE . 0.2 OUTLIER -165.88 144.13 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.151 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 666' ' ' ASN . . . . . . . . . . . . . 10.6 t30 -113.39 -67.4 1.0 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.845 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 667' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -75.57 -56.0 5.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.833 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -50.77 -28.76 9.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.876 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 669' ' ' PHE . . . . . 0.787 ' HD2' HG23 ' A' ' 665' ' ' VAL . 3.6 t80 -59.85 -66.83 0.45 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 670' ' ' LEU . . . . . 0.501 HD22 ' HA ' ' A' ' 704' ' ' LEU . 51.1 mt -61.63 -47.08 87.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.919 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 671' ' ' GLN . . . . . . . . . . . . . 63.2 mt-30 -47.95 -48.91 31.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.921 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 672' ' ' TYR . . . . . 0.41 ' CD1' ' C ' ' A' ' 672' ' ' TYR . 0.5 OUTLIER -58.82 -29.62 67.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 -179.87 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 673' ' ' ILE . . . . . 0.621 HD13 HG21 ' A' ' 703' ' ' ILE . 63.5 mt -77.1 -56.5 7.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.118 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 674' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -61.69 -34.61 76.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 675' ' ' LYS . . . . . . . . . . . . . 28.7 mtpp -78.11 -67.01 0.77 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.854 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 676' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -109.17 164.31 12.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.894 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 25.1 p -129.79 172.31 11.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.125 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 678' ' ' ILE . . . . . . . . . . . . . 5.2 mp -91.17 139.65 17.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.139 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 22.6 m -111.26 94.29 4.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.183 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 680' ' ' LEU . . . . . 0.905 HD13 HD11 ' A' ' 698' ' ' LEU . 6.7 tt -102.9 106.19 16.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 681' ' ' GLU . . . . . 0.562 ' CD ' ' HB1' ' A' ' 695' ' ' ALA . 2.1 mm-40 -98.19 148.01 24.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 682' ' ' VAL . . . . . . . . . . . . . 87.1 t -115.01 104.76 17.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.128 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 683' ' ' HIS . . . . . 0.603 ' N ' ' CD2' ' A' ' 683' ' ' HIS . 0.2 OUTLIER -94.85 149.81 20.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 179.926 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 684' ' ' GLN . . . . . 0.886 ' HA ' HG22 ' A' ' 631' ' ' THR . 4.6 tt0 -90.27 129.56 36.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.895 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -87.8 103.91 16.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.109 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 686' ' ' TYR . . . . . 0.448 ' CZ ' ' HB3' ' A' ' 684' ' ' GLN . 30.6 m-85 -91.92 167.35 12.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 687' ' ' SER . . . . . . . . . . . . . 2.7 m -53.93 -58.41 7.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.891 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 688' ' ' THR . . . . . . . . . . . . . 77.3 p -130.22 29.53 4.88 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.123 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 689' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -141.84 160.12 40.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.917 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 690' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -151.03 116.26 5.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.952 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 691' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -149.48 155.17 39.95 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.871 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 692' ' ' THR . . . . . . . . . . . . . 36.6 m -90.41 114.48 26.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.157 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 693' ' ' ILE . . . . . . . . . . . . . 14.6 pt -94.12 -28.11 4.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.118 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -134.75 155.02 51.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.106 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 695' ' ' ALA . . . . . 0.562 ' HB1' ' CD ' ' A' ' 681' ' ' GLU . . . -157.28 126.55 5.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.129 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 696' ' ' CYS . . . . . 0.493 ' N ' ' OE1' ' A' ' 681' ' ' GLU . 31.3 p -139.79 -177.38 4.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.853 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 697' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -136.06 125.66 25.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.929 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 698' ' ' LEU . . . . . 0.905 HD11 HD13 ' A' ' 680' ' ' LEU . 46.7 mt -84.18 128.87 34.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 699' ' ' LYS . . . . . . . . . . . . . 8.9 ptpt -148.08 138.07 22.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 700' ' ' PHE . . . . . 0.479 ' CD1' ' N ' ' A' ' 700' ' ' PHE . 0.2 OUTLIER -110.2 125.35 52.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.849 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 701' ' ' HIS . . . . . . . . . . . . . 36.0 m-70 -90.57 -57.74 2.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.853 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 702' ' ' GLU . . . . . 0.484 ' HB2' HG21 ' A' ' 710' ' ' ILE . 45.2 mt-10 -50.81 -35.02 30.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.903 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 703' ' ' ILE . . . . . 0.621 HG21 HD13 ' A' ' 673' ' ' ILE . 10.1 tt -47.32 -19.09 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.155 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 704' ' ' LEU . . . . . 0.621 HD22 HG23 ' A' ' 703' ' ' ILE . 2.5 mm? -79.13 -47.92 15.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 705' ' ' GLU . . . . . 0.478 ' HG3' ' N ' ' A' ' 706' ' ' LYS . 22.6 pt-20 -80.07 -47.0 15.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 706' ' ' LYS . . . . . 0.478 ' N ' ' HG3' ' A' ' 705' ' ' GLU . 6.6 ptpt -119.63 153.94 34.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 707' ' ' SER . . . . . . . . . . . . . 67.7 m -134.09 94.68 3.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.851 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 708' ' ' GLY . . . . . . . . . . . . . . . 160.28 -136.74 4.67 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.491 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 709' ' ' ARG . . . . . 0.414 ' C ' HG13 ' A' ' 710' ' ' ILE . 16.9 mtm180 -55.88 91.03 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.796 0.331 . . . . 0.0 110.884 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 710' ' ' ILE . . . . . 0.484 HG21 ' HB2' ' A' ' 702' ' ' GLU . 7.6 mt -137.58 139.51 43.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.118 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 711' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 -105.04 149.76 25.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.908 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 712' ' ' CYS . . . . . . . . . . . . . 16.7 m -159.49 169.66 23.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.87 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 713' ' ' THR . . . . . . . . . . . . . 12.6 p -148.63 163.91 35.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.148 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 714' ' ' ALA . . . . . 0.562 ' HB3' ' CG1' ' A' ' 729' ' ' VAL . . . -141.52 141.19 33.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.08 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 715' ' ' SER . . . . . . . . . . . . . 23.5 p -91.72 148.79 21.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 716' ' ' LEU . . . . . . . . . . . . . 21.1 mt -110.42 141.05 44.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.925 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 717' ' ' ILE . . . . . . . . . . . . . 5.1 mp -124.21 145.57 31.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.166 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 718' ' ' GLY . . . . . . . . . . . . . . . -83.51 129.1 8.91 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.515 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 719' ' ' THR . . . . . . . . . . . . . 46.7 p -59.24 -61.85 2.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.863 0.363 . . . . 0.0 111.111 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 720' ' ' LYS . . . . . . . . . . . . . 28.5 mttm -86.6 -56.5 3.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.919 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 721' ' ' GLY . . . . . . . . . . . . . . . -48.98 -19.59 1.53 Allowed Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.491 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 722' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 53.67 37.32 25.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.86 0.362 . . . . 0.0 110.919 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 723' ' ' ILE . . . . . . . . . . . . . 44.3 mt -93.16 113.68 60.64 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.633 0.73 . . . . 0.0 111.117 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 724' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -29.88 23.26 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.742 2.295 . . . . 0.0 112.317 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 725' ' ' ASN . . . . . . . . . . . . . 20.7 m-20 -99.59 38.29 1.46 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.894 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 726' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -46.74 -49.8 19.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.893 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 727' ' ' GLY . . . . . . . . . . . . . . . 176.37 -144.95 7.23 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.511 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 728' ' ' THR . . . . . . . . . . . . . 48.4 m -160.91 151.72 18.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.832 0.348 . . . . 0.0 111.147 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 729' ' ' VAL . . . . . 0.562 ' CG1' ' HB3' ' A' ' 714' ' ' ALA . 12.3 p -119.2 125.33 74.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.148 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -103.62 121.72 43.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.883 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 731' ' ' TYR . . . . . . . . . . . . . 51.1 p90 -157.03 164.65 37.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.881 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 732' ' ' TRP . . . . . . . . . . . . . 42.0 p-90 -126.3 158.15 36.54 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.958 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 733' ' ' PHE . . . . . 0.455 ' CD1' ' N ' ' A' ' 733' ' ' PHE . 1.1 p90 -146.97 127.55 14.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.897 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 734' ' ' ARG . . . . . . . . . . . . . 20.5 ttp180 -136.19 112.86 10.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.913 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 735' ' ' LEU . . . . . . . . . . . . . 12.8 tp -101.43 111.41 23.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.947 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 736' ' ' ARG . . . . . . . . . . . . . 50.2 mtt180 -145.04 161.15 40.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.837 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 737' ' ' VAL . . . . . 0.406 HG21 ' H ' ' A' ' 602' ' ' ARG . 14.6 p -52.43 145.68 2.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.151 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 738' ' ' SER . . . . . . . . . . . . . 35.9 t -126.35 157.52 38.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.912 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 739' ' ' GLY . . . . . . . . . . . . . . . -75.71 161.24 52.37 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.474 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 740' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 115.94 4.33 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.695 2.263 . . . . 0.0 112.34 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 8.0 t 44.59 43.26 6.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.846 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 7.4 t -88.36 115.9 26.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 743' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.474 -179.979 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 588' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 22.9 p -140.15 152.88 46.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.868 0.366 . . . . 0.0 110.88 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 590' ' ' SER . . . . . . . . . . . . . 4.2 t -99.7 -59.26 1.75 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.889 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 591' ' ' GLY . . . . . . . . . . . . . . . 152.25 -169.67 31.5 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.449 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 15.7 m -100.04 117.94 35.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.893 0.377 . . . . 0.0 110.865 -179.726 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 58.3 m -84.86 140.15 31.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.831 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 594' ' ' GLY . . . . . . . . . . . . . . . -109.53 97.19 1.02 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.499 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 595' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -130.63 140.87 50.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.752 0.311 . . . . 0.0 110.886 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 596' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -131.56 88.02 2.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.825 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 597' ' ' THR . . . . . . . . . . . . . 31.5 p -119.33 121.41 39.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.147 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 598' ' ' ILE . . . . . . . . . . . . . 38.6 mt -70.85 -59.6 3.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.17 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 599' ' ' HIS . . . . . . . . . . . . . 44.4 m-70 -92.73 123.92 36.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.8 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 600' ' ' LEU . . . . . 0.41 HD22 ' N ' ' A' ' 600' ' ' LEU . 2.7 mm? -91.41 177.37 6.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 601' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -93.03 166.44 12.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.882 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 602' ' ' ARG . . . . . . . . . . . . . 38.9 mtp180 -104.73 141.95 35.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.892 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 603' ' ' GLY . . . . . . . . . . . . . . . 150.85 -123.46 1.53 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.485 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 604' ' ' GLU . . . . . 0.749 ' HG2' HD11 ' A' ' 662' ' ' LEU . 4.8 mt-10 -78.57 145.76 34.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.867 0.365 . . . . 0.0 110.854 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 605' ' ' ASN . . . . . 0.47 ' O ' HG23 ' A' ' 663' ' ' VAL . 7.7 m-80 -129.34 128.51 43.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.851 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 606' ' ' LEU . . . . . . . . . . . . . 18.2 tp -110.84 115.36 29.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.931 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 607' ' ' PHE . . . . . 0.499 ' HD1' HD13 ' A' ' 735' ' ' LEU . 10.3 t80 -106.13 103.69 13.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 608' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -107.35 126.41 52.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 609' ' ' ILE . . . . . . . . . . . . . 20.8 mt -116.21 120.04 63.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.124 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 610' ' ' HIS . . . . . 0.561 ' CE1' ' HA ' ' A' ' 656' ' ' ASN . 1.8 t60 -121.82 131.04 53.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.842 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 30.9 mm -101.98 111.39 31.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.101 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 612' ' ' ASN . . . . . . . . . . . . . 15.3 t-20 -66.09 -67.14 0.47 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.949 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 613' ' ' LYS . . . . . . . . . . . . . 21.1 pttt -170.23 170.95 7.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.893 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 614' ' ' VAL . . . . . . . . . . . . . 14.6 t -113.6 134.65 55.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.138 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 615' ' ' THR . . . . . . . . . . . . . 8.6 m -102.3 125.52 49.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.177 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 616' ' ' PHE . . . . . 0.517 ' CD2' HG21 ' A' ' 620' ' ' VAL . 3.8 m-30 -99.03 139.43 34.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 617' ' ' SER . . . . . 0.431 ' O ' HG22 ' A' ' 620' ' ' VAL . 1.2 t -90.36 153.46 20.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.869 -179.801 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 618' ' ' SER . . . . . . . . . . . . . 36.8 p -38.15 -38.93 0.37 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.863 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 619' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -41.64 -66.86 0.3 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.886 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 620' ' ' VAL . . . . . 0.517 HG21 ' CD2' ' A' ' 616' ' ' PHE . 22.0 m -64.13 -38.92 83.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.15 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 621' ' ' LEU . . . . . 0.41 ' CD2' ' CD2' ' A' ' 651' ' ' LEU . 18.5 mt -49.3 -46.52 46.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.941 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 622' ' ' GLN . . . . . . . . . . . . . 70.3 mt-30 -73.03 -63.94 1.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.919 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -43.32 -37.44 2.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.127 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 1.2 t -78.74 -62.68 1.62 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.868 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 625' ' ' GLY . . . . . . . . . . . . . . . 110.02 -155.33 16.15 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.501 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 626' ' ' ASP . . . . . 0.41 ' CG ' ' O ' ' A' ' 626' ' ' ASP . 20.6 t0 -86.81 44.72 1.19 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.93 0.395 . . . . 0.0 110.882 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 15.1 ptmt -119.17 161.83 19.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -113.58 89.11 14.67 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.61 0.719 . . . . 0.0 110.938 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 629' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 124.6 11.27 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.647 2.231 . . . . 0.0 112.341 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 630' ' ' VAL . . . . . 0.699 HG22 ' CB ' ' A' ' 649' ' ' ARG . 4.5 t -90.26 124.07 42.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.14 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 631' ' ' THR . . . . . 0.424 HG22 ' HG3' ' A' ' 684' ' ' GLN . 11.0 p -136.41 160.18 39.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.173 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 632' ' ' PHE . . . . . . . . . . . . . 49.1 p90 -140.04 142.04 36.23 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 633' ' ' CYS . . . . . . . . . . . . . 88.6 m -93.92 148.68 21.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 634' ' ' THR . . . . . . . . . . . . . 12.9 p -147.53 131.22 16.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.144 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 635' ' ' TYR . . . . . 0.633 ' CD1' HD12 ' A' ' 680' ' ' LEU . 16.7 p90 -170.46 173.46 5.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.961 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 636' ' ' ALA . . . . . . . . . . . . . . . -134.07 155.88 49.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.12 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 637' ' ' PHE . . . . . 0.498 ' CZ ' ' HB2' ' A' ' 638' ' ' TYR . 3.4 t80 -120.14 150.24 40.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.885 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 638' ' ' TYR . . . . . 0.498 ' HB2' ' CZ ' ' A' ' 637' ' ' PHE . 12.9 t80 36.49 38.37 0.07 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 639' ' ' ASP . . . . . . . . . . . . . 55.4 m-20 54.0 47.14 24.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.87 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 640' ' ' PHE . . . . . 0.428 ' CD2' ' HB3' ' A' ' 638' ' ' TYR . 11.1 m-85 -104.67 179.82 4.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -49.92 128.02 17.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.863 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 642' ' ' LEU . . . . . 0.533 HD13 ' C ' ' A' ' 642' ' ' LEU . 1.2 tm? -54.14 112.42 0.97 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.924 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 643' ' ' GLN . . . . . 0.488 ' N ' HD13 ' A' ' 642' ' ' LEU . 17.6 mm-40 -85.5 117.34 24.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 644' ' ' THR . . . . . . . . . . . . . 53.2 m -102.46 133.32 47.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.153 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 645' ' ' THR . . . . . . . . . . . . . 18.9 p -91.68 154.77 44.02 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.598 0.713 . . . . 0.0 111.116 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 646' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 141.42 45.51 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.715 2.277 . . . . 0.0 112.328 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 647' ' ' VAL . . . . . . . . . . . . . 43.5 t -68.84 131.27 33.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.145 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 648' ' ' VAL . . . . . 0.526 ' C ' HG13 ' A' ' 630' ' ' VAL . 21.5 t -140.31 132.58 32.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.147 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 649' ' ' ARG . . . . . 0.699 ' CB ' HG22 ' A' ' 630' ' ' VAL . 8.7 ptm180 -89.31 143.51 26.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 650' ' ' GLY . . . . . . . . . . . . . . . 125.56 155.0 8.88 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.498 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 651' ' ' LEU . . . . . 0.452 ' C ' ' HD3' ' A' ' 653' ' ' PRO . 6.3 mp -71.22 -46.46 61.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.846 0.355 . . . . 0.0 110.889 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 652' ' ' HIS . . . . . . . . . . . . . 15.1 m-70 -110.15 67.55 0.48 Allowed Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.567 0.698 . . . . 0.0 110.862 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 653' ' ' PRO . . . . . 0.452 ' HD3' ' C ' ' A' ' 651' ' ' LEU . 53.5 Cg_endo -69.7 124.03 10.7 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.722 2.281 . . . . 0.0 112.333 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -87.22 83.92 7.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.898 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 655' ' ' TYR . . . . . . . . . . . . . 86.1 m-85 -57.9 -53.95 52.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.958 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 656' ' ' ASN . . . . . 0.561 ' HA ' ' CE1' ' A' ' 610' ' ' HIS . 14.2 m120 46.89 43.49 13.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.853 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 657' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -99.95 108.08 20.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.859 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 19.4 m -90.38 142.83 27.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.15 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 8.0 t -131.47 145.68 51.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -131.31 130.92 43.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.865 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 661' ' ' TYR . . . . . . . . . . . . . 31.3 m-85 -151.37 122.0 7.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 662' ' ' LEU . . . . . 0.749 HD11 ' HG2' ' A' ' 604' ' ' GLU . 1.1 tm? -74.75 116.13 15.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.916 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 663' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 605' ' ' ASN . 1.2 m -123.89 117.42 50.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.151 179.818 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 664' ' ' HIS . . . . . . . . . . . . . 11.0 p-80 -94.84 103.6 15.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.884 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 665' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -142.38 166.05 16.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.16 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 666' ' ' ASN . . . . . 0.44 ' O ' ' C ' ' A' ' 667' ' ' ASP . 2.0 m-80 -109.97 -174.97 2.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 667' ' ' ASP . . . . . 0.44 ' C ' ' O ' ' A' ' 666' ' ' ASN . 1.3 m-20 -34.02 -40.28 0.08 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.852 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 668' ' ' LEU . . . . . 0.43 ' O ' ' N ' ' A' ' 671' ' ' GLN . 4.6 mm? -36.59 -52.85 0.88 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 669' ' ' PHE . . . . . 0.487 ' HE1' HD11 ' A' ' 673' ' ' ILE . 10.7 t80 -36.14 -48.2 0.6 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.858 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 670' ' ' LEU . . . . . . . . . . . . . 44.8 mt -59.02 -45.87 89.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 671' ' ' GLN . . . . . 0.43 ' N ' ' O ' ' A' ' 668' ' ' LEU . 15.4 mt-30 -58.4 -40.24 81.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.879 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 672' ' ' TYR . . . . . 0.459 ' CD1' ' C ' ' A' ' 672' ' ' TYR . 0.3 OUTLIER -55.82 -44.55 77.99 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.911 -179.824 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 673' ' ' ILE . . . . . 0.676 HD13 HG21 ' A' ' 703' ' ' ILE . 85.6 mt -56.66 -29.12 28.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.134 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 674' ' ' GLN . . . . . 0.615 ' HG2' HD21 ' A' ' 704' ' ' LEU . 5.4 mm-40 -77.22 -61.39 2.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.945 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 675' ' ' LYS . . . . . . . . . . . . . 17.3 mtpp -63.12 -58.44 7.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.911 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 676' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -103.53 158.68 16.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.858 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 20.2 p -139.37 171.63 13.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.118 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 678' ' ' ILE . . . . . 0.427 ' O ' ' N ' ' A' ' 698' ' ' LEU . 15.4 mt -87.46 124.66 40.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.178 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 28.5 m -101.93 101.22 11.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.126 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 680' ' ' LEU . . . . . 0.843 ' O ' HD23 ' A' ' 680' ' ' LEU . 3.2 tt -113.83 105.28 13.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 681' ' ' GLU . . . . . . . . . . . . . 28.0 mp0 -94.24 145.2 24.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.869 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 682' ' ' VAL . . . . . . . . . . . . . 71.3 t -98.35 98.79 7.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.129 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 683' ' ' HIS . . . . . 0.429 ' CD2' ' N ' ' A' ' 683' ' ' HIS . 4.2 m170 -87.74 124.26 33.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 684' ' ' GLN . . . . . 0.508 ' OE1' HD13 ' A' ' 693' ' ' ILE . 43.7 tt0 -91.03 148.31 22.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.945 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -123.13 128.18 49.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.11 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 686' ' ' TYR . . . . . 0.433 ' CD2' ' O ' ' A' ' 689' ' ' GLU . 0.6 OUTLIER -94.65 168.44 10.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 -179.833 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 687' ' ' SER . . . . . . . . . . . . . 89.0 p -59.41 -10.73 3.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.858 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 688' ' ' THR . . . . . . . . . . . . . 24.6 p -114.31 -74.23 0.63 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.193 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 689' ' ' GLU . . . . . 0.433 ' O ' ' CD2' ' A' ' 686' ' ' TYR . 3.9 pt-20 -119.74 -178.93 3.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.918 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 690' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -135.22 139.61 44.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.928 -179.854 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 691' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -149.69 155.22 39.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 692' ' ' THR . . . . . . . . . . . . . 19.2 m -67.11 134.37 51.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.157 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 693' ' ' ILE . . . . . 0.508 HD13 ' OE1' ' A' ' 684' ' ' GLN . 5.9 pt -126.33 -25.48 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.133 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -139.01 155.03 48.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.124 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 695' ' ' ALA . . . . . . . . . . . . . . . -152.63 125.71 8.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.095 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 696' ' ' CYS . . . . . . . . . . . . . 14.6 p -144.65 171.24 14.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 697' ' ' GLN . . . . . 0.503 ' N ' ' CD ' ' A' ' 697' ' ' GLN . 0.0 OUTLIER -128.18 128.26 44.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 -179.88 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 698' ' ' LEU . . . . . 0.578 HD11 HD13 ' A' ' 680' ' ' LEU . 35.8 mt -90.74 119.25 30.81 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.9 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 699' ' ' LYS . . . . . . . . . . . . . 9.3 ptpt -134.76 133.07 39.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.943 179.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 700' ' ' PHE . . . . . 0.785 ' CD1' ' CD1' ' A' ' 733' ' ' PHE . 2.9 m-85 -99.17 125.92 44.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 701' ' ' HIS . . . . . . . . . . . . . 6.9 m80 -88.32 -52.76 5.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.827 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 702' ' ' GLU . . . . . 0.532 ' HB2' HG21 ' A' ' 710' ' ' ILE . 2.8 mp0 -50.4 -38.75 44.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 703' ' ' ILE . . . . . 0.688 HD12 ' CE2' ' A' ' 733' ' ' PHE . 8.5 tt -47.95 -18.92 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.146 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 704' ' ' LEU . . . . . 0.615 HD21 ' HG2' ' A' ' 674' ' ' GLN . 13.7 mt -71.09 -42.08 69.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 705' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -104.45 -48.25 3.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 706' ' ' LYS . . . . . . . . . . . . . 58.3 mttp -83.49 173.57 11.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 707' ' ' SER . . . . . . . . . . . . . 20.2 m -157.89 108.14 2.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.868 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 708' ' ' GLY . . . . . . . . . . . . . . . 140.96 -149.9 21.36 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.521 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 709' ' ' ARG . . . . . . . . . . . . . 21.2 mtp180 -63.74 98.05 0.18 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.778 0.323 . . . . 0.0 110.85 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 710' ' ' ILE . . . . . 0.532 HG21 ' HB2' ' A' ' 702' ' ' GLU . 30.6 mt -124.63 111.5 28.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.108 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 711' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -75.43 134.06 40.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 712' ' ' CYS . . . . . . . . . . . . . 86.5 m -150.38 178.51 8.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.875 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 713' ' ' THR . . . . . . . . . . . . . 34.1 p -150.72 169.31 21.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.128 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 714' ' ' ALA . . . . . . . . . . . . . . . -141.65 155.5 45.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.114 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 715' ' ' SER . . . . . . . . . . . . . 78.0 p -92.43 152.4 19.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 716' ' ' LEU . . . . . 0.558 ' C ' HD12 ' A' ' 717' ' ' ILE . 14.0 mt -116.24 143.85 44.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.956 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 717' ' ' ILE . . . . . 0.558 HD12 ' C ' ' A' ' 716' ' ' LEU . 4.5 mp -134.83 143.57 37.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.1 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 718' ' ' GLY . . . . . . . . . . . . . . . -82.41 147.74 25.9 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.493 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 719' ' ' THR . . . . . . . . . . . . . 44.3 p -78.92 -47.31 16.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.8 0.334 . . . . 0.0 111.106 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 720' ' ' LYS . . . . . . . . . . . . . 19.8 mttm -93.86 -55.76 3.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.902 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 721' ' ' GLY . . . . . . . . . . . . . . . -64.6 -7.84 29.73 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.491 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 722' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 40.38 41.11 0.97 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.778 0.323 . . . . 0.0 110.847 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 723' ' ' ILE . . . . . . . . . . . . . 81.6 mt -87.63 113.11 52.81 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.609 0.718 . . . . 0.0 111.158 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 724' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 -45.29 1.64 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.703 2.269 . . . . 0.0 112.294 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 725' ' ' ASN . . . . . . . . . . . . . 43.2 m-20 -83.64 43.11 0.88 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.846 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 726' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -62.19 -44.52 96.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.868 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 727' ' ' GLY . . . . . . . . . . . . . . . 159.63 176.27 31.51 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.483 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 728' ' ' THR . . . . . . . . . . . . . 2.4 m -122.99 145.56 48.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.842 0.353 . . . . 0.0 111.135 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 729' ' ' VAL . . . . . . . . . . . . . 11.6 p -104.25 147.39 10.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.132 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -113.74 133.03 55.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.929 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 731' ' ' TYR . . . . . 0.482 ' CE2' HD22 ' A' ' 698' ' ' LEU . 31.1 p90 -164.88 174.16 10.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.935 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 732' ' ' TRP . . . . . 0.498 ' HE1' ' CD2' ' A' ' 610' ' ' HIS . 69.6 p-90 -151.29 121.52 7.26 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.909 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 733' ' ' PHE . . . . . 0.785 ' CD1' ' CD1' ' A' ' 700' ' ' PHE . 25.7 p90 -102.49 145.07 30.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.857 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 734' ' ' ARG . . . . . . . . . . . . . 7.3 tmm_? -137.38 115.25 11.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.884 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 735' ' ' LEU . . . . . 0.499 HD13 ' HD1' ' A' ' 607' ' ' PHE . 46.4 tp -117.14 106.96 13.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.943 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 736' ' ' ARG . . . . . 0.47 ' HD2' ' N ' ' A' ' 737' ' ' VAL . 2.2 tmm_? -149.38 146.33 27.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 737' ' ' VAL . . . . . 0.47 ' N ' ' HD2' ' A' ' 736' ' ' ARG . 11.8 p -52.15 133.05 14.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.117 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 738' ' ' SER . . . . . . . . . . . . . 2.6 p -88.86 140.9 28.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.814 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 739' ' ' GLY . . . . . . . . . . . . . . . 118.9 124.42 3.31 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.459 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 740' ' ' PRO . . . . . 0.448 ' O ' ' C ' ' A' ' 741' ' ' SER . 54.4 Cg_endo -69.78 2.8 3.21 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.68 2.253 . . . . 0.0 112.355 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 741' ' ' SER . . . . . 0.448 ' C ' ' O ' ' A' ' 740' ' ' PRO . 36.4 p -33.96 135.54 0.14 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 27.2 t -93.15 -56.73 2.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.838 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 743' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.532 -179.997 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 588' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 1.2 t 57.2 47.78 16.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.896 0.379 . . . . 0.0 110.842 -179.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 590' ' ' SER . . . . . . . . . . . . . 1.9 m -114.48 113.87 25.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.875 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 591' ' ' GLY . . . . . . . . . . . . . . . 46.66 86.86 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.475 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 73.4 m -163.26 141.42 7.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.919 0.39 . . . . 0.0 110.882 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 8.0 t -86.34 -62.22 1.56 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.823 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 594' ' ' GLY . . . . . . . . . . . . . . . -72.04 102.15 1.12 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.463 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 595' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -143.8 121.13 11.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.764 0.316 . . . . 0.0 110.856 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 596' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -116.5 114.18 23.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.866 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 597' ' ' THR . . . . . . . . . . . . . 44.8 p -68.17 110.57 4.06 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.155 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 598' ' ' ILE . . . . . 0.587 ' O ' ' CD2' ' A' ' 599' ' ' HIS . 4.1 mm -101.76 139.91 21.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.15 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 599' ' ' HIS . . . . . 0.587 ' CD2' ' O ' ' A' ' 598' ' ' ILE . 12.1 p80 41.07 54.7 3.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.839 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 600' ' ' LEU . . . . . 0.419 ' C ' ' O ' ' A' ' 599' ' ' HIS . 15.3 mt -36.76 129.21 0.82 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 601' ' ' GLU . . . . . 0.62 ' OE1' HG11 ' A' ' 737' ' ' VAL . 14.6 mt-10 -46.12 169.03 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 602' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.7 165.8 19.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.882 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 603' ' ' GLY . . . . . . . . . . . . . . . 125.05 -84.02 0.35 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.488 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 604' ' ' GLU . . . . . 0.78 ' HB2' HD11 ' A' ' 662' ' ' LEU . 0.6 OUTLIER -150.76 137.93 19.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.853 0.358 . . . . 0.0 110.882 -179.867 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 605' ' ' ASN . . . . . . . . . . . . . 26.0 m120 -117.78 148.45 42.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.901 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 606' ' ' LEU . . . . . 0.442 HD12 ' O ' ' A' ' 661' ' ' TYR . 26.4 tp -118.16 126.03 51.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 607' ' ' PHE . . . . . 0.447 ' CD2' ' HB2' ' A' ' 735' ' ' LEU . 0.5 OUTLIER -122.87 119.76 31.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.839 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 608' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -129.68 127.69 41.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.913 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 609' ' ' ILE . . . . . . . . . . . . . 57.1 mt -117.01 122.29 69.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.147 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 610' ' ' HIS . . . . . 0.576 ' HB2' HG23 ' A' ' 658' ' ' THR . 1.1 t60 -114.63 147.63 39.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 179.846 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 611' ' ' ILE . . . . . 0.429 ' N ' ' ND1' ' A' ' 610' ' ' HIS . 12.4 mm -114.29 105.2 18.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.126 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 612' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 -59.84 -67.64 0.36 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 613' ' ' LYS . . . . . . . . . . . . . 36.0 pttt -166.51 170.99 12.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 614' ' ' VAL . . . . . . . . . . . . . 9.4 p -119.69 127.36 75.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.144 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 615' ' ' THR . . . . . . . . . . . . . 89.7 m -105.2 143.83 32.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.163 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 616' ' ' PHE . . . . . 0.743 ' CD1' HG11 ' A' ' 620' ' ' VAL . 87.6 m-85 -117.06 165.35 13.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.842 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -101.28 165.27 11.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.874 -179.84 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 618' ' ' SER . . . . . 0.489 ' HA ' HD12 ' A' ' 621' ' ' LEU . 52.1 m -44.51 -62.96 1.0 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.865 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 619' ' ' GLU . . . . . 0.744 ' OE1' HD13 ' A' ' 723' ' ' ILE . 1.6 pp20? -38.3 -52.63 1.51 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.911 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 620' ' ' VAL . . . . . 0.743 HG11 ' CD1' ' A' ' 616' ' ' PHE . 4.1 t -58.86 -51.16 75.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.112 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 621' ' ' LEU . . . . . 0.489 HD12 ' HA ' ' A' ' 618' ' ' SER . 24.5 mt -54.22 -67.42 0.26 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 622' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -52.62 -41.51 63.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.891 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 623' ' ' ALA . . . . . 0.434 ' HB2' ' O ' ' A' ' 619' ' ' GLU . . . -50.54 -23.44 2.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.139 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 25.1 p -93.73 -39.46 10.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 625' ' ' GLY . . . . . . . . . . . . . . . 111.48 -149.47 18.0 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.483 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 626' ' ' ASP . . . . . . . . . . . . . 49.6 m-20 -91.88 44.97 1.19 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.841 0.353 . . . . 0.0 110.867 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 9.3 ptpp? -142.11 -176.44 4.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.922 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 628' ' ' GLU . . . . . 0.407 ' O ' ' CG ' ' A' ' 628' ' ' GLU . 4.6 pt-20 -128.6 104.12 19.37 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.624 0.726 . . . . 0.0 110.9 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 629' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 142.63 48.61 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.683 2.255 . . . . 0.0 112.398 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 630' ' ' VAL . . . . . 0.78 HG13 ' O ' ' A' ' 648' ' ' VAL . 21.4 t -94.86 130.23 43.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.081 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 631' ' ' THR . . . . . . . . . . . . . 1.2 p -150.05 162.07 41.12 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.079 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 632' ' ' PHE . . . . . 0.635 ' CZ ' ' NE2' ' A' ' 683' ' ' HIS . 2.2 p90 -146.34 158.27 43.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 633' ' ' CYS . . . . . 0.42 ' SG ' HD21 ' A' ' 680' ' ' LEU . 1.8 m -90.58 155.46 18.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 634' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -149.42 123.97 9.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.096 -179.832 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 635' ' ' TYR . . . . . 0.562 ' CD1' HD12 ' A' ' 680' ' ' LEU . 48.3 p90 -168.85 154.96 6.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.943 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 636' ' ' ALA . . . . . . . . . . . . . . . -102.81 154.93 18.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.069 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 637' ' ' PHE . . . . . 0.488 ' O ' ' C ' ' A' ' 638' ' ' TYR . 11.2 t80 -105.99 156.97 17.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 638' ' ' TYR . . . . . 0.601 ' O ' ' CD2' ' A' ' 640' ' ' PHE . 67.3 t80 -30.76 102.71 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.911 -179.809 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 639' ' ' ASP . . . . . . . . . . . . . 34.8 t70 54.95 54.96 8.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.844 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 640' ' ' PHE . . . . . 0.601 ' CD2' ' O ' ' A' ' 638' ' ' TYR . 60.7 m-85 -143.24 148.56 36.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.881 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -64.32 147.75 51.83 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.915 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 642' ' ' LEU . . . . . 0.414 HD13 ' N ' ' A' ' 643' ' ' GLN . 0.6 OUTLIER -50.79 111.39 0.54 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.926 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 643' ' ' GLN . . . . . 0.414 ' N ' HD13 ' A' ' 642' ' ' LEU . 3.5 tp60 -84.98 118.17 24.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.938 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 644' ' ' THR . . . . . . . . . . . . . 3.3 m -94.32 117.66 30.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.125 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 645' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -71.85 159.78 84.49 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.552 0.691 . . . . 0.0 111.157 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 646' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 126.1 12.92 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.655 2.237 . . . . 0.0 112.349 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 647' ' ' VAL . . . . . . . . . . . . . 39.0 t -73.41 133.44 31.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.081 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 648' ' ' VAL . . . . . 0.78 ' O ' HG13 ' A' ' 630' ' ' VAL . 48.1 t -137.31 156.13 32.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.152 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 649' ' ' ARG . . . . . 0.469 ' N ' HG12 ' A' ' 648' ' ' VAL . 20.2 mtt180 -96.72 123.99 40.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 650' ' ' GLY . . . . . . . . . . . . . . . 147.05 -169.51 28.09 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.473 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 651' ' ' LEU . . . . . 0.425 HD22 HD23 ' A' ' 621' ' ' LEU . 8.5 mt -115.2 -46.47 2.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.856 0.36 . . . . 0.0 110.973 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 652' ' ' HIS . . . . . . . . . . . . . 7.9 m170 -118.13 57.29 2.68 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.593 0.711 . . . . 0.0 110.882 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 653' ' ' PRO . . . . . 0.41 ' HD3' ' C ' ' A' ' 651' ' ' LEU . 54.2 Cg_endo -69.74 178.72 4.28 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.66 2.24 . . . . 0.0 112.353 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 654' ' ' GLU . . . . . 0.428 ' O ' ' C ' ' A' ' 655' ' ' TYR . 35.0 mt-10 -128.73 72.08 1.44 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 655' ' ' TYR . . . . . 0.428 ' C ' ' O ' ' A' ' 654' ' ' GLU . 85.0 m-85 -35.65 -46.81 0.44 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.927 -179.847 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 10.6 m-20 56.78 44.03 24.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.886 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 657' ' ' PHE . . . . . . . . . . . . . 16.6 t80 -97.7 109.42 22.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 658' ' ' THR . . . . . 0.576 HG23 ' HB2' ' A' ' 610' ' ' HIS . 1.8 m -124.01 94.89 4.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.168 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 1.9 m -97.22 152.6 18.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.845 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 82.0 mt-30 -135.9 131.08 34.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 661' ' ' TYR . . . . . 0.442 ' O ' HD12 ' A' ' 606' ' ' LEU . 53.4 m-85 -146.73 133.35 19.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.964 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 662' ' ' LEU . . . . . 0.78 HD11 ' HB2' ' A' ' 604' ' ' GLU . 0.6 OUTLIER -80.58 110.97 16.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.93 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 663' ' ' VAL . . . . . . . . . . . . . 8.0 m -107.83 119.43 57.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.099 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 664' ' ' HIS . . . . . . . . . . . . . 1.8 p-80 -86.02 108.65 18.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.893 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 665' ' ' VAL . . . . . 0.743 HG22 ' H ' ' A' ' 666' ' ' ASN . 1.3 p -156.4 -177.58 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.122 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 666' ' ' ASN . . . . . 0.743 ' H ' HG22 ' A' ' 665' ' ' VAL . 0.7 OUTLIER -129.09 -174.81 3.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 667' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -44.02 -33.41 1.42 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.915 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -43.39 -36.43 1.93 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 669' ' ' PHE . . . . . 0.515 ' HB2' HG11 ' A' ' 665' ' ' VAL . 3.2 t80 -50.58 -44.92 56.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.85 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 670' ' ' LEU . . . . . 0.624 HD22 ' O ' ' A' ' 703' ' ' ILE . 80.9 mt -49.88 -46.42 51.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.932 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 671' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -53.68 -50.45 65.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.906 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 672' ' ' TYR . . . . . 0.408 ' CD1' ' C ' ' A' ' 672' ' ' TYR . 0.5 OUTLIER -45.79 -22.73 0.2 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.881 -179.801 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 673' ' ' ILE . . . . . 0.458 HG21 ' CG2' ' A' ' 703' ' ' ILE . 4.0 mm -75.38 -46.52 37.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.133 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 674' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -76.17 -42.27 47.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 675' ' ' LYS . . . . . . . . . . . . . 41.8 mmtt -63.37 -56.46 16.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 676' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -125.27 156.49 38.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.908 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 7.7 p -124.49 164.38 19.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.14 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 678' ' ' ILE . . . . . 0.477 ' O ' ' N ' ' A' ' 698' ' ' LEU . 4.8 mp -90.69 138.18 20.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.179 179.856 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 5.4 m -101.33 118.06 36.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.132 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 680' ' ' LEU . . . . . 0.72 HD13 HD11 ' A' ' 698' ' ' LEU . 7.7 tt -121.0 103.74 9.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 681' ' ' GLU . . . . . 0.463 ' OE1' ' N ' ' A' ' 681' ' ' GLU . 3.2 mp0 -102.37 142.64 33.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.837 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 682' ' ' VAL . . . . . . . . . . . . . 61.8 t -115.11 98.64 7.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.125 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 683' ' ' HIS . . . . . 0.635 ' NE2' ' CZ ' ' A' ' 632' ' ' PHE . 3.5 p-80 -97.83 153.48 18.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.828 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 684' ' ' GLN . . . . . . . . . . . . . 48.7 tt0 -98.97 125.01 44.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.959 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 685' ' ' ALA . . . . . 0.595 ' HB1' ' CE2' ' A' ' 690' ' ' TYR . . . -94.46 113.67 25.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.117 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 686' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 -93.52 168.16 11.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 687' ' ' SER . . . . . . . . . . . . . 18.5 m -85.46 6.26 27.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.859 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 688' ' ' THR . . . . . . . . . . . . . 78.5 p -132.0 -47.4 0.93 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.132 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 689' ' ' GLU . . . . . 0.498 ' C ' ' CD1' ' A' ' 690' ' ' TYR . 2.1 pt-20 -133.26 -177.46 4.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 690' ' ' TYR . . . . . 0.595 ' CE2' ' HB1' ' A' ' 685' ' ' ALA . 26.0 m-85 -147.23 120.35 8.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.893 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 691' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -146.19 145.49 30.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.884 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 692' ' ' THR . . . . . 0.465 HG23 ' HB3' ' A' ' 683' ' ' HIS . 1.0 OUTLIER -68.24 158.2 33.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.135 -179.926 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 693' ' ' ILE . . . . . 0.481 HG13 ' N ' ' A' ' 694' ' ' ALA . 34.0 pt -133.77 -33.7 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.113 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 694' ' ' ALA . . . . . 0.481 ' N ' HG13 ' A' ' 693' ' ' ILE . . . -139.82 152.84 46.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.103 179.841 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 695' ' ' ALA . . . . . . . . . . . . . . . -151.65 121.79 7.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.142 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 696' ' ' CYS . . . . . . . . . . . . . 15.1 p -136.11 176.07 9.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.929 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 697' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -127.66 119.53 26.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 698' ' ' LEU . . . . . 0.72 HD11 HD13 ' A' ' 680' ' ' LEU . 12.1 mt -73.46 121.53 20.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 699' ' ' LYS . . . . . . . . . . . . . 10.4 ptpt -143.77 125.23 14.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 700' ' ' PHE . . . . . 0.546 ' CD2' ' CE1' ' A' ' 733' ' ' PHE . 1.4 m-85 -108.63 125.08 51.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.864 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 701' ' ' HIS . . . . . . . . . . . . . 53.1 m-70 -89.15 -46.8 8.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.85 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 702' ' ' GLU . . . . . 0.502 ' HB2' HG21 ' A' ' 710' ' ' ILE . 9.2 mt-10 -53.43 -26.66 20.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.893 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 703' ' ' ILE . . . . . 0.624 ' O ' HD22 ' A' ' 670' ' ' LEU . 5.8 tt -71.97 2.08 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.1 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 704' ' ' LEU . . . . . . . . . . . . . 59.4 mt -100.03 -19.7 16.4 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.92 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 705' ' ' GLU . . . . . 0.458 ' C ' ' OE1' ' A' ' 705' ' ' GLU . 0.0 OUTLIER -116.93 -33.44 4.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.848 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 706' ' ' LYS . . . . . 0.411 ' HG2' ' HG3' ' A' ' 705' ' ' GLU . 9.0 ptpp? -122.96 159.89 27.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 707' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -139.44 128.68 23.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 708' ' ' GLY . . . . . 0.457 ' O ' ' N ' ' A' ' 710' ' ' ILE . . . 125.94 -144.38 15.07 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.494 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 709' ' ' ARG . . . . . . . . . . . . . 51.6 mtt180 -55.96 84.62 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.819 0.343 . . . . 0.0 110.853 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 710' ' ' ILE . . . . . 0.502 HG21 ' HB2' ' A' ' 702' ' ' GLU . 20.2 mt -124.0 125.98 71.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.103 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 711' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -95.89 144.37 26.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.91 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 712' ' ' CYS . . . . . . . . . . . . . 7.1 t -162.54 169.43 20.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 713' ' ' THR . . . . . . . . . . . . . 19.3 p -142.88 167.59 21.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.117 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 714' ' ' ALA . . . . . 0.645 ' HB2' ' OH ' ' A' ' 731' ' ' TYR . . . -131.96 146.86 52.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.081 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 715' ' ' SER . . . . . . . . . . . . . 29.5 p -89.44 149.58 22.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.84 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 716' ' ' LEU . . . . . . . . . . . . . 24.4 mt -116.82 133.55 55.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.913 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 717' ' ' ILE . . . . . . . . . . . . . 3.7 mp -121.16 118.35 55.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.112 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 718' ' ' GLY . . . . . 0.507 ' CA ' ' CD2' ' A' ' 726' ' ' PHE . . . -51.47 168.63 0.51 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.521 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 719' ' ' THR . . . . . . . . . . . . . 75.5 p -112.87 -30.09 7.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.881 0.372 . . . . 0.0 111.159 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 720' ' ' LYS . . . . . . . . . . . . . 10.5 mttm -72.06 -65.31 0.79 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.878 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 721' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 722' ' ' ASP . . . -108.21 31.11 8.18 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.439 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 722' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 721' ' ' GLY . 27.3 t70 37.52 48.85 0.94 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.77 0.319 . . . . 0.0 110.83 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 723' ' ' ILE . . . . . 0.744 HD13 ' OE1' ' A' ' 619' ' ' GLU . 93.7 mt -69.45 113.38 16.52 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.606 0.717 . . . . 0.0 111.138 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 724' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -36.62 10.53 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.719 2.279 . . . . 0.0 112.343 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 725' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -91.72 36.96 0.96 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.848 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 726' ' ' PHE . . . . . 0.507 ' CD2' ' CA ' ' A' ' 718' ' ' GLY . 7.4 t80 -55.24 -35.14 64.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.855 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 727' ' ' GLY . . . . . . . . . . . . . . . 151.64 -167.91 31.0 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.533 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 728' ' ' THR . . . . . . . . . . . . . 3.2 m -143.3 144.74 32.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.805 0.336 . . . . 0.0 111.126 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 729' ' ' VAL . . . . . 0.45 HG13 ' CE2' ' A' ' 731' ' ' TYR . 12.0 p -107.64 140.55 25.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.174 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 12.4 mp0 -109.49 126.23 53.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.859 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 731' ' ' TYR . . . . . 0.645 ' OH ' ' HB2' ' A' ' 714' ' ' ALA . 1.3 p90 -159.94 164.17 33.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.947 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 732' ' ' TRP . . . . . 0.425 ' CZ3' ' HG2' ' A' ' 734' ' ' ARG . 18.1 p-90 -139.09 141.92 38.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.889 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 733' ' ' PHE . . . . . 0.546 ' CE1' ' CD2' ' A' ' 700' ' ' PHE . 30.4 p90 -124.64 157.37 35.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 734' ' ' ARG . . . . . 0.425 ' HG2' ' CZ3' ' A' ' 732' ' ' TRP . 8.1 ptm180 -154.56 121.32 5.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.866 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 735' ' ' LEU . . . . . 0.447 ' HB2' ' CD2' ' A' ' 607' ' ' PHE . 5.7 tp -130.53 107.33 9.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.94 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 736' ' ' ARG . . . . . 0.431 ' O ' ' C ' ' A' ' 737' ' ' VAL . 10.8 ttt180 -155.88 146.14 21.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.897 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 737' ' ' VAL . . . . . 0.62 HG11 ' OE1' ' A' ' 601' ' ' GLU . 7.1 p -35.44 133.47 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.153 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 738' ' ' SER . . . . . . . . . . . . . 40.6 t -104.82 137.38 42.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.834 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 739' ' ' GLY . . . . . . . . . . . . . . . -107.91 83.97 0.36 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.477 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 740' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -40.52 5.31 Favored 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.703 2.269 . . . . 0.0 112.342 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 9.1 m -64.67 -55.97 16.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.839 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 23.8 p -62.2 94.69 0.06 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.863 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 743' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.467 -179.976 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 588' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 589' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 589' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 588' ' ' GLY . 51.1 m -37.86 -56.16 1.13 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.929 0.395 . . . . 0.0 110.86 -179.74 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 590' ' ' SER . . . . . . . . . . . . . 6.3 t -166.15 150.71 8.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.847 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 591' ' ' GLY . . . . . . . . . . . . . . . -174.78 49.28 0.14 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.458 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 70.4 p -159.54 136.27 9.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.846 0.355 . . . . 0.0 110.913 -179.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 21.2 m -123.81 84.09 2.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 594' ' ' GLY . . . . . . . . . . . . . . . 130.24 -128.29 5.56 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.479 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 595' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -159.46 178.05 10.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.78 0.324 . . . . 0.0 110.869 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 596' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -149.79 109.68 4.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.833 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 597' ' ' THR . . . . . . . . . . . . . 80.4 p -144.33 142.4 30.38 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.107 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 598' ' ' ILE . . . . . . . . . . . . . 76.5 mt -85.01 -45.13 17.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.127 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 599' ' ' HIS . . . . . . . . . . . . . 23.0 t-80 -167.56 123.43 1.08 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.885 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 600' ' ' LEU . . . . . . . . . . . . . 7.0 mt -152.04 136.32 16.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 601' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -87.61 157.11 19.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.934 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 602' ' ' ARG . . . . . 0.433 ' HD2' ' N ' ' A' ' 602' ' ' ARG . 2.4 mpt_? -88.27 37.04 0.8 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.889 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 603' ' ' GLY . . . . . . . . . . . . . . . -104.88 176.45 22.88 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.487 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 604' ' ' GLU . . . . . 0.826 ' O ' HG23 ' A' ' 737' ' ' VAL . 0.6 OUTLIER -61.68 150.89 35.25 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.823 0.344 . . . . 0.0 110.907 -179.901 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 605' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -121.5 154.07 37.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 606' ' ' LEU . . . . . 0.468 HD21 HE21 ' A' ' 660' ' ' GLN . 37.6 tp -131.58 124.79 30.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 607' ' ' PHE . . . . . 0.691 ' HD2' HD13 ' A' ' 735' ' ' LEU . 8.4 t80 -123.97 122.74 38.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 608' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -135.01 154.24 51.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.877 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 609' ' ' ILE . . . . . . . . . . . . . 40.8 mt -136.95 129.3 44.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.143 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 610' ' ' HIS . . . . . 0.464 ' ND1' ' C ' ' A' ' 610' ' ' HIS . 0.0 OUTLIER -125.62 127.45 46.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.857 179.896 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 611' ' ' ILE . . . . . 0.41 ' N ' ' ND1' ' A' ' 610' ' ' HIS . 46.4 mm -94.5 105.52 17.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.093 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 612' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 -59.7 -67.48 0.38 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 613' ' ' LYS . . . . . . . . . . . . . 2.8 ptpt -160.09 178.7 9.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 614' ' ' VAL . . . . . 0.479 HG22 HG23 ' A' ' 729' ' ' VAL . 72.0 t -130.76 114.29 27.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.166 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 615' ' ' THR . . . . . . . . . . . . . 37.9 m -87.99 150.21 23.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.132 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 616' ' ' PHE . . . . . 0.514 ' HB3' ' CG2' ' A' ' 620' ' ' VAL . 62.0 m-85 -128.35 162.92 25.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.919 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 617' ' ' SER . . . . . 0.489 ' O ' ' N ' ' A' ' 619' ' ' GLU . 8.0 t -107.84 150.22 27.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 -179.825 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 618' ' ' SER . . . . . . . . . . . . . 15.2 m -38.69 -26.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.853 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 619' ' ' GLU . . . . . 0.489 ' N ' ' O ' ' A' ' 617' ' ' SER . 6.9 mp0 -48.53 -58.42 4.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.903 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 620' ' ' VAL . . . . . 0.514 ' CG2' ' HB3' ' A' ' 616' ' ' PHE . 31.2 m -77.85 -35.77 21.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.145 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 621' ' ' LEU . . . . . . . . . . . . . 24.4 mt -56.28 -64.42 0.87 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.921 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 622' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -49.17 -57.96 5.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.931 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -44.74 -43.58 8.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.102 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 4.0 m -68.98 -50.93 44.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.828 -179.75 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 625' ' ' GLY . . . . . . . . . . . . . . . 95.85 -138.19 13.81 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.482 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 626' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -92.36 46.21 1.24 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.821 0.343 . . . . 0.0 110.836 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 43.6 mttm -122.45 160.43 25.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.87 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -109.67 91.48 10.53 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.694 0.759 . . . . 0.0 110.874 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 629' ' ' PRO . . . . . 0.586 ' HD2' HD22 ' A' ' 651' ' ' LEU . 53.7 Cg_endo -69.77 115.79 4.26 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.688 2.258 . . . . 0.0 112.338 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 630' ' ' VAL . . . . . 0.415 ' CG1' ' CG1' ' A' ' 647' ' ' VAL . 17.6 t -89.88 128.79 41.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.08 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 631' ' ' THR . . . . . 0.562 HG22 ' HG2' ' A' ' 684' ' ' GLN . 57.9 p -140.44 150.87 44.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.137 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 632' ' ' PHE . . . . . 0.602 ' CZ ' ' NE2' ' A' ' 683' ' ' HIS . 9.5 p90 -139.04 143.83 38.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 633' ' ' CYS . . . . . . . . . . . . . 85.7 m -98.15 143.24 28.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.837 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 634' ' ' THR . . . . . . . . . . . . . 13.3 p -145.49 130.29 18.14 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.123 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 635' ' ' TYR . . . . . 0.487 ' CD2' HD12 ' A' ' 680' ' ' LEU . 43.1 p90 -166.11 175.85 8.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.915 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 636' ' ' ALA . . . . . . . . . . . . . . . -128.57 144.83 51.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.066 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 637' ' ' PHE . . . . . . . . . . . . . 65.3 t80 -107.02 136.33 47.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.88 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 638' ' ' TYR . . . . . 0.42 ' OH ' HG23 ' A' ' 665' ' ' VAL . 2.8 t80 52.18 25.13 3.11 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.932 -179.84 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 639' ' ' ASP . . . . . . . . . . . . . 7.4 t0 68.27 46.81 1.05 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.861 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 640' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -108.49 176.01 5.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -50.98 126.88 17.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.877 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 642' ' ' LEU . . . . . . . . . . . . . 10.0 tp -47.05 154.32 0.36 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 643' ' ' GLN . . . . . . . . . . . . . 17.2 mm-40 -122.53 110.11 15.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.926 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 644' ' ' THR . . . . . . . . . . . . . 55.9 m -82.69 121.28 26.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.118 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 645' ' ' THR . . . . . . . . . . . . . 20.5 p -83.92 154.43 64.34 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.53 0.681 . . . . 0.0 111.175 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 646' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 120.98 7.68 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.726 2.284 . . . . 0.0 112.331 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 647' ' ' VAL . . . . . 0.415 ' CG1' ' CG1' ' A' ' 630' ' ' VAL . 59.0 t -68.88 126.83 29.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.111 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 86.7 t -131.54 140.0 49.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.149 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 649' ' ' ARG . . . . . . . . . . . . . 13.9 mtm-85 -84.93 150.77 24.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.916 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 650' ' ' GLY . . . . . . . . . . . . . . . 114.78 156.06 11.24 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.473 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 651' ' ' LEU . . . . . 0.586 HD22 ' HD2' ' A' ' 629' ' ' PRO . 4.4 mm? -64.31 -54.97 24.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.848 0.356 . . . . 0.0 110.928 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 652' ' ' HIS . . . . . . . . . . . . . 15.3 m-70 -108.3 72.54 0.42 Allowed Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.535 0.683 . . . . 0.0 110.83 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 653' ' ' PRO . . . . . 0.405 ' HD3' ' C ' ' A' ' 651' ' ' LEU . 53.6 Cg_endo -69.73 163.19 39.19 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.679 2.252 . . . . 0.0 112.332 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -118.57 80.15 1.49 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 655' ' ' TYR . . . . . . . . . . . . . 43.1 m-85 -51.5 -53.69 34.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.893 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 5.2 m120 58.14 40.13 25.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.903 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 657' ' ' PHE . . . . . . . . . . . . . 39.9 t80 -92.64 109.0 20.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 88.3 m -119.31 119.38 33.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.146 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 56.6 m -138.94 140.26 38.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.845 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 660' ' ' GLN . . . . . 0.468 HE21 HD21 ' A' ' 606' ' ' LEU . 0.0 OUTLIER -136.36 149.82 48.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.905 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 661' ' ' TYR . . . . . . . . . . . . . 78.6 m-85 -149.44 138.31 21.13 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.937 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 662' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.54 105.64 4.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.926 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 663' ' ' VAL . . . . . 0.532 ' O ' HG23 ' A' ' 663' ' ' VAL . 24.2 m -105.97 120.95 57.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.067 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 664' ' ' HIS . . . . . 0.406 ' O ' ' CG ' ' A' ' 664' ' ' HIS . 9.6 p80 -89.76 98.53 11.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.867 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 665' ' ' VAL . . . . . 0.558 HG22 ' N ' ' A' ' 666' ' ' ASN . 11.4 p -138.34 164.01 27.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.157 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 666' ' ' ASN . . . . . 0.558 ' N ' HG22 ' A' ' 665' ' ' VAL . 11.5 m120 -109.46 -175.01 2.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.921 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 667' ' ' ASP . . . . . 0.453 ' O ' ' C ' ' A' ' 668' ' ' LEU . 0.9 OUTLIER -40.17 -45.28 1.99 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.877 179.873 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 668' ' ' LEU . . . . . 0.453 ' C ' ' O ' ' A' ' 667' ' ' ASP . 11.1 mt -33.94 -39.69 0.07 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.914 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 669' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -45.82 -54.88 7.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 670' ' ' LEU . . . . . 0.464 HD22 ' HA ' ' A' ' 704' ' ' LEU . 37.1 mt -50.27 -43.04 53.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 671' ' ' GLN . . . . . . . . . . . . . 8.3 mm100 -54.49 -48.39 71.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 672' ' ' TYR . . . . . 0.484 ' CD1' ' C ' ' A' ' 672' ' ' TYR . 0.7 OUTLIER -47.9 -40.36 21.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.922 -179.859 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 673' ' ' ILE . . . . . 0.435 HD13 HG21 ' A' ' 703' ' ' ILE . 16.1 mt -63.23 -38.57 82.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.11 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 674' ' ' GLN . . . . . . . . . . . . . 8.2 mm-40 -78.95 -61.55 1.98 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.924 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 675' ' ' LYS . . . . . . . . . . . . . 45.4 mtpt -53.94 -57.47 10.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 676' ' ' ASN . . . . . . . . . . . . . 18.8 m-20 -111.01 173.07 6.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.925 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 37.6 p -139.65 164.7 29.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.115 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 678' ' ' ILE . . . . . . . . . . . . . 5.3 mp -87.5 139.36 17.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.145 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 20.4 m -109.57 125.57 52.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.152 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 680' ' ' LEU . . . . . 0.712 ' O ' HD23 ' A' ' 680' ' ' LEU . 7.2 tt -134.78 102.09 5.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.902 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 681' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -98.96 128.91 45.22 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 682' ' ' VAL . . . . . . . . . . . . . 76.9 t -99.86 99.14 7.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.117 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 683' ' ' HIS . . . . . 0.602 ' NE2' ' CZ ' ' A' ' 632' ' ' PHE . 9.8 p-80 -93.11 162.49 14.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 684' ' ' GLN . . . . . 0.562 ' HG2' HG22 ' A' ' 631' ' ' THR . 41.3 mt-30 -111.75 160.05 17.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -107.58 102.82 12.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.106 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 686' ' ' TYR . . . . . 0.523 ' CE2' ' HB2' ' A' ' 684' ' ' GLN . 0.1 OUTLIER -129.18 131.19 47.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.94 -179.822 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 687' ' ' SER . . . . . 0.607 ' O ' HG22 ' A' ' 688' ' ' THR . 1.8 m 45.48 53.24 8.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.901 -179.816 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 688' ' ' THR . . . . . 0.607 HG22 ' O ' ' A' ' 687' ' ' SER . 14.8 t 46.05 26.13 0.39 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.106 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 689' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -113.69 147.83 37.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.877 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 690' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -128.67 116.98 20.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.932 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 691' ' ' GLU . . . . . 0.431 ' O ' HG23 ' A' ' 693' ' ' ILE . 41.8 tt0 -147.21 105.0 3.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.895 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 692' ' ' THR . . . . . 0.429 ' C ' ' O ' ' A' ' 691' ' ' GLU . 96.5 m -33.8 135.74 0.13 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.11 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 693' ' ' ILE . . . . . 0.486 HD12 ' N ' ' A' ' 694' ' ' ALA . 2.6 pp -128.76 -28.9 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.165 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 694' ' ' ALA . . . . . 0.486 ' N ' HD12 ' A' ' 693' ' ' ILE . . . -130.92 132.03 44.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.16 179.771 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 695' ' ' ALA . . . . . . . . . . . . . . . -135.46 144.18 46.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.108 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 696' ' ' CYS . . . . . . . . . . . . . 30.6 p -151.45 160.8 43.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 697' ' ' GLN . . . . . 0.4 ' N ' ' CD ' ' A' ' 697' ' ' GLN . 7.1 mp0 -109.05 122.16 46.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 -179.838 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 698' ' ' LEU . . . . . 0.572 HD22 ' CE2' ' A' ' 731' ' ' TYR . 29.8 mt -93.58 123.63 37.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 699' ' ' LYS . . . . . . . . . . . . . 8.6 ptpt -150.21 132.98 15.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.891 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 700' ' ' PHE . . . . . 0.641 ' CD1' ' CE1' ' A' ' 733' ' ' PHE . 5.6 m-85 -109.81 125.6 52.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.884 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 701' ' ' HIS . . . . . . . . . . . . . 35.0 m-70 -88.84 -67.83 0.81 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.856 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 702' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 706' ' ' LYS . 81.4 mm-40 -45.74 -30.9 1.77 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 703' ' ' ILE . . . . . 0.435 HG21 HD13 ' A' ' 673' ' ' ILE . 0.0 OUTLIER -47.86 -39.61 7.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.079 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 704' ' ' LEU . . . . . 0.464 ' HA ' HD22 ' A' ' 670' ' ' LEU . 21.0 mt -60.71 -43.52 97.73 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.939 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 705' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -89.38 -65.05 1.05 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.884 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 706' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 702' ' ' GLU . 19.4 mttm -82.77 175.12 10.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.936 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 707' ' ' SER . . . . . . . . . . . . . 89.5 p -169.96 105.03 0.32 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.89 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 708' ' ' GLY . . . . . . . . . . . . . . . 160.28 80.81 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.465 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 709' ' ' ARG . . . . . . . . . . . . . 49.1 mtt85 44.45 54.81 6.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.781 0.324 . . . . 0.0 110.848 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 710' ' ' ILE . . . . . . . . . . . . . 16.6 mt -72.18 82.89 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.116 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 711' ' ' PHE . . . . . . . . . . . . . 79.3 m-85 -37.24 131.49 0.83 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.913 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 712' ' ' CYS . . . . . . . . . . . . . 65.6 m -154.71 178.39 10.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.829 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 713' ' ' THR . . . . . . . . . . . . . 38.2 p -150.64 163.22 39.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.126 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 714' ' ' ALA . . . . . . . . . . . . . . . -135.26 160.75 37.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.123 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 715' ' ' SER . . . . . . . . . . . . . 28.9 t -100.23 139.24 36.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.845 -179.762 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 716' ' ' LEU . . . . . . . . . . . . . 13.7 mt -111.37 138.87 47.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.933 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 717' ' ' ILE . . . . . . . . . . . . . 4.4 mp -127.77 144.75 36.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.133 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 718' ' ' GLY . . . . . . . . . . . . . . . -90.77 160.72 27.78 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.452 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 719' ' ' THR . . . . . . . . . . . . . 24.6 p -106.3 -41.31 5.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.853 0.358 . . . . 0.0 111.123 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 720' ' ' LYS . . . . . . . . . . . . . 7.2 mmpt? -55.92 -47.18 77.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 721' ' ' GLY . . . . . 0.444 ' O ' ' C ' ' A' ' 722' ' ' ASP . . . -124.17 30.98 4.62 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.493 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 722' ' ' ASP . . . . . 0.445 ' CG ' ' O ' ' A' ' 722' ' ' ASP . 18.0 t70 34.39 41.8 0.06 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.814 0.34 . . . . 0.0 110.837 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 723' ' ' ILE . . . . . . . . . . . . . 76.4 mt -67.87 111.67 8.34 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.593 0.711 . . . . 0.0 111.119 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 724' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -50.86 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.643 2.229 . . . . 0.0 112.333 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 725' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -86.14 50.42 1.98 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.891 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 726' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -59.0 -42.5 90.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 727' ' ' GLY . . . . . . . . . . . . . . . 155.79 175.94 27.37 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.485 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 728' ' ' THR . . . . . . . . . . . . . 6.3 m -117.85 145.9 44.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.763 0.316 . . . . 0.0 111.169 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 729' ' ' VAL . . . . . 0.479 HG23 HG22 ' A' ' 614' ' ' VAL . 7.1 p -108.77 140.45 27.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.119 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -108.67 117.75 35.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.918 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 731' ' ' TYR . . . . . 0.572 ' CE2' HD22 ' A' ' 698' ' ' LEU . 0.5 OUTLIER -160.8 159.16 29.62 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.931 -179.817 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 732' ' ' TRP . . . . . . . . . . . . . 69.6 p-90 -131.95 175.05 9.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.917 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 733' ' ' PHE . . . . . 0.641 ' CE1' ' CD1' ' A' ' 700' ' ' PHE . 15.2 p90 -152.37 151.0 30.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.828 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 734' ' ' ARG . . . . . 0.4 HH22 HD23 ' A' ' 606' ' ' LEU . 16.0 ttp180 -146.58 139.03 25.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.84 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 735' ' ' LEU . . . . . 0.691 HD13 ' HD2' ' A' ' 607' ' ' PHE . 43.6 tp -139.97 105.12 5.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.942 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 736' ' ' ARG . . . . . . . . . . . . . 9.6 mmm180 -149.05 166.7 27.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.856 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 737' ' ' VAL . . . . . 0.826 HG23 ' O ' ' A' ' 604' ' ' GLU . 7.1 p -71.26 113.58 7.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.128 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 738' ' ' SER . . . . . . . . . . . . . 15.9 t -44.73 124.92 4.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 739' ' ' GLY . . . . . . . . . . . . . . . -89.62 141.42 16.12 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.475 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 740' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 2.91 3.14 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.738 2.292 . . . . 0.0 112.324 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 60.1 p -81.8 95.82 7.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.829 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 34.1 p -68.92 -56.02 9.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.852 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 743' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.51 -179.965 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 588' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 35.1 m -132.75 165.32 24.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.854 0.359 . . . . 0.0 110.846 -179.719 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 590' ' ' SER . . . . . . . . . . . . . 1.4 t -147.36 143.87 28.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.859 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 591' ' ' GLY . . . . . . . . . . . . . . . -135.21 102.09 0.42 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.501 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 13.4 t -168.36 129.55 1.33 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.858 0.361 . . . . 0.0 110.862 -179.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 11.1 t -173.85 154.28 2.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.89 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 594' ' ' GLY . . . . . . . . . . . . . . . -45.75 -40.43 9.11 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.452 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 595' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -151.0 -179.76 7.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.788 0.328 . . . . 0.0 110.846 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 596' ' ' GLU . . . . . 0.436 ' O ' ' C ' ' A' ' 597' ' ' THR . 51.7 mp0 -155.63 114.19 3.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 597' ' ' THR . . . . . 0.486 ' HB ' ' CE1' ' A' ' 599' ' ' HIS . 26.4 p -34.44 119.7 0.44 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.18 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 598' ' ' ILE . . . . . . . . . . . . . 9.6 mt -110.7 45.63 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.129 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 599' ' ' HIS . . . . . 0.486 ' CE1' ' HB ' ' A' ' 597' ' ' THR . 5.3 p-80 -132.54 48.68 2.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 600' ' ' LEU . . . . . . . . . . . . . 15.9 mt -148.43 178.21 8.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.94 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 601' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -86.71 162.11 18.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 602' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? -86.45 91.17 8.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 603' ' ' GLY . . . . . . . . . . . . . . . 179.97 167.92 37.86 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.5 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 604' ' ' GLU . . . . . 0.564 ' HG2' HD11 ' A' ' 662' ' ' LEU . 2.3 tp10 -51.84 174.16 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.86 0.362 . . . . 0.0 110.893 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 605' ' ' ASN . . . . . 0.497 ' ND2' ' O ' ' A' ' 663' ' ' VAL . 1.3 p-10 -113.68 146.75 39.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 606' ' ' LEU . . . . . 0.4 ' HB2' ' CB ' ' A' ' 738' ' ' SER . 12.0 tp -136.56 142.89 43.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 607' ' ' PHE . . . . . . . . . . . . . 11.2 t80 -138.51 144.52 40.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 608' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -156.68 142.47 17.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.866 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 609' ' ' ILE . . . . . . . . . . . . . 5.3 mp -120.94 123.11 69.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.122 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 610' ' ' HIS . . . . . 0.527 ' HB3' ' CE2' ' A' ' 732' ' ' TRP . 61.8 t60 -99.65 140.48 33.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.829 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 50.9 mm -118.35 97.62 5.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.131 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 612' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -60.26 -67.72 0.36 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.92 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 613' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -159.85 176.89 11.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.898 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 614' ' ' VAL . . . . . 0.406 HG22 HG23 ' A' ' 729' ' ' VAL . 66.4 t -129.04 123.71 59.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.105 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 615' ' ' THR . . . . . . . . . . . . . 44.3 m -94.5 146.59 23.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.088 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 616' ' ' PHE . . . . . 0.501 ' HB3' ' CG2' ' A' ' 620' ' ' VAL . 33.2 m-85 -123.73 161.96 24.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 617' ' ' SER . . . . . 0.453 ' O ' HG22 ' A' ' 620' ' ' VAL . 2.9 t -100.42 153.44 19.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.875 -179.799 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 618' ' ' SER . . . . . . . . . . . . . 48.0 t -49.52 -21.27 0.91 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.897 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 619' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -58.2 -51.43 69.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.894 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 620' ' ' VAL . . . . . 0.501 ' CG2' ' HB3' ' A' ' 616' ' ' PHE . 30.1 m -77.72 -21.25 13.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.139 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 621' ' ' LEU . . . . . . . . . . . . . 21.0 mt -66.97 -61.88 1.71 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.947 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 622' ' ' GLN . . . . . . . . . . . . . 72.5 mt-30 -57.27 -52.76 64.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.916 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -44.64 -47.48 10.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.074 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 13.2 t -62.5 -46.98 85.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.852 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 625' ' ' GLY . . . . . . . . . . . . . . . 103.51 -155.84 17.85 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.484 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 626' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -83.64 45.73 1.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.918 0.39 . . . . 0.0 110.863 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 9.9 ptpt -132.61 169.04 17.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.93 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 628' ' ' GLU . . . . . 0.409 ' HA ' ' HD2' ' A' ' 629' ' ' PRO . 18.3 mp0 -115.61 92.76 34.62 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.648 0.737 . . . . 0.0 110.917 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 629' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' ' 628' ' ' GLU . 53.6 Cg_endo -69.8 110.95 2.69 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.689 2.259 . . . . 0.0 112.342 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 630' ' ' VAL . . . . . 0.416 ' CG1' ' CG1' ' A' ' 647' ' ' VAL . 14.6 t -79.91 134.74 26.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.117 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 631' ' ' THR . . . . . . . . . . . . . 71.8 p -153.34 160.88 42.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.087 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 632' ' ' PHE . . . . . 0.458 ' CE2' ' NE2' ' A' ' 683' ' ' HIS . 41.3 p90 -146.46 161.04 41.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.912 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 633' ' ' CYS . . . . . 0.433 ' SG ' HG22 ' A' ' 682' ' ' VAL . 99.0 m -94.65 157.22 16.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 634' ' ' THR . . . . . . . . . . . . . 12.8 p -154.2 138.26 16.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.151 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 635' ' ' TYR . . . . . 0.713 ' CD1' HD12 ' A' ' 680' ' ' LEU . 44.2 p90 -174.37 159.72 3.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.881 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 636' ' ' ALA . . . . . . . . . . . . . . . -112.42 161.48 16.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.079 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 637' ' ' PHE . . . . . 0.443 ' O ' ' C ' ' A' ' 638' ' ' TYR . 3.4 t80 -106.93 154.06 21.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 638' ' ' TYR . . . . . 0.547 ' O ' ' CD2' ' A' ' 640' ' ' PHE . 2.2 t80 -34.43 99.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.935 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 639' ' ' ASP . . . . . . . . . . . . . 3.3 t70 63.33 54.69 1.96 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.862 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 640' ' ' PHE . . . . . 0.547 ' CD2' ' O ' ' A' ' 638' ' ' TYR . 87.4 m-85 -147.68 143.07 27.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -48.59 168.38 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.886 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 642' ' ' LEU . . . . . 0.473 HD13 ' C ' ' A' ' 642' ' ' LEU . 2.8 tm? -79.4 113.55 17.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 643' ' ' GLN . . . . . . . . . . . . . 13.6 mm-40 -79.35 138.34 37.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.927 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 644' ' ' THR . . . . . . . . . . . . . 60.3 m -118.72 128.77 54.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.128 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 645' ' ' THR . . . . . 0.532 HG22 ' CD1' ' A' ' 657' ' ' PHE . 10.8 p -87.92 155.91 52.55 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.571 0.701 . . . . 0.0 111.131 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 646' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 123.57 10.22 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.683 2.255 . . . . 0.0 112.308 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 647' ' ' VAL . . . . . 0.416 ' CG1' ' CG1' ' A' ' 630' ' ' VAL . 25.0 t -68.73 134.69 29.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.14 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 42.0 t -136.82 142.44 37.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.092 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 649' ' ' ARG . . . . . . . . . . . . . 31.5 mtt85 -84.85 141.46 30.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.875 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 650' ' ' GLY . . . . . . . . . . . . . . . 123.21 158.36 10.16 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.508 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 651' ' ' LEU . . . . . 0.449 HD13 ' HA ' ' A' ' 651' ' ' LEU . 3.7 mm? -70.68 -47.81 57.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.859 0.361 . . . . 0.0 110.903 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 652' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -115.97 67.93 3.2 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.585 0.707 . . . . 0.0 110.873 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 653' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 161.95 43.93 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.727 2.285 . . . . 0.0 112.352 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -120.02 105.37 10.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.916 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 655' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 -85.86 -58.99 2.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.927 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 656' ' ' ASN . . . . . 0.462 ' HA ' ' CE1' ' A' ' 610' ' ' HIS . 15.1 m-80 63.92 29.57 14.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.862 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 657' ' ' PHE . . . . . 0.532 ' CD1' HG22 ' A' ' 645' ' ' THR . 0.6 OUTLIER -101.39 139.68 36.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 12.7 t -135.21 147.22 49.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.119 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 29.9 t -105.15 136.97 43.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -126.41 132.67 51.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.866 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 661' ' ' TYR . . . . . . . . . . . . . 27.5 m-85 -148.98 133.06 17.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.899 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 662' ' ' LEU . . . . . 0.564 HD11 ' HG2' ' A' ' 604' ' ' GLU . 0.3 OUTLIER -72.53 102.57 3.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.901 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 663' ' ' VAL . . . . . 0.497 ' O ' ' ND2' ' A' ' 605' ' ' ASN . 3.3 m -96.09 140.35 17.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.101 179.839 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 664' ' ' HIS . . . . . 0.557 ' O ' HG13 ' A' ' 665' ' ' VAL . 5.7 p80 -125.73 101.3 6.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.884 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 665' ' ' VAL . . . . . 0.711 HG23 ' HD2' ' A' ' 669' ' ' PHE . 0.0 OUTLIER -162.13 173.18 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.095 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 666' ' ' ASN . . . . . . . . . . . . . 68.4 m-80 -131.44 -70.42 0.59 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 667' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -90.39 -53.13 4.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.817 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 10.9 mp -43.3 -25.42 0.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.901 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 669' ' ' PHE . . . . . 0.711 ' HD2' HG23 ' A' ' 665' ' ' VAL . 0.7 OUTLIER -61.09 -60.5 3.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 670' ' ' LEU . . . . . 0.688 HD22 HD13 ' A' ' 704' ' ' LEU . 85.6 mt -64.4 -51.35 63.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.932 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 671' ' ' GLN . . . . . . . . . . . . . 8.7 mm-40 -49.23 -27.55 3.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 672' ' ' TYR . . . . . 0.494 ' CD1' ' C ' ' A' ' 672' ' ' TYR . 1.7 t80 -73.35 -47.25 43.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.922 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 673' ' ' ILE . . . . . . . . . . . . . 87.5 mt -70.15 -21.74 23.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.134 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 674' ' ' GLN . . . . . . . . . . . . . 8.5 mm-40 -87.61 -55.97 3.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.938 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 675' ' ' LYS . . . . . . . . . . . . . 35.9 mtpt -59.88 -70.1 0.18 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 676' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -103.01 177.76 4.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 677' ' ' THR . . . . . 0.428 ' CG2' ' HB3' ' A' ' 699' ' ' LYS . 20.3 p -135.83 -178.97 5.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.139 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 678' ' ' ILE . . . . . . . . . . . . . 18.9 mt -93.13 145.65 7.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.102 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 679' ' ' THR . . . . . 0.824 HG22 ' OE1' ' A' ' 681' ' ' GLU . 25.4 m -117.73 104.55 11.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.147 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 680' ' ' LEU . . . . . 0.81 HD13 HD11 ' A' ' 698' ' ' LEU . 7.2 tt -111.96 102.19 10.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.93 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 681' ' ' GLU . . . . . 0.824 ' OE1' HG22 ' A' ' 679' ' ' THR . 2.0 mp0 -101.69 134.78 44.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 682' ' ' VAL . . . . . 0.433 HG22 ' SG ' ' A' ' 633' ' ' CYS . 86.7 t -103.93 100.06 9.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.133 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 683' ' ' HIS . . . . . 0.484 ' CD2' ' H ' ' A' ' 683' ' ' HIS . 0.3 OUTLIER -95.83 154.87 17.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.842 179.935 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 684' ' ' GLN . . . . . . . . . . . . . 28.5 tt0 -87.25 159.16 18.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -122.54 102.78 8.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.068 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 686' ' ' TYR . . . . . 0.434 ' O ' ' C ' ' A' ' 687' ' ' SER . 74.7 m-85 -86.32 150.87 24.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.889 -179.845 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 687' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 686' ' ' TYR . 0.3 OUTLIER -34.05 -63.46 0.27 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.866 -179.844 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 688' ' ' THR . . . . . 0.509 HG23 ' OE1' ' A' ' 689' ' ' GLU . 10.2 t -119.99 22.32 11.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.135 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 689' ' ' GLU . . . . . 0.509 ' OE1' HG23 ' A' ' 688' ' ' THR . 7.1 mp0 -141.45 163.4 33.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 690' ' ' TYR . . . . . 0.471 ' CD1' ' C ' ' A' ' 689' ' ' GLU . 42.4 m-85 -154.26 120.18 5.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.906 -179.841 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 691' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -145.72 153.79 41.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.841 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 692' ' ' THR . . . . . 0.45 ' HA ' ' CB ' ' A' ' 683' ' ' HIS . 5.3 m -81.29 151.16 28.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.118 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 693' ' ' ILE . . . . . . . . . . . . . 30.2 pt -130.21 -31.09 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.155 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -135.66 160.66 37.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.089 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 695' ' ' ALA . . . . . . . . . . . . . . . -157.28 123.56 4.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.135 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 696' ' ' CYS . . . . . 0.427 ' HB3' HD23 ' A' ' 716' ' ' LEU . 3.7 p -141.65 158.08 44.27 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.936 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 697' ' ' GLN . . . . . . . . . . . . . 21.0 mp0 -112.66 130.0 56.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 698' ' ' LEU . . . . . 0.81 HD11 HD13 ' A' ' 680' ' ' LEU . 14.0 mt -94.67 135.48 36.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.943 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 699' ' ' LYS . . . . . 0.428 ' HB3' ' CG2' ' A' ' 677' ' ' THR . 2.5 pttt -152.73 125.25 8.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 700' ' ' PHE . . . . . 0.536 ' CD1' ' CD1' ' A' ' 733' ' ' PHE . 3.5 m-85 -94.06 125.3 38.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.915 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 701' ' ' HIS . . . . . . . . . . . . . 48.3 m-70 -89.05 -66.1 0.95 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.891 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 702' ' ' GLU . . . . . 0.594 ' HB2' HG21 ' A' ' 710' ' ' ILE . 23.1 mt-10 -47.91 -31.5 5.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 703' ' ' ILE . . . . . 0.64 ' CG2' HD22 ' A' ' 704' ' ' LEU . 0.0 OUTLIER -47.94 -29.62 2.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.174 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 704' ' ' LEU . . . . . 0.688 HD13 HD22 ' A' ' 670' ' ' LEU . 4.5 mm? -72.71 -44.5 61.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.904 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 705' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -83.73 -64.91 1.08 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.843 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 706' ' ' LYS . . . . . . . . . . . . . 12.9 mttm -82.62 172.68 12.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 707' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -147.42 126.6 12.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.858 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 708' ' ' GLY . . . . . 0.429 ' C ' ' HG2' ' A' ' 734' ' ' ARG . . . 124.43 -147.71 16.6 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.492 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 709' ' ' ARG . . . . . 0.487 ' N ' ' HG2' ' A' ' 734' ' ' ARG . 24.6 ttm180 -66.46 103.88 1.13 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.836 0.35 . . . . 0.0 110.811 -179.831 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 710' ' ' ILE . . . . . 0.594 HG21 ' HB2' ' A' ' 702' ' ' GLU . 53.8 mt -124.79 110.53 25.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.131 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 711' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -66.73 136.06 54.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 712' ' ' CYS . . . . . . . . . . . . . 2.2 m -162.17 165.9 26.32 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 713' ' ' THR . . . . . . . . . . . . . 53.0 p -148.15 164.43 33.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.153 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 714' ' ' ALA . . . . . . . . . . . . . . . -133.57 145.36 50.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.032 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 715' ' ' SER . . . . . . . . . . . . . 78.5 p -89.02 145.84 25.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.894 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 716' ' ' LEU . . . . . 0.427 HD23 ' HB3' ' A' ' 696' ' ' CYS . 16.5 mt -111.6 143.51 42.36 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.874 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 717' ' ' ILE . . . . . . . . . . . . . 5.3 mp -132.78 136.59 55.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.128 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 718' ' ' GLY . . . . . . . . . . . . . . . -67.62 153.57 52.92 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.48 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 719' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -87.06 -34.17 19.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.891 0.377 . . . . 0.0 111.152 -179.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 720' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -117.67 -49.81 2.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.938 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 721' ' ' GLY . . . . . . . . . . . . . . . -58.94 -12.82 16.51 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.459 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 722' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 49.22 50.82 17.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.809 0.337 . . . . 0.0 110.878 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 723' ' ' ILE . . . . . 0.426 ' HA ' ' HD2' ' A' ' 724' ' ' PRO . 17.7 mt -106.67 106.65 58.44 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.59 0.709 . . . . 0.0 111.123 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 724' ' ' PRO . . . . . 0.426 ' HD2' ' HA ' ' A' ' 723' ' ' ILE . 54.0 Cg_endo -69.75 -30.52 22.2 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.654 2.236 . . . . 0.0 112.404 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 725' ' ' ASN . . . . . . . . . . . . . 88.8 m-20 -97.61 32.89 2.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 726' ' ' PHE . . . . . . . . . . . . . 14.5 t80 -51.67 -37.47 50.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.921 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 727' ' ' GLY . . . . . . . . . . . . . . . 157.68 171.38 23.58 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.49 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 728' ' ' THR . . . . . . . . . . . . . 3.4 m -117.61 147.71 42.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.818 0.342 . . . . 0.0 111.144 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 729' ' ' VAL . . . . . 0.406 HG23 HG22 ' A' ' 614' ' ' VAL . 10.8 p -110.78 132.93 57.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.128 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -105.11 134.33 48.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 731' ' ' TYR . . . . . . . . . . . . . 13.1 p90 -164.54 164.86 21.64 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.949 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 732' ' ' TRP . . . . . 0.527 ' CE2' ' HB3' ' A' ' 610' ' ' HIS . 57.0 p-90 -144.22 128.91 18.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.926 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 733' ' ' PHE . . . . . 0.536 ' CD1' ' CD1' ' A' ' 700' ' ' PHE . 11.8 p90 -108.03 162.23 14.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.883 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 734' ' ' ARG . . . . . 0.487 ' HG2' ' N ' ' A' ' 709' ' ' ARG . 13.9 mtp-105 -157.53 130.58 7.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.919 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 735' ' ' LEU . . . . . . . . . . . . . 16.4 tp -115.08 105.15 12.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.903 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 736' ' ' ARG . . . . . . . . . . . . . 21.0 ttt180 -137.29 156.64 48.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 737' ' ' VAL . . . . . 0.513 HG22 ' N ' ' A' ' 738' ' ' SER . 15.0 p -55.6 160.12 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.126 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 738' ' ' SER . . . . . 0.513 ' N ' HG22 ' A' ' 737' ' ' VAL . 1.5 t -166.11 118.66 1.07 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 -179.836 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 739' ' ' GLY . . . . . . . . . . . . . . . 161.17 95.36 0.11 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.516 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 740' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 -14.76 36.33 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.65 2.233 . . . . 0.0 112.37 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 23.8 t -165.44 141.07 5.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.807 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 59.8 p -113.51 134.48 54.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.8 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 743' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.465 179.983 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 588' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.484 -0.247 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 66.5 p -160.2 125.23 3.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.896 0.379 . . . . 0.0 110.865 -179.748 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 590' ' ' SER . . . . . . . . . . . . . 5.4 t -153.76 146.29 24.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.847 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 591' ' ' GLY . . . . . . . . . . . . . . . 170.61 177.38 40.62 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.526 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 74.7 m -160.45 127.51 4.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.871 0.367 . . . . 0.0 110.854 -179.762 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 95.3 p -140.35 147.83 40.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.849 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 594' ' ' GLY . . . . . . . . . . . . . . . -46.37 -90.37 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.482 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 595' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -122.91 123.3 40.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.813 0.339 . . . . 0.0 110.87 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 596' ' ' GLU . . . . . . . . . . . . . 38.1 mm-40 -143.9 128.82 18.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 597' ' ' THR . . . . . . . . . . . . . 7.7 t -152.36 153.92 34.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.161 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 598' ' ' ILE . . . . . 0.622 ' H ' HD12 ' A' ' 598' ' ' ILE . 5.3 mp -65.39 116.21 4.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.114 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 599' ' ' HIS . . . . . 0.451 ' C ' ' O ' ' A' ' 598' ' ' ILE . 25.0 m-70 -34.45 114.41 0.21 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.907 179.845 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 600' ' ' LEU . . . . . . . . . . . . . 6.8 mp -74.31 170.37 15.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.872 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 601' ' ' GLU . . . . . . . . . . . . . 13.0 mp0 -78.8 175.84 10.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.847 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 602' ' ' ARG . . . . . . . . . . . . . 26.1 mmm180 -98.81 -54.21 3.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.885 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 603' ' ' GLY . . . . . . . . . . . . . . . -168.55 67.8 0.17 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.516 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 604' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -105.78 167.62 9.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.882 0.372 . . . . 0.0 110.853 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 605' ' ' ASN . . . . . . . . . . . . . 44.8 m-80 -167.79 144.05 4.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.895 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 606' ' ' LEU . . . . . 0.486 HD12 ' O ' ' A' ' 661' ' ' TYR . 4.5 tp -124.92 142.49 51.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 607' ' ' PHE . . . . . 0.564 ' CE1' HD11 ' A' ' 609' ' ' ILE . 7.1 t80 -124.86 111.51 15.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 608' ' ' GLU . . . . . 0.415 ' OE1' ' N ' ' A' ' 608' ' ' GLU . 1.9 mp0 -106.14 145.44 31.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.874 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 609' ' ' ILE . . . . . 0.564 HD11 ' CE1' ' A' ' 607' ' ' PHE . 58.8 mt -145.07 105.61 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.129 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 610' ' ' HIS . . . . . 0.403 ' CD2' ' C ' ' A' ' 610' ' ' HIS . 1.3 t60 -120.76 137.44 54.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.855 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 20.2 mm -103.25 119.01 51.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.14 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 612' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -71.43 -68.07 0.47 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.887 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 613' ' ' LYS . . . . . . . . . . . . . 4.9 pttm -164.28 172.47 13.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 614' ' ' VAL . . . . . . . . . . . . . 60.6 t -120.35 114.79 45.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.161 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 615' ' ' THR . . . . . . . . . . . . . 79.4 m -87.09 137.51 32.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.11 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 616' ' ' PHE . . . . . 0.494 ' CD1' HG11 ' A' ' 620' ' ' VAL . 35.7 m-85 -106.89 163.66 12.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.861 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 617' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 618' ' ' SER . 1.0 OUTLIER -108.0 158.44 17.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.836 -179.795 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 618' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 617' ' ' SER . 71.9 p -36.11 -58.99 0.64 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.85 -179.823 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 619' ' ' GLU . . . . . 0.471 ' O ' ' HB2' ' A' ' 623' ' ' ALA . 4.5 tp10 -42.52 -47.57 5.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.886 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 620' ' ' VAL . . . . . 0.494 HG11 ' CD1' ' A' ' 616' ' ' PHE . 4.9 t -72.0 -36.93 59.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.157 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 621' ' ' LEU . . . . . 0.403 HD12 ' HA ' ' A' ' 618' ' ' SER . 41.3 mt -67.12 -65.56 0.67 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 622' ' ' GLN . . . . . . . . . . . . . 59.5 mt-30 -52.07 -41.97 62.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 623' ' ' ALA . . . . . 0.471 ' HB2' ' O ' ' A' ' 619' ' ' GLU . . . -43.74 -45.05 6.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.082 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 38.1 m -87.73 -48.38 7.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.887 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 625' ' ' GLY . . . . . . . . . . . . . . . 98.74 -130.22 10.15 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.508 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 626' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -85.15 36.73 0.64 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.858 0.361 . . . . 0.0 110.86 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 15.2 mmmt -123.79 162.38 23.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.943 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -112.45 116.03 48.88 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.674 0.749 . . . . 0.0 110.879 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 629' ' ' PRO . . . . . 0.423 ' HD2' HD22 ' A' ' 651' ' ' LEU . 53.4 Cg_endo -69.78 126.59 13.47 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.67 2.247 . . . . 0.0 112.32 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 630' ' ' VAL . . . . . 0.504 HG22 ' HA ' ' A' ' 649' ' ' ARG . 6.5 t -106.7 112.11 38.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.12 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 631' ' ' THR . . . . . . . . . . . . . 30.8 p -143.83 160.69 40.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.16 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 632' ' ' PHE . . . . . 0.634 ' CZ ' ' NE2' ' A' ' 683' ' ' HIS . 4.3 p90 -134.39 147.09 50.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.93 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 633' ' ' CYS . . . . . 0.707 ' O ' HG23 ' A' ' 645' ' ' THR . 0.6 OUTLIER -104.83 166.14 10.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.897 -179.899 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 634' ' ' THR . . . . . 0.538 HG22 ' HA ' ' A' ' 644' ' ' THR . 65.7 p -153.68 144.66 22.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.119 -179.846 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 635' ' ' TYR . . . . . 0.767 ' CD2' HD12 ' A' ' 680' ' ' LEU . 50.3 p90 -175.06 139.27 0.47 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.941 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 636' ' ' ALA . . . . . 0.666 ' HB2' HD12 ' A' ' 642' ' ' LEU . . . -107.36 148.17 29.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.147 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 637' ' ' PHE . . . . . 0.56 ' HE2' HG11 ' A' ' 663' ' ' VAL . 36.6 t80 -111.06 143.61 41.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.95 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 638' ' ' TYR . . . . . 0.526 ' HB3' ' CE2' ' A' ' 640' ' ' PHE . 4.9 t80 44.86 39.52 3.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.934 -179.835 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 639' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 54.43 48.63 20.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.909 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 640' ' ' PHE . . . . . 0.526 ' CE2' ' HB3' ' A' ' 638' ' ' TYR . 13.9 m-85 -103.58 176.09 5.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -57.77 117.74 4.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.887 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 642' ' ' LEU . . . . . 0.666 HD12 ' HB2' ' A' ' 636' ' ' ALA . 2.5 tp -61.21 137.12 58.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.926 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 643' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -117.66 123.03 45.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.915 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 644' ' ' THR . . . . . 0.538 ' HA ' HG22 ' A' ' 634' ' ' THR . 59.7 m -77.32 111.94 13.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.175 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 645' ' ' THR . . . . . 0.707 HG23 ' O ' ' A' ' 633' ' ' CYS . 52.5 p -51.75 150.85 6.73 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.602 0.715 . . . . 0.0 111.137 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 646' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 124.0 10.65 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.723 2.282 . . . . 0.0 112.303 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 647' ' ' VAL . . . . . . . . . . . . . 39.7 t -68.92 134.59 29.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.138 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 99.0 t -143.26 134.52 23.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.171 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 649' ' ' ARG . . . . . 0.504 ' HA ' HG22 ' A' ' 630' ' ' VAL . 7.7 ptt-85 -89.79 120.65 31.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.926 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 650' ' ' GLY . . . . . . . . . . . . . . . 159.08 169.41 22.39 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.462 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 651' ' ' LEU . . . . . 0.423 HD22 ' HD2' ' A' ' 629' ' ' PRO . 4.3 mm? -80.61 -61.09 2.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.832 0.348 . . . . 0.0 110.914 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 652' ' ' HIS . . . . . . . . . . . . . 6.5 m-70 -114.1 66.65 1.51 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.64 0.733 . . . . 0.0 110.837 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 653' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 169.95 17.72 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.682 2.254 . . . . 0.0 112.34 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 654' ' ' GLU . . . . . 0.409 ' O ' ' C ' ' A' ' 655' ' ' TYR . 5.2 mm-40 -125.35 77.29 1.63 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 655' ' ' TYR . . . . . 0.409 ' C ' ' O ' ' A' ' 654' ' ' GLU . 69.4 m-85 -36.83 -44.65 0.5 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.928 -179.847 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 4.8 m120 55.05 44.99 27.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.919 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 657' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -104.32 104.93 14.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.899 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 5.3 m -108.95 135.33 50.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.164 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 46.5 p -124.28 144.05 50.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.828 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 56.2 mt-30 -143.17 124.54 14.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.908 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 661' ' ' TYR . . . . . 0.486 ' O ' HD12 ' A' ' 606' ' ' LEU . 91.8 m-85 -147.06 123.73 11.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.896 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 662' ' ' LEU . . . . . 0.438 ' HA ' HD22 ' A' ' 662' ' ' LEU . 0.7 OUTLIER -73.22 101.59 3.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.942 179.946 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 663' ' ' VAL . . . . . 0.56 HG11 ' HE2' ' A' ' 637' ' ' PHE . 29.6 m -104.13 116.9 48.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.124 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 664' ' ' HIS . . . . . 0.47 ' CD2' ' H ' ' A' ' 664' ' ' HIS . 0.1 OUTLIER -83.32 99.74 10.21 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.831 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 665' ' ' VAL . . . . . 0.562 HG22 ' N ' ' A' ' 666' ' ' ASN . 7.3 p -145.69 166.75 9.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.111 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 666' ' ' ASN . . . . . 0.562 ' N ' HG22 ' A' ' 665' ' ' VAL . 12.8 m-80 -113.49 -174.97 2.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.913 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 667' ' ' ASP . . . . . 0.562 ' OD2' HD12 ' A' ' 670' ' ' LEU . 4.0 t70 -41.47 -44.12 2.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 668' ' ' LEU . . . . . 0.416 ' C ' ' O ' ' A' ' 667' ' ' ASP . 33.4 mt -35.51 -38.28 0.11 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 669' ' ' PHE . . . . . 0.546 ' HB2' HG21 ' A' ' 665' ' ' VAL . 7.0 t80 -50.52 -51.59 46.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.846 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 670' ' ' LEU . . . . . 0.562 HD12 ' OD2' ' A' ' 667' ' ' ASP . 61.7 mt -42.43 -40.94 2.73 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 671' ' ' GLN . . . . . . . . . . . . . 10.9 mm100 -51.83 -52.35 49.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.913 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 672' ' ' TYR . . . . . 0.466 ' CD1' ' C ' ' A' ' 672' ' ' TYR . 1.4 t80 -43.45 -45.25 6.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 -179.855 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 673' ' ' ILE . . . . . 0.501 ' CD1' HD12 ' A' ' 703' ' ' ILE . 8.8 mt -62.75 -37.46 79.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.172 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 674' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -73.28 -61.57 1.78 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.893 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 675' ' ' LYS . . . . . . . . . . . . . 6.1 mtpm? -60.52 -68.79 0.27 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.923 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 676' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -90.35 161.72 15.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.856 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 4.7 p -137.85 162.54 33.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.139 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 678' ' ' ILE . . . . . 0.445 ' O ' ' N ' ' A' ' 698' ' ' LEU . 4.6 mp -91.06 142.62 12.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.122 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 19.9 m -114.13 127.93 56.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.156 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 680' ' ' LEU . . . . . 0.767 HD12 ' CD2' ' A' ' 635' ' ' TYR . 6.8 tt -132.14 100.97 5.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.958 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 681' ' ' GLU . . . . . 0.401 ' HG2' ' HB1' ' A' ' 695' ' ' ALA . 11.9 mt-10 -97.98 150.98 20.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.924 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 682' ' ' VAL . . . . . . . . . . . . . 69.6 t -123.37 116.81 49.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.113 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 683' ' ' HIS . . . . . 0.634 ' NE2' ' CZ ' ' A' ' 632' ' ' PHE . 0.1 OUTLIER -114.49 156.41 24.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.855 179.924 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 684' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -89.42 142.58 27.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -98.17 109.15 21.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.093 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 686' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -99.14 168.02 10.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.886 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 687' ' ' SER . . . . . . . . . . . . . 39.1 t -50.55 -61.02 2.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.846 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 688' ' ' THR . . . . . . . . . . . . . 73.2 p -132.15 32.87 3.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.151 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 689' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -141.44 156.78 45.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 690' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -148.9 119.37 7.39 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.963 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 691' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -149.48 151.92 34.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.923 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 692' ' ' THR . . . . . . . . . . . . . 1.8 m -82.57 145.21 29.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.142 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 693' ' ' ILE . . . . . 0.522 HG22 ' HE2' ' A' ' 720' ' ' LYS . 2.8 pp -126.44 -7.78 5.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.163 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 694' ' ' ALA . . . . . 0.49 ' HA ' HG23 ' A' ' 719' ' ' THR . . . -165.91 149.94 8.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.106 179.824 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 695' ' ' ALA . . . . . 0.401 ' HB1' ' HG2' ' A' ' 681' ' ' GLU . . . -151.87 134.79 15.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.155 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 696' ' ' CYS . . . . . 0.442 ' HB3' HD23 ' A' ' 716' ' ' LEU . 16.7 p -146.44 165.47 29.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.867 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 697' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -117.69 112.09 20.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.926 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 698' ' ' LEU . . . . . 0.445 ' N ' ' O ' ' A' ' 678' ' ' ILE . 21.3 mt -70.05 125.52 26.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.922 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 699' ' ' LYS . . . . . . . . . . . . . 7.6 ptpt -150.14 129.53 12.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.919 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 700' ' ' PHE . . . . . 0.549 ' CD1' ' CE1' ' A' ' 733' ' ' PHE . 2.1 m-85 -108.38 125.26 51.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.861 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 701' ' ' HIS . . . . . . . . . . . . . 37.9 m-70 -89.26 -60.79 1.85 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.836 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 702' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -51.32 -29.14 14.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.904 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 703' ' ' ILE . . . . . 0.715 ' CG2' HD22 ' A' ' 704' ' ' LEU . 0.0 OUTLIER -54.51 -27.7 17.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.121 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 704' ' ' LEU . . . . . 0.715 HD22 ' CG2' ' A' ' 703' ' ' ILE . 4.2 mm? -74.46 -50.52 18.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.913 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 705' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -73.18 -56.53 4.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.936 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 706' ' ' LYS . . . . . . . . . . . . . 14.7 mttp -89.05 147.61 24.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.884 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 707' ' ' SER . . . . . . . . . . . . . 15.0 m -122.13 108.7 13.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.844 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 708' ' ' GLY . . . . . . . . . . . . . . . 137.55 -149.73 20.47 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.512 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 709' ' ' ARG . . . . . 0.454 ' CD ' ' O ' ' A' ' 709' ' ' ARG . 0.9 OUTLIER -60.52 117.13 4.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.805 0.336 . . . . 0.0 110.865 -179.889 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 710' ' ' ILE . . . . . 0.443 ' CD1' ' HA ' ' A' ' 703' ' ' ILE . 41.2 mt -138.69 110.71 5.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.17 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 711' ' ' PHE . . . . . . . . . . . . . 38.3 m-85 -79.23 127.8 32.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.88 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 712' ' ' CYS . . . . . . . . . . . . . 1.8 m -154.91 173.24 16.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.836 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 713' ' ' THR . . . . . . . . . . . . . 37.8 p -146.31 166.72 25.45 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.115 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 714' ' ' ALA . . . . . . . . . . . . . . . -136.21 137.53 40.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.118 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 715' ' ' SER . . . . . . . . . . . . . 63.6 m -78.56 149.49 33.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.812 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 716' ' ' LEU . . . . . 0.442 HD23 ' HB3' ' A' ' 696' ' ' CYS . 10.2 mt -116.69 139.48 50.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.912 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 717' ' ' ILE . . . . . . . . . . . . . 4.5 mp -123.71 122.4 64.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.193 179.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 718' ' ' GLY . . . . . . . . . . . . . . . -49.84 170.0 0.18 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.519 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 719' ' ' THR . . . . . 0.49 HG23 ' HA ' ' A' ' 694' ' ' ALA . 34.3 p -111.31 -24.22 10.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.888 0.375 . . . . 0.0 111.182 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 720' ' ' LYS . . . . . 0.522 ' HE2' HG22 ' A' ' 693' ' ' ILE . 0.0 OUTLIER -95.09 -71.81 0.65 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 179.891 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 721' ' ' GLY . . . . . 0.419 ' O ' ' C ' ' A' ' 722' ' ' ASP . . . -82.93 20.67 9.1 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.776 -0.725 . . . . 0.0 112.489 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 722' ' ' ASP . . . . . 0.419 ' C ' ' O ' ' A' ' 721' ' ' GLY . 7.1 m-20 36.18 45.0 0.3 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.798 0.332 . . . . 0.0 110.884 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 723' ' ' ILE . . . . . . . . . . . . . 56.6 mt -69.65 112.82 13.4 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.609 0.718 . . . . 0.0 111.123 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 724' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -46.26 1.3 Allowed 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.687 2.258 . . . . 0.0 112.312 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 725' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 -92.1 48.91 1.46 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.904 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 726' ' ' PHE . . . . . . . . . . . . . 27.6 t80 -67.01 -37.47 84.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.906 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 727' ' ' GLY . . . . . . . . . . . . . . . 159.0 172.92 26.72 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.476 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 728' ' ' THR . . . . . . . . . . . . . 2.7 m -120.01 144.16 47.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.892 0.377 . . . . 0.0 111.136 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 729' ' ' VAL . . . . . . . . . . . . . 13.0 p -102.19 134.58 42.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.096 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -105.52 107.02 17.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.882 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 731' ' ' TYR . . . . . . . . . . . . . 5.0 p90 -127.72 176.1 7.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 732' ' ' TRP . . . . . 0.555 ' CZ2' ' HB2' ' A' ' 734' ' ' ARG . 7.2 t90 -153.36 137.42 16.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.935 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 733' ' ' PHE . . . . . 0.549 ' CE1' ' CD1' ' A' ' 700' ' ' PHE . 19.3 p90 -133.98 152.99 52.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.879 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 734' ' ' ARG . . . . . 0.555 ' HB2' ' CZ2' ' A' ' 732' ' ' TRP . 18.1 ttp180 -145.88 131.16 18.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.854 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 735' ' ' LEU . . . . . . . . . . . . . 12.7 tp -128.52 107.67 9.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 736' ' ' ARG . . . . . 0.405 ' O ' ' C ' ' A' ' 737' ' ' VAL . 16.1 tpp180 -142.06 151.11 42.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.826 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 737' ' ' VAL . . . . . 0.405 ' C ' ' O ' ' A' ' 736' ' ' ARG . 1.5 p -37.68 -40.46 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.129 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 738' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 72.8 35.84 0.99 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.847 -179.835 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 739' ' ' GLY . . . . . . . . . . . . . . . -59.25 -146.74 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.51 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 740' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 109.79 2.4 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.69 2.26 . . . . 0.0 112.344 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 7.6 t -69.51 122.86 19.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.813 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 58.6 m -106.23 -46.4 4.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.865 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 743' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.491 -179.975 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 588' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 N-CA-C 112.521 -0.231 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 3.6 t -111.92 -59.03 2.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.84 0.352 . . . . 0.0 110.841 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 590' ' ' SER . . . . . . . . . . . . . 8.5 t 67.4 42.04 2.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.872 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 591' ' ' GLY . . . . . . . . . . . . . . . -117.11 -50.91 0.38 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.531 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 3.1 m 46.3 42.13 9.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.853 0.359 . . . . 0.0 110.854 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 59.7 p -148.07 141.3 25.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.858 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 594' ' ' GLY . . . . . . . . . . . . . . . 118.32 -141.16 15.96 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.498 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 595' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -156.67 148.44 22.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.768 0.318 . . . . 0.0 110.885 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 596' ' ' GLU . . . . . . . . . . . . . 47.0 tt0 -165.02 129.73 2.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.859 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 597' ' ' THR . . . . . . . . . . . . . 27.9 p -119.15 104.49 10.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.165 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 598' ' ' ILE . . . . . 0.405 ' O ' ' C ' ' A' ' 599' ' ' HIS . 36.4 mm -80.42 113.15 19.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.091 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 599' ' ' HIS . . . . . 0.405 ' C ' ' O ' ' A' ' 598' ' ' ILE . 6.8 t60 -37.12 127.34 0.96 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.867 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 600' ' ' LEU . . . . . 0.441 HD22 ' N ' ' A' ' 600' ' ' LEU . 3.3 mm? -77.77 71.72 4.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.898 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 601' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -69.1 176.85 2.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 602' ' ' ARG . . . . . . . . . . . . . 5.3 mmp_? -91.02 179.09 5.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 603' ' ' GLY . . . . . . . . . . . . . . . -75.7 46.8 2.05 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.483 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 604' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -113.79 100.08 8.18 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.847 0.356 . . . . 0.0 110.886 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 605' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -113.95 128.17 56.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 606' ' ' LEU . . . . . . . . . . . . . 45.9 tp -93.24 130.37 38.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 607' ' ' PHE . . . . . 0.79 ' CD1' ' CZ ' ' A' ' 637' ' ' PHE . 19.6 t80 -137.0 139.73 41.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 608' ' ' GLU . . . . . 0.584 ' OE2' ' CH2' ' A' ' 732' ' ' TRP . 3.0 pp20? -154.52 165.58 36.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.894 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 609' ' ' ILE . . . . . 0.664 HD11 ' HE1' ' A' ' 607' ' ' PHE . 5.3 mp -139.15 114.47 8.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.142 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 610' ' ' HIS . . . . . 0.436 ' HB3' ' NE1' ' A' ' 732' ' ' TRP . 8.6 t60 -99.63 116.31 31.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.833 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 49.2 mm -87.54 117.78 32.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.161 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 612' ' ' ASN . . . . . . . . . . . . . 44.3 t-20 -72.19 -62.75 1.32 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.884 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 613' ' ' LYS . . . . . . . . . . . . . 14.5 pttp -170.43 176.41 4.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.863 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 614' ' ' VAL . . . . . 0.663 HG23 ' HE2' ' A' ' 655' ' ' TYR . 88.6 t -115.08 115.47 49.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.143 179.822 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 615' ' ' THR . . . . . . . . . . . . . 95.3 m -87.26 135.72 33.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.162 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 616' ' ' PHE . . . . . 0.501 ' CD1' HG11 ' A' ' 620' ' ' VAL . 33.4 m-85 -112.24 166.71 11.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.893 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -125.78 163.31 23.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.846 -179.808 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 618' ' ' SER . . . . . . . . . . . . . 73.4 m -39.89 -60.62 0.98 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.873 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 619' ' ' GLU . . . . . 0.409 ' HB3' HD13 ' A' ' 723' ' ' ILE . 44.0 mm-40 -41.54 -35.96 0.82 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 620' ' ' VAL . . . . . 0.501 HG11 ' CD1' ' A' ' 616' ' ' PHE . 5.4 t -82.38 -56.34 6.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.105 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 621' ' ' LEU . . . . . 0.554 HD23 HD12 ' A' ' 651' ' ' LEU . 15.9 mt -46.82 -39.62 12.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 622' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -74.38 -49.38 22.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.919 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -43.31 -48.07 6.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.063 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 22.8 t -77.2 -43.52 33.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.855 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 625' ' ' GLY . . . . . . . . . . . . . . . 112.84 -163.0 12.19 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.459 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 626' ' ' ASP . . . . . . . . . . . . . 57.0 m-20 -83.82 41.37 0.79 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.841 0.353 . . . . 0.0 110.862 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 19.0 mmtp -123.49 176.98 5.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.927 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 628' ' ' GLU . . . . . 0.425 ' HA ' ' HD2' ' A' ' 629' ' ' PRO . 44.4 mt-10 -103.3 99.4 14.68 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.677 0.751 . . . . 0.0 110.893 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 629' ' ' PRO . . . . . 0.633 ' HD2' HD22 ' A' ' 651' ' ' LEU . 53.6 Cg_endo -69.76 110.38 2.54 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.704 2.269 . . . . 0.0 112.312 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 630' ' ' VAL . . . . . 0.57 HG12 ' CG2' ' A' ' 647' ' ' VAL . 11.2 t -86.8 120.6 36.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.15 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 631' ' ' THR . . . . . 0.45 ' O ' HG23 ' A' ' 647' ' ' VAL . 44.4 p -145.03 170.76 15.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.148 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 632' ' ' PHE . . . . . . . . . . . . . 25.1 p90 -155.42 152.94 29.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.905 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 633' ' ' CYS . . . . . 0.412 ' SG ' HG22 ' A' ' 682' ' ' VAL . 73.8 m -94.31 139.37 31.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.852 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 634' ' ' THR . . . . . . . . . . . . . 67.0 p -142.21 125.74 16.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.165 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 635' ' ' TYR . . . . . 0.4 ' CD1' HD12 ' A' ' 680' ' ' LEU . 18.6 p90 -170.2 169.57 7.74 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.955 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 636' ' ' ALA . . . . . . . . . . . . . . . -116.24 152.45 33.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.088 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 637' ' ' PHE . . . . . 0.79 ' CZ ' ' CD1' ' A' ' 607' ' ' PHE . 55.4 t80 -118.92 118.9 32.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.866 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 638' ' ' TYR . . . . . . . . . . . . . 6.3 t80 70.07 32.12 3.08 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.92 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 639' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 62.65 35.31 14.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.854 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 640' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -96.66 179.42 4.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -61.46 125.17 22.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.865 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 642' ' ' LEU . . . . . . . . . . . . . 1.6 tp -54.45 137.02 43.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.906 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 643' ' ' GLN . . . . . . . . . . . . . 7.7 tp-100 -113.44 119.56 38.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.901 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 644' ' ' THR . . . . . . . . . . . . . 49.3 m -85.17 121.5 28.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.167 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 645' ' ' THR . . . . . . . . . . . . . 52.1 p -79.13 153.1 77.11 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.578 0.704 . . . . 0.0 111.153 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 646' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 103.06 1.1 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.668 2.245 . . . . 0.0 112.343 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 647' ' ' VAL . . . . . 0.57 ' CG2' HG12 ' A' ' 630' ' ' VAL . 9.5 p -68.72 138.77 21.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.12 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 31.3 m -136.09 158.9 38.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.117 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 649' ' ' ARG . . . . . 0.415 ' N ' ' HD2' ' A' ' 649' ' ' ARG . 3.3 mpt_? -85.4 149.2 25.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.837 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 650' ' ' GLY . . . . . . . . . . . . . . . 125.01 166.45 12.37 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.477 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 651' ' ' LEU . . . . . 0.633 HD22 ' HD2' ' A' ' 629' ' ' PRO . 4.3 mm? -80.49 -65.61 0.99 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.825 0.345 . . . . 0.0 110.858 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 652' ' ' HIS . . . . . 0.486 ' CE1' ' H ' ' A' ' 616' ' ' PHE . 18.2 m170 -111.9 64.42 0.65 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.591 0.71 . . . . 0.0 110.852 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 653' ' ' PRO . . . . . 0.462 ' HD3' ' C ' ' A' ' 651' ' ' LEU . 54.1 Cg_endo -69.75 -174.06 0.83 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.653 2.235 . . . . 0.0 112.348 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -135.03 103.87 5.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.882 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 655' ' ' TYR . . . . . 0.663 ' HE2' HG23 ' A' ' 614' ' ' VAL . 14.9 m-85 -71.94 -56.92 4.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.922 -179.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 63.38 40.56 8.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.864 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 657' ' ' PHE . . . . . 0.539 ' CZ ' ' HB2' ' A' ' 659' ' ' SER . 3.5 t80 -84.41 135.57 34.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.85 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 39.3 m -135.52 136.88 41.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.169 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 659' ' ' SER . . . . . 0.539 ' HB2' ' CZ ' ' A' ' 657' ' ' PHE . 1.6 t -152.42 121.32 6.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.843 -179.853 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -110.28 147.58 33.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.879 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 661' ' ' TYR . . . . . . . . . . . . . 38.6 m-85 -150.76 132.87 15.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.916 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 662' ' ' LEU . . . . . 0.414 HD22 ' HA ' ' A' ' 662' ' ' LEU . 0.4 OUTLIER -72.63 114.29 10.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.959 179.916 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 663' ' ' VAL . . . . . 0.407 ' O ' HG23 ' A' ' 663' ' ' VAL . 15.4 m -115.64 119.18 61.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.1 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 664' ' ' HIS . . . . . . . . . . . . . 28.8 p-80 -88.26 97.66 11.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.852 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 665' ' ' VAL . . . . . 0.524 HG11 ' CD2' ' A' ' 669' ' ' PHE . 1.1 p -146.15 153.95 13.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.108 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 666' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -102.31 -174.04 2.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 667' ' ' ASP . . . . . 0.494 ' O ' ' N ' ' A' ' 669' ' ' PHE . 2.4 m-20 -41.55 -43.66 2.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 668' ' ' LEU . . . . . 0.457 ' C ' ' O ' ' A' ' 667' ' ' ASP . 4.3 mm? -33.95 -33.94 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 669' ' ' PHE . . . . . 0.524 ' CD2' HG11 ' A' ' 665' ' ' VAL . 42.1 t80 -53.1 -50.66 63.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.874 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 670' ' ' LEU . . . . . . . . . . . . . 38.9 mt -43.33 -45.22 5.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 671' ' ' GLN . . . . . 0.413 ' O ' ' C ' ' A' ' 672' ' ' TYR . 35.1 mt-30 -56.94 -58.48 7.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.923 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 672' ' ' TYR . . . . . 0.441 ' CD1' ' C ' ' A' ' 672' ' ' TYR . 0.3 OUTLIER -37.07 -37.71 0.17 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.895 -179.806 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 673' ' ' ILE . . . . . 0.482 HD13 HG21 ' A' ' 703' ' ' ILE . 88.7 mt -61.19 -55.16 26.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.149 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 674' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -68.15 -45.7 72.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 675' ' ' LYS . . . . . . . . . . . . . 33.8 mmtt -58.5 -64.87 0.77 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.92 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 676' ' ' ASN . . . . . 0.4 ' O ' ' O ' ' A' ' 673' ' ' ILE . 9.6 m-20 -111.4 164.22 13.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.893 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 20.0 p -125.55 164.57 20.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.128 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 678' ' ' ILE . . . . . . . . . . . . . 17.5 mt -87.46 133.08 31.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.135 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 55.6 m -100.57 107.85 19.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.164 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 680' ' ' LEU . . . . . 0.769 ' O ' HD23 ' A' ' 680' ' ' LEU . 6.1 tt -119.72 102.26 8.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.874 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 681' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 -106.87 137.01 45.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.897 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 682' ' ' VAL . . . . . 0.412 HG22 ' SG ' ' A' ' 633' ' ' CYS . 97.6 t -108.67 108.11 24.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.098 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 683' ' ' HIS . . . . . 0.421 ' CD2' ' H ' ' A' ' 683' ' ' HIS . 0.3 OUTLIER -95.5 155.11 16.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.83 179.925 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 684' ' ' GLN . . . . . 0.434 ' HG3' HG21 ' A' ' 693' ' ' ILE . 49.9 mt-30 -83.62 159.3 21.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.947 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -115.52 104.73 12.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.075 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 686' ' ' TYR . . . . . 0.599 ' CE1' ' OE1' ' A' ' 691' ' ' GLU . 39.2 p90 -128.67 132.29 48.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.962 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 687' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 686' ' ' TYR . 78.5 p 36.32 46.98 0.44 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.883 -179.85 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 688' ' ' THR . . . . . . . . . . . . . 2.3 p 62.77 38.57 11.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.154 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 689' ' ' GLU . . . . . 0.582 ' HB2' ' CE2' ' A' ' 686' ' ' TYR . 20.6 mt-10 -131.2 155.54 46.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 690' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -132.8 137.18 46.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.941 -179.856 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 691' ' ' GLU . . . . . 0.599 ' OE1' ' CE1' ' A' ' 686' ' ' TYR . 12.6 pt-20 -144.61 114.56 7.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.902 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 692' ' ' THR . . . . . . . . . . . . . 10.5 m -46.38 102.59 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.155 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 693' ' ' ILE . . . . . 0.589 HG23 ' O ' ' A' ' 691' ' ' GLU . 2.6 pp -95.74 -35.04 5.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.126 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 694' ' ' ALA . . . . . 0.57 ' CB ' HD12 ' A' ' 693' ' ' ILE . . . -142.15 145.03 33.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.102 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 695' ' ' ALA . . . . . . . . . . . . . . . -135.06 150.15 50.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.095 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 696' ' ' CYS . . . . . . . . . . . . . 22.0 p -156.32 160.0 39.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 697' ' ' GLN . . . . . . . . . . . . . 65.4 mm-40 -117.8 117.24 28.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.958 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 698' ' ' LEU . . . . . 0.653 HD11 HD13 ' A' ' 680' ' ' LEU . 15.7 mt -84.55 132.58 34.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.938 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 699' ' ' LYS . . . . . . . . . . . . . 8.6 ptpt -151.74 134.53 15.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 700' ' ' PHE . . . . . 0.694 ' CD2' ' CD1' ' A' ' 733' ' ' PHE . 3.4 m-85 -107.25 125.88 51.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.888 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 701' ' ' HIS . . . . . . . . . . . . . 29.2 m-70 -91.68 -55.43 3.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.878 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 702' ' ' GLU . . . . . 0.409 ' HB2' HG21 ' A' ' 710' ' ' ILE . 43.9 mm-40 -47.24 -43.43 21.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 703' ' ' ILE . . . . . 0.557 ' HB ' ' CE2' ' A' ' 733' ' ' PHE . 17.8 tt -46.29 -29.44 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.1 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 704' ' ' LEU . . . . . . . . . . . . . 17.5 mt -56.85 -40.19 75.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.945 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 705' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -103.46 -47.8 4.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 706' ' ' LYS . . . . . . . . . . . . . 85.2 mttt -89.99 -179.72 5.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 707' ' ' SER . . . . . . . . . . . . . 47.8 m -159.07 105.13 1.73 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.858 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 708' ' ' GLY . . . . . 0.4 ' C ' ' HA ' ' A' ' 734' ' ' ARG . . . 142.42 -153.34 24.41 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.536 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 709' ' ' ARG . . . . . 0.433 ' C ' HG13 ' A' ' 710' ' ' ILE . 13.0 ttm180 -61.55 116.7 4.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.776 0.322 . . . . 0.0 110.888 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 710' ' ' ILE . . . . . 0.492 HD12 ' CZ ' ' A' ' 733' ' ' PHE . 23.6 mt -141.27 114.6 4.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.109 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 711' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -58.61 117.29 4.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 712' ' ' CYS . . . . . . . . . . . . . 1.7 p -148.22 168.12 23.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.934 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 713' ' ' THR . . . . . . . . . . . . . 52.4 p -150.28 168.83 22.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.093 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 714' ' ' ALA . . . . . 0.63 ' O ' HG23 ' A' ' 728' ' ' THR . . . -137.65 153.86 49.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.094 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 715' ' ' SER . . . . . . . . . . . . . 41.3 p -93.43 160.4 14.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.856 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 716' ' ' LEU . . . . . . . . . . . . . 15.0 mt -125.02 140.03 53.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.938 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 717' ' ' ILE . . . . . 0.476 ' N ' HD12 ' A' ' 717' ' ' ILE . 4.6 mp -128.66 132.29 67.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.132 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 718' ' ' GLY . . . . . . . . . . . . . . . -74.78 137.84 22.94 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.49 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 719' ' ' THR . . . . . . . . . . . . . 19.7 p -78.03 -61.47 1.99 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.876 0.37 . . . . 0.0 111.141 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 720' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.39 42.85 0.77 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.94 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 721' ' ' GLY . . . . . . . . . . . . . . . -167.95 -31.36 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.458 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 722' ' ' ASP . . . . . . . . . . . . . 27.6 t70 65.41 41.72 4.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.781 0.324 . . . . 0.0 110.856 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 723' ' ' ILE . . . . . 0.409 HD13 ' HB3' ' A' ' 619' ' ' GLU . 67.3 mt -95.86 109.65 47.47 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.588 0.709 . . . . 0.0 111.12 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 724' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -32.53 18.3 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.67 2.246 . . . . 0.0 112.343 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 725' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -87.44 37.27 0.77 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.913 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 726' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -62.68 -50.44 71.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 727' ' ' GLY . . . . . . . . . . . . . . . 161.83 177.88 35.26 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.511 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 728' ' ' THR . . . . . 0.63 HG23 ' O ' ' A' ' 714' ' ' ALA . 7.8 m -126.68 147.27 49.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.823 0.344 . . . . 0.0 111.103 -179.818 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 729' ' ' VAL . . . . . 0.452 HG12 ' HB3' ' A' ' 714' ' ' ALA . 12.8 p -106.43 142.09 20.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.123 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -108.72 124.2 50.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.861 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 731' ' ' TYR . . . . . 0.423 ' CE2' HD22 ' A' ' 698' ' ' LEU . 4.7 p90 -156.34 163.7 39.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.92 -179.847 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 732' ' ' TRP . . . . . 0.584 ' CH2' ' OE2' ' A' ' 608' ' ' GLU . 57.6 p-90 -139.93 125.08 18.72 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.918 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 733' ' ' PHE . . . . . 0.694 ' CD1' ' CD2' ' A' ' 700' ' ' PHE . 38.0 p90 -106.13 158.03 17.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 734' ' ' ARG . . . . . 0.4 ' HA ' ' C ' ' A' ' 708' ' ' GLY . 51.3 ttt180 -148.9 116.31 6.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.827 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 735' ' ' LEU . . . . . . . . . . . . . 8.5 tp -113.65 104.81 12.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.925 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 736' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? -152.66 153.89 34.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.838 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 737' ' ' VAL . . . . . . . . . . . . . 8.1 p -57.65 137.09 20.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.129 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 738' ' ' SER . . . . . . . . . . . . . 24.4 p -75.15 133.58 41.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.826 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 739' ' ' GLY . . . . . . . . . . . . . . . -120.59 -141.12 6.18 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.455 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 740' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 101.97 0.97 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.729 2.286 . . . . 0.0 112.316 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 25.1 t -112.72 138.46 49.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 79.8 p -81.51 41.96 0.65 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.864 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 743' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.496 -179.995 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 588' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 79.2 p -161.1 157.16 25.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.906 0.384 . . . . 0.0 110.865 -179.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 590' ' ' SER . . . . . . . . . . . . . 66.6 m -75.81 163.05 27.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.9 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 591' ' ' GLY . . . . . . . . . . . . . . . 174.04 125.19 0.83 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.504 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 67.6 m -115.23 92.24 3.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.857 0.361 . . . . 0.0 110.836 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 3.2 m -39.53 -46.64 1.77 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.901 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 594' ' ' GLY . . . . . . . . . . . . . . . -178.96 73.57 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.52 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 595' ' ' ASP . . . . . . . . . . . . . 3.1 t0 69.47 25.04 5.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.761 0.315 . . . . 0.0 110.865 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 596' ' ' GLU . . . . . . . . . . . . . 48.8 mm-40 49.95 41.86 23.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.868 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 597' ' ' THR . . . . . . . . . . . . . 15.6 p -134.63 119.31 18.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.115 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 598' ' ' ILE . . . . . 0.458 HG22 ' CD2' ' A' ' 599' ' ' HIS . 59.5 mt -95.85 -55.05 6.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.171 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 599' ' ' HIS . . . . . 0.458 ' CD2' HG22 ' A' ' 598' ' ' ILE . 83.5 m-70 -130.65 162.72 28.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.85 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 600' ' ' LEU . . . . . 0.568 HD23 HH22 ' A' ' 736' ' ' ARG . 25.6 mt -121.11 113.29 19.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.957 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 601' ' ' GLU . . . . . 0.812 ' HB2' HG11 ' A' ' 737' ' ' VAL . 28.4 mm-40 -49.91 173.49 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 602' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -127.65 36.6 4.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 603' ' ' GLY . . . . . . . . . . . . . . . -119.07 -170.72 14.73 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.435 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 604' ' ' GLU . . . . . 0.795 ' CG ' HD11 ' A' ' 662' ' ' LEU . 3.2 tp10 -39.59 134.73 1.26 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.846 0.355 . . . . 0.0 110.897 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 605' ' ' ASN . . . . . . . . . . . . . 36.6 m-80 -115.1 165.16 13.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 606' ' ' LEU . . . . . 0.601 HD12 ' O ' ' A' ' 661' ' ' TYR . 5.5 tp -141.59 131.07 23.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.934 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 607' ' ' PHE . . . . . 0.423 ' CE2' HD11 ' A' ' 609' ' ' ILE . 9.8 t80 -120.33 134.17 55.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.851 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 608' ' ' GLU . . . . . 0.495 ' OE1' ' N ' ' A' ' 608' ' ' GLU . 13.6 pm0 -140.21 139.44 35.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.905 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 609' ' ' ILE . . . . . 0.423 HD11 ' CE2' ' A' ' 607' ' ' PHE . 5.3 mp -123.73 112.7 34.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.123 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 610' ' ' HIS . . . . . 0.691 ' HB2' HG23 ' A' ' 658' ' ' THR . 0.3 OUTLIER -96.91 134.34 40.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.816 179.9 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 45.5 mm -99.13 103.78 15.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.095 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 612' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -58.52 -66.33 0.51 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 613' ' ' LYS . . . . . . . . . . . . . 6.7 pttp -166.95 178.16 5.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 614' ' ' VAL . . . . . 0.499 HG23 ' HE2' ' A' ' 655' ' ' TYR . 98.1 t -125.61 127.81 71.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.114 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 615' ' ' THR . . . . . . . . . . . . . 31.3 m -108.64 143.89 37.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.13 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 616' ' ' PHE . . . . . 0.484 ' HB3' ' CG2' ' A' ' 620' ' ' VAL . 42.6 m-85 -124.07 167.83 13.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.895 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 617' ' ' SER . . . . . 0.494 ' O ' ' N ' ' A' ' 619' ' ' GLU . 23.2 t -114.24 154.95 27.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.865 -179.834 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 618' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 617' ' ' SER . 13.1 t -35.84 -30.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.8 -179.843 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 619' ' ' GLU . . . . . 0.494 ' N ' ' O ' ' A' ' 617' ' ' SER . 7.3 mm-40 -45.45 -68.47 0.19 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.858 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 620' ' ' VAL . . . . . 0.484 ' CG2' ' HB3' ' A' ' 616' ' ' PHE . 3.3 m -66.6 -44.01 90.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.109 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 621' ' ' LEU . . . . . 0.478 ' N ' ' CG2' ' A' ' 620' ' ' VAL . 12.5 mt -39.61 -41.04 0.98 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.925 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 622' ' ' GLN . . . . . . . . . . . . . 9.0 mm-40 -78.0 -43.71 28.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.915 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -49.58 -44.73 47.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.111 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 19.2 m -77.66 -62.46 1.66 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 625' ' ' GLY . . . . . . . . . . . . . . . 115.37 -149.49 18.84 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.478 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 626' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -85.22 43.42 1.01 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.902 0.382 . . . . 0.0 110.86 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 627' ' ' LYS . . . . . 0.401 ' O ' ' HD3' ' A' ' 629' ' ' PRO . 28.4 pttt -129.22 161.64 29.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 628' ' ' GLU . . . . . 0.431 ' HA ' ' HD2' ' A' ' 629' ' ' PRO . 35.0 mt-10 -97.22 103.16 14.45 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.661 0.743 . . . . 0.0 110.892 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 629' ' ' PRO . . . . . 0.431 ' HD2' ' HA ' ' A' ' 628' ' ' GLU . 54.1 Cg_endo -69.72 114.98 3.88 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.726 2.284 . . . . 0.0 112.37 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 630' ' ' VAL . . . . . 0.452 HG12 ' CG2' ' A' ' 647' ' ' VAL . 13.0 t -89.82 124.46 42.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.159 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 631' ' ' THR . . . . . 0.519 HG22 ' HG2' ' A' ' 684' ' ' GLN . 81.1 p -143.04 163.32 33.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.12 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 632' ' ' PHE . . . . . 0.403 ' CD1' ' O ' ' A' ' 632' ' ' PHE . 15.3 p90 -147.88 141.5 25.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 633' ' ' CYS . . . . . . . . . . . . . 35.2 m -90.4 154.66 19.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.838 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 634' ' ' THR . . . . . . . . . . . . . 6.3 p -154.17 132.81 12.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.164 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 635' ' ' TYR . . . . . . . . . . . . . 10.5 p90 -160.87 177.78 10.06 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.919 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 636' ' ' ALA . . . . . . . . . . . . . . . -151.14 155.13 38.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.114 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 637' ' ' PHE . . . . . 0.632 ' CE2' HG11 ' A' ' 663' ' ' VAL . 14.1 t80 -112.76 138.99 48.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.921 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 638' ' ' TYR . . . . . 0.574 ' HB2' ' CE2' ' A' ' 640' ' ' PHE . 16.9 m-85 42.84 40.49 2.13 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.915 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 639' ' ' ASP . . . . . . . . . . . . . 45.0 m-20 58.33 37.66 25.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.853 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 640' ' ' PHE . . . . . 0.574 ' CE2' ' HB2' ' A' ' 638' ' ' TYR . 16.6 m-85 -89.81 175.02 7.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.927 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -52.11 129.14 26.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 642' ' ' LEU . . . . . . . . . . . . . 8.3 tp -65.31 141.58 58.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.911 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 643' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -113.32 115.95 28.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 644' ' ' THR . . . . . . . . . . . . . 31.6 m -84.65 112.7 20.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.132 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 645' ' ' THR . . . . . . . . . . . . . 20.3 p -70.81 154.82 94.08 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.577 0.703 . . . . 0.0 111.127 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 646' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.85 106.24 1.64 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.669 2.246 . . . . 0.0 112.353 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 647' ' ' VAL . . . . . 0.51 HG23 ' O ' ' A' ' 631' ' ' THR . 11.4 p -68.79 135.69 27.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.146 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 12.0 t -129.75 145.51 35.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.108 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 649' ' ' ARG . . . . . . . . . . . . . 29.5 mtm180 -84.67 116.19 23.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.845 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 650' ' ' GLY . . . . . . . . . . . . . . . 151.74 176.49 24.54 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.464 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 651' ' ' LEU . . . . . 0.442 ' C ' ' HD3' ' A' ' 653' ' ' PRO . 38.1 mt -85.28 -59.21 2.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.816 0.341 . . . . 0.0 110.952 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 652' ' ' HIS . . . . . . . . . . . . . 4.1 m170 -111.39 66.31 0.61 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.603 0.716 . . . . 0.0 110.845 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 653' ' ' PRO . . . . . 0.442 ' HD3' ' C ' ' A' ' 651' ' ' LEU . 53.4 Cg_endo -69.79 163.8 36.94 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.663 2.242 . . . . 0.0 112.346 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -114.28 82.11 1.65 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.872 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 655' ' ' TYR . . . . . 0.499 ' HE2' HG23 ' A' ' 614' ' ' VAL . 31.4 m-85 -52.51 -56.53 14.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.92 -179.838 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 56.8 m-20 60.0 45.05 12.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.9 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 657' ' ' PHE . . . . . 0.564 ' CZ ' ' HB2' ' A' ' 659' ' ' SER . 51.9 t80 -104.13 124.14 48.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 658' ' ' THR . . . . . 0.691 HG23 ' HB2' ' A' ' 610' ' ' HIS . 0.7 OUTLIER -125.94 100.16 6.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.136 -179.95 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 659' ' ' SER . . . . . 0.564 ' HB2' ' CZ ' ' A' ' 657' ' ' PHE . 7.4 t -93.68 165.6 12.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.856 -179.844 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 660' ' ' GLN . . . . . 0.455 ' HB3' HD11 ' A' ' 606' ' ' LEU . 10.4 mt-30 -131.56 130.33 42.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.933 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 661' ' ' TYR . . . . . 0.601 ' O ' HD12 ' A' ' 606' ' ' LEU . 68.1 m-85 -125.77 119.66 28.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.948 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 662' ' ' LEU . . . . . 0.795 HD11 ' CG ' ' A' ' 604' ' ' GLU . 1.0 OUTLIER -79.15 109.82 13.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.957 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 663' ' ' VAL . . . . . 0.632 HG11 ' CE2' ' A' ' 637' ' ' PHE . 33.2 m -130.94 114.57 27.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.092 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 664' ' ' HIS . . . . . 0.742 ' O ' HG13 ' A' ' 665' ' ' VAL . 15.9 p-80 -94.23 102.55 14.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.871 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 665' ' ' VAL . . . . . 0.742 HG13 ' O ' ' A' ' 664' ' ' HIS . 4.5 m -165.51 165.53 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.113 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 666' ' ' ASN . . . . . . . . . . . . . 51.9 t30 -134.32 -63.01 0.73 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.896 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 667' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -81.2 -47.15 13.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.835 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 11.0 mp -57.99 -16.87 14.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 669' ' ' PHE . . . . . 0.441 ' HE1' HD11 ' A' ' 703' ' ' ILE . 19.3 t80 -77.9 -41.53 36.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 670' ' ' LEU . . . . . 0.42 HD22 HD23 ' A' ' 704' ' ' LEU . 15.0 mt -72.49 -59.82 2.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.975 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 671' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -54.17 -18.33 3.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.934 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 672' ' ' TYR . . . . . 0.457 ' CD1' ' C ' ' A' ' 672' ' ' TYR . 1.1 t80 -80.44 -35.18 35.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.962 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 673' ' ' ILE . . . . . 0.901 HD13 HG21 ' A' ' 703' ' ' ILE . 98.3 mt -78.52 -24.24 13.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.165 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 674' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -87.65 -61.93 1.61 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.906 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 675' ' ' LYS . . . . . . . . . . . . . 54.3 mttm -58.03 -62.41 1.84 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.847 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 676' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -103.85 166.8 10.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.858 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 677' ' ' THR . . . . . 0.605 HG21 ' NZ ' ' A' ' 699' ' ' LYS . 35.0 p -139.54 176.52 8.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.088 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 678' ' ' ILE . . . . . 0.412 HG22 ' N ' ' A' ' 679' ' ' THR . 12.8 mt -88.98 152.71 3.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.159 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 679' ' ' THR . . . . . 0.726 HG23 HE22 ' A' ' 697' ' ' GLN . 23.8 m -119.07 104.26 10.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.148 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 680' ' ' LEU . . . . . 0.634 ' O ' HD23 ' A' ' 680' ' ' LEU . 7.6 tt -120.69 104.36 9.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.947 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 681' ' ' GLU . . . . . 0.558 ' HB2' ' CE1' ' A' ' 683' ' ' HIS . 4.0 mp0 -107.19 143.35 35.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 682' ' ' VAL . . . . . . . . . . . . . 91.4 t -101.14 104.54 16.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.126 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 683' ' ' HIS . . . . . 0.558 ' CE1' ' HB2' ' A' ' 681' ' ' GLU . 10.8 m-70 -99.43 135.87 40.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.832 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 684' ' ' GLN . . . . . 0.519 ' HG2' HG22 ' A' ' 631' ' ' THR . 31.5 mt-30 -86.5 121.87 29.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.919 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -88.78 102.54 15.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.132 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 686' ' ' TYR . . . . . 0.553 ' CD2' ' O ' ' A' ' 689' ' ' GLU . 2.9 m-85 -79.4 168.92 18.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 -179.814 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 687' ' ' SER . . . . . . . . . . . . . 62.7 m -72.75 3.64 4.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.836 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 688' ' ' THR . . . . . . . . . . . . . 35.3 p -133.67 -63.58 0.74 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.158 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 689' ' ' GLU . . . . . 0.553 ' O ' ' CD2' ' A' ' 686' ' ' TYR . 6.2 tt0 -130.7 179.26 6.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 690' ' ' TYR . . . . . 0.477 ' CD1' ' N ' ' A' ' 690' ' ' TYR . 0.1 OUTLIER -139.96 136.36 33.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.926 -179.841 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 691' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -139.45 152.97 47.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.878 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 692' ' ' THR . . . . . . . . . . . . . 8.6 m -67.03 138.95 57.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.161 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 693' ' ' ILE . . . . . . . . . . . . . 5.9 pt -128.08 -27.58 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.104 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -145.42 150.04 35.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.155 179.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 695' ' ' ALA . . . . . . . . . . . . . . . -152.29 138.47 18.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.12 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 696' ' ' CYS . . . . . 0.525 ' HB3' HD23 ' A' ' 716' ' ' LEU . 11.5 p -149.96 164.46 35.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.887 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 697' ' ' GLN . . . . . 0.726 HE22 HG23 ' A' ' 679' ' ' THR . 53.3 mm-40 -115.24 111.7 21.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.95 -179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 698' ' ' LEU . . . . . 0.589 HD11 ' HB2' ' A' ' 680' ' ' LEU . 1.8 mt -74.45 136.35 42.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.902 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 699' ' ' LYS . . . . . 0.605 ' NZ ' HG21 ' A' ' 677' ' ' THR . 0.4 OUTLIER -153.7 130.96 11.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 179.832 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 700' ' ' PHE . . . . . 0.604 ' CD2' ' CE1' ' A' ' 733' ' ' PHE . 0.7 OUTLIER -109.88 124.97 52.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.843 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 701' ' ' HIS . . . . . . . . . . . . . 55.1 m-70 -89.42 -43.19 11.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.867 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 702' ' ' GLU . . . . . 0.78 ' HB2' HG21 ' A' ' 710' ' ' ILE . 5.6 mm-40 -50.55 -42.79 55.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 703' ' ' ILE . . . . . 0.901 HG21 HD13 ' A' ' 673' ' ' ILE . 8.9 tt -49.54 -17.34 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.104 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 704' ' ' LEU . . . . . 0.42 HD23 HD22 ' A' ' 670' ' ' LEU . 30.2 mt -75.58 -35.34 60.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.927 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 705' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -111.98 -51.07 2.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 706' ' ' LYS . . . . . . . . . . . . . 25.2 mttt -88.23 177.42 6.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.876 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 707' ' ' SER . . . . . . . . . . . . . 2.2 t -161.33 132.04 5.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.805 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 708' ' ' GLY . . . . . . . . . . . . . . . 107.35 -127.69 8.9 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.468 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 709' ' ' ARG . . . . . 0.423 ' C ' HG13 ' A' ' 710' ' ' ILE . 30.4 ttm180 -62.24 97.83 0.1 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.743 0.306 . . . . 0.0 110.893 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 710' ' ' ILE . . . . . 0.78 HG21 ' HB2' ' A' ' 702' ' ' GLU . 17.8 mt -140.48 115.3 6.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.159 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 711' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -93.65 140.41 29.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.843 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 712' ' ' CYS . . . . . . . . . . . . . 2.7 t -152.48 173.63 14.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.939 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 713' ' ' THR . . . . . . . . . . . . . 21.8 p -141.6 167.91 21.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.151 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 714' ' ' ALA . . . . . . . . . . . . . . . -150.24 140.86 22.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.137 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 715' ' ' SER . . . . . . . . . . . . . 48.0 m -80.74 162.29 24.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.891 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 716' ' ' LEU . . . . . 0.525 HD23 ' HB3' ' A' ' 696' ' ' CYS . 7.6 mt -131.44 133.96 45.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.965 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 717' ' ' ILE . . . . . 0.451 ' N ' HD12 ' A' ' 717' ' ' ILE . 4.3 mp -111.31 145.02 18.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.089 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 718' ' ' GLY . . . . . . . . . . . . . . . -79.01 127.96 8.3 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.525 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 719' ' ' THR . . . . . . . . . . . . . 17.4 p -49.68 -75.3 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.879 0.371 . . . . 0.0 111.164 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 720' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -103.03 30.85 4.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.89 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 721' ' ' GLY . . . . . . . . . . . . . . . -121.19 -19.34 3.58 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.507 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 722' ' ' ASP . . . . . . . . . . . . . 43.8 m-20 53.79 36.49 24.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.827 0.346 . . . . 0.0 110.868 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 723' ' ' ILE . . . . . . . . . . . . . 67.6 mt -104.43 106.34 53.72 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.631 0.729 . . . . 0.0 111.123 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 724' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -37.43 9.24 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.717 2.278 . . . . 0.0 112.339 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 725' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 -84.8 30.11 0.59 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 726' ' ' PHE . . . . . . . . . . . . . 8.9 t80 -52.57 -47.01 67.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 727' ' ' GLY . . . . . . . . . . . . . . . 159.65 157.99 8.9 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.504 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 728' ' ' THR . . . . . . . . . . . . . 2.5 m -107.25 142.98 36.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.822 0.344 . . . . 0.0 111.173 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 729' ' ' VAL . . . . . . . . . . . . . 13.0 p -103.72 138.47 28.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.122 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -110.46 102.81 11.4 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.861 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 731' ' ' TYR . . . . . . . . . . . . . 18.0 p90 -117.92 162.06 18.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 732' ' ' TRP . . . . . 0.568 ' CH2' ' HB3' ' A' ' 734' ' ' ARG . 80.0 t90 -139.65 124.59 18.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.907 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 733' ' ' PHE . . . . . 0.604 ' CE1' ' CD2' ' A' ' 700' ' ' PHE . 23.4 p90 -119.3 159.19 24.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 734' ' ' ARG . . . . . 0.568 ' HB3' ' CH2' ' A' ' 732' ' ' TRP . 8.6 ptt180 -148.04 122.18 9.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 735' ' ' LEU . . . . . . . . . . . . . 58.2 tp -108.49 104.63 14.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 736' ' ' ARG . . . . . 0.757 ' HE ' HG12 ' A' ' 737' ' ' VAL . 0.0 OUTLIER -138.26 115.02 10.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.909 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 737' ' ' VAL . . . . . 0.812 HG11 ' HB2' ' A' ' 601' ' ' GLU . 5.8 p -37.36 147.47 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.112 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 738' ' ' SER . . . . . . . . . . . . . 7.0 t -116.14 123.62 48.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.878 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 739' ' ' GLY . . . . . . . . . . . . . . . -66.22 125.68 27.3 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.542 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 740' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -47.69 0.88 Allowed 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.699 2.266 . . . . 0.0 112.326 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 5.1 t -95.53 -48.87 5.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.859 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 21.9 t -50.2 -59.03 4.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.864 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 743' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.483 179.996 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 588' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 N-CA-C 112.494 -0.243 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 90.7 p 40.39 43.38 1.47 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.862 0.363 . . . . 0.0 110.823 -179.725 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 590' ' ' SER . . . . . . . . . . . . . 50.6 p -41.85 -42.03 2.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.827 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 591' ' ' GLY . . . . . . . . . . . . . . . 141.01 161.89 8.88 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.495 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 27.5 p -151.92 132.0 13.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.88 0.371 . . . . 0.0 110.863 -179.739 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 40.9 m -93.38 134.54 35.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.877 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 594' ' ' GLY . . . . . . . . . . . . . . . 120.53 -94.07 0.55 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.502 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 595' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -98.99 117.41 33.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.786 0.327 . . . . 0.0 110.878 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 596' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -167.66 137.52 2.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 597' ' ' THR . . . . . . . . . . . . . 8.1 t -145.64 155.1 42.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.154 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 598' ' ' ILE . . . . . . . . . . . . . 50.0 mm -95.55 -46.78 13.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.117 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 599' ' ' HIS . . . . . 0.443 ' H ' ' CD2' ' A' ' 599' ' ' HIS . 7.4 p80 -69.68 107.34 3.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.857 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 600' ' ' LEU . . . . . . . . . . . . . 54.9 mt -144.66 110.75 5.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.935 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 601' ' ' GLU . . . . . 0.403 ' HB2' HG21 ' A' ' 737' ' ' VAL . 16.8 pt-20 -94.72 171.84 8.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 602' ' ' ARG . . . . . . . . . . . . . 5.7 ptp180 -133.32 -59.59 0.87 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.857 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 603' ' ' GLY . . . . . . . . . . . . . . . 178.01 -84.58 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.461 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 604' ' ' GLU . . . . . 0.428 ' CG ' HD11 ' A' ' 662' ' ' LEU . 0.0 OUTLIER -39.13 156.79 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.873 0.368 . . . . 0.0 110.896 -179.876 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 605' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 -114.19 170.47 8.26 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 606' ' ' LEU . . . . . . . . . . . . . 19.5 tp -142.61 138.63 30.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.936 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 607' ' ' PHE . . . . . 0.577 ' CZ ' ' HB2' ' A' ' 733' ' ' PHE . 27.0 t80 -122.55 108.13 12.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.894 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 608' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -96.74 139.05 33.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.888 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 609' ' ' ILE . . . . . 0.838 HD11 ' CD1' ' A' ' 637' ' ' PHE . 30.1 mt -134.87 107.96 9.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.132 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 610' ' ' HIS . . . . . 0.581 ' CD2' ' C ' ' A' ' 610' ' ' HIS . 0.3 OUTLIER -113.45 139.09 49.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.852 179.906 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 41.4 mm -102.14 125.54 56.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.088 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 612' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -78.1 -67.32 0.74 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.855 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 613' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.9 179.21 3.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.884 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 614' ' ' VAL . . . . . . . . . . . . . 98.7 t -130.88 116.16 33.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.172 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 615' ' ' THR . . . . . . . . . . . . . 44.8 m -87.8 138.05 31.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.112 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 616' ' ' PHE . . . . . 0.5 ' HB3' ' CG2' ' A' ' 620' ' ' VAL . 40.8 m-85 -113.98 167.25 10.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.922 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 617' ' ' SER . . . . . 0.464 ' O ' HG22 ' A' ' 620' ' ' VAL . 16.5 p -108.5 154.54 21.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.824 -179.763 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 618' ' ' SER . . . . . . . . . . . . . 81.2 p -41.9 -37.56 1.33 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.877 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 619' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -43.12 -67.65 0.26 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.887 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 620' ' ' VAL . . . . . 0.5 ' CG2' ' HB3' ' A' ' 616' ' ' PHE . 32.8 m -61.55 -29.81 46.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.107 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 621' ' ' LEU . . . . . 0.611 HD22 HD13 ' A' ' 651' ' ' LEU . 20.4 mt -62.16 -68.24 0.34 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 622' ' ' GLN . . . . . . . . . . . . . 3.5 mp0 -53.11 -44.61 67.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.933 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -52.65 -41.41 63.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.117 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 39.3 m -67.14 -69.16 0.33 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.825 -179.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 625' ' ' GLY . . . . . . . . . . . . . . . 125.58 -146.73 16.33 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.494 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 626' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -85.76 32.95 0.58 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.862 0.363 . . . . 0.0 110.869 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 39.7 mttp -146.92 121.08 9.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -74.37 118.68 71.79 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.661 0.743 . . . . 0.0 110.933 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 629' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 117.28 4.99 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.722 2.282 . . . . 0.0 112.342 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 630' ' ' VAL . . . . . . . . . . . . . 33.7 t -76.31 123.89 33.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.142 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 631' ' ' THR . . . . . 0.56 HG22 ' HG3' ' A' ' 684' ' ' GLN . 11.1 p -132.27 159.28 39.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.145 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 632' ' ' PHE . . . . . 0.649 ' CE1' ' NE2' ' A' ' 683' ' ' HIS . 39.5 p90 -144.31 136.96 26.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.851 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 633' ' ' CYS . . . . . 0.537 ' SG ' HG21 ' A' ' 645' ' ' THR . 0.8 OUTLIER -97.7 162.62 13.19 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.868 -179.956 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 634' ' ' THR . . . . . . . . . . . . . 32.5 p -154.39 136.86 15.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.11 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 635' ' ' TYR . . . . . 0.622 ' CD1' HD12 ' A' ' 680' ' ' LEU . 36.0 p90 -173.89 176.65 2.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.921 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 636' ' ' ALA . . . . . . . . . . . . . . . -151.65 161.8 42.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.109 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 637' ' ' PHE . . . . . 0.838 ' CD1' HD11 ' A' ' 609' ' ' ILE . 20.9 t80 -110.04 151.92 26.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.841 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 638' ' ' TYR . . . . . . . . . . . . . 4.0 t80 47.02 30.57 1.31 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.958 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 639' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 56.88 40.83 28.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.855 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 640' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -91.14 179.13 5.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -43.27 130.45 4.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.898 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 642' ' ' LEU . . . . . 0.448 HD13 ' C ' ' A' ' 642' ' ' LEU . 1.3 tm? -72.77 111.64 8.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.882 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 643' ' ' GLN . . . . . . . . . . . . . 6.8 mm-40 -98.96 133.49 43.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 644' ' ' THR . . . . . . . . . . . . . 98.2 m -93.16 128.19 39.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.134 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 645' ' ' THR . . . . . 0.537 HG21 ' SG ' ' A' ' 633' ' ' CYS . 16.6 p -69.54 151.88 96.5 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.622 0.725 . . . . 0.0 111.1 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 646' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 124.12 10.75 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.686 2.257 . . . . 0.0 112.316 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 647' ' ' VAL . . . . . . . . . . . . . 18.8 t -68.8 140.4 18.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.163 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 58.8 t -140.69 138.73 35.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.139 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 649' ' ' ARG . . . . . . . . . . . . . 76.9 mtm-85 -84.89 121.12 27.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.831 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 650' ' ' GLY . . . . . . . . . . . . . . . 142.94 170.26 12.79 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.474 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 651' ' ' LEU . . . . . 0.611 HD13 HD22 ' A' ' 621' ' ' LEU . 16.6 mt -88.91 -44.7 10.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.835 0.35 . . . . 0.0 110.905 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 652' ' ' HIS . . . . . . . . . . . . . 10.9 m-70 -113.26 67.56 1.17 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.54 0.686 . . . . 0.0 110.862 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 653' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 177.53 5.49 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.689 2.259 . . . . 0.0 112.338 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 654' ' ' GLU . . . . . 0.453 ' O ' ' C ' ' A' ' 655' ' ' TYR . 20.4 mt-10 -131.61 64.75 1.58 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.888 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 655' ' ' TYR . . . . . 0.453 ' C ' ' O ' ' A' ' 654' ' ' GLU . 89.8 m-85 -34.22 -62.15 0.34 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.966 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 656' ' ' ASN . . . . . 0.564 ' HA ' ' CE1' ' A' ' 610' ' ' HIS . 4.9 m-80 58.07 40.37 25.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.901 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 657' ' ' PHE . . . . . . . . . . . . . 36.5 t80 -88.58 141.7 28.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 26.9 m -119.18 126.4 51.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.128 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 1.1 t -119.1 128.6 54.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.846 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -120.58 113.6 20.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.859 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 661' ' ' TYR . . . . . . . . . . . . . 47.8 m-85 -124.53 112.15 16.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.95 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 662' ' ' LEU . . . . . 0.428 HD11 ' CG ' ' A' ' 604' ' ' GLU . 0.4 OUTLIER -72.78 111.4 7.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 663' ' ' VAL . . . . . . . . . . . . . 7.2 m -123.61 133.21 69.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.12 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 664' ' ' HIS . . . . . . . . . . . . . 16.3 p80 -107.43 97.47 7.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 665' ' ' VAL . . . . . 0.553 HG13 ' HD2' ' A' ' 669' ' ' PHE . 6.8 p -175.38 154.28 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.099 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 666' ' ' ASN . . . . . 0.444 ' N ' HG22 ' A' ' 665' ' ' VAL . 34.1 m-80 -130.54 -71.14 0.59 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.86 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 667' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -64.38 -53.64 45.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.841 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 668' ' ' LEU . . . . . 0.421 ' HB2' ' CG2' ' A' ' 665' ' ' VAL . 11.1 mp -60.88 -15.13 27.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.898 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 669' ' ' PHE . . . . . 0.553 ' HD2' HG13 ' A' ' 665' ' ' VAL . 6.2 t80 -68.84 -31.42 70.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.871 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 670' ' ' LEU . . . . . 0.423 ' O ' ' N ' ' A' ' 672' ' ' TYR . 48.5 mt -80.6 -63.38 1.42 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.876 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 671' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -40.25 -27.59 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.93 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 672' ' ' TYR . . . . . 0.423 ' N ' ' O ' ' A' ' 670' ' ' LEU . 28.0 t80 -71.88 -56.86 4.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 -179.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 673' ' ' ILE . . . . . 0.679 ' CD1' HD13 ' A' ' 703' ' ' ILE . 61.7 mt -59.57 -35.54 59.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.113 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 674' ' ' GLN . . . . . 0.468 ' HG3' ' CD2' ' A' ' 704' ' ' LEU . 19.5 mt-30 -71.3 -62.42 1.41 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 675' ' ' LYS . . . . . . . . . . . . . 50.8 mttp -57.87 -64.47 0.9 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 676' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -105.79 163.12 12.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.883 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 30.2 p -140.55 173.61 11.32 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.104 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 678' ' ' ILE . . . . . 0.497 ' O ' ' N ' ' A' ' 698' ' ' LEU . 4.8 mp -88.43 143.22 11.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.086 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 679' ' ' THR . . . . . 0.547 HG23 HE21 ' A' ' 697' ' ' GLN . 35.4 m -116.74 106.94 14.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.139 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 680' ' ' LEU . . . . . 0.778 ' O ' HD23 ' A' ' 680' ' ' LEU . 4.1 tt -118.15 106.44 12.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.941 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 681' ' ' GLU . . . . . 0.47 ' OE1' ' N ' ' A' ' 681' ' ' GLU . 3.4 mp0 -98.69 139.85 33.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.849 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 682' ' ' VAL . . . . . . . . . . . . . 93.3 t -97.57 98.15 7.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.119 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 683' ' ' HIS . . . . . 0.649 ' NE2' ' CE1' ' A' ' 632' ' ' PHE . 1.4 p-80 -97.44 129.79 44.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.808 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 684' ' ' GLN . . . . . 0.56 ' HG3' HG22 ' A' ' 631' ' ' THR . 42.8 tt0 -88.65 141.51 28.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.891 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -113.84 131.43 56.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.115 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 686' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -96.41 168.95 10.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.94 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 687' ' ' SER . . . . . . . . . . . . . 12.9 t -62.53 -6.81 3.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.851 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 688' ' ' THR . . . . . . . . . . . . . 35.2 p -119.49 -73.03 0.66 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.119 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 689' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -116.77 -176.02 2.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.848 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 690' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -145.66 141.39 28.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.912 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 691' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -149.71 155.61 40.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.911 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 692' ' ' THR . . . . . . . . . . . . . 51.8 m -72.12 134.71 45.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.147 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 693' ' ' ILE . . . . . . . . . . . . . 7.6 pt -124.37 -23.71 2.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.144 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -139.5 147.75 41.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.083 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 695' ' ' ALA . . . . . . . . . . . . . . . -145.87 124.2 12.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.135 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 696' ' ' CYS . . . . . . . . . . . . . 20.2 p -136.95 149.85 47.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.862 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 697' ' ' GLN . . . . . 0.547 HE21 HG23 ' A' ' 679' ' ' THR . 15.7 mp0 -102.53 117.69 35.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.942 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 698' ' ' LEU . . . . . 0.665 HD11 HD13 ' A' ' 680' ' ' LEU . 54.0 mt -77.77 127.24 32.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 699' ' ' LYS . . . . . . . . . . . . . 8.5 ptpt -155.37 137.31 14.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.898 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 700' ' ' PHE . . . . . 0.646 ' CD2' ' CD1' ' A' ' 733' ' ' PHE . 4.6 m-85 -112.67 125.01 53.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.853 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 701' ' ' HIS . . . . . . . . . . . . . 34.5 m-70 -89.15 -48.84 7.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.86 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 702' ' ' GLU . . . . . 0.409 ' CB ' HG21 ' A' ' 710' ' ' ILE . 17.7 mt-10 -50.15 -40.54 46.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 703' ' ' ILE . . . . . 0.679 HD13 ' CD1' ' A' ' 673' ' ' ILE . 13.5 tt -47.68 -19.1 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.131 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 704' ' ' LEU . . . . . 0.468 ' CD2' ' HG3' ' A' ' 674' ' ' GLN . 19.7 mt -79.55 -37.78 35.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.94 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 705' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -89.28 -46.75 8.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.865 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 706' ' ' LYS . . . . . 0.436 ' NZ ' HG12 ' A' ' 710' ' ' ILE . 1.7 ptmm? -121.39 169.2 10.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 707' ' ' SER . . . . . . . . . . . . . 50.9 m -144.86 127.86 16.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.866 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 708' ' ' GLY . . . . . 0.407 ' O ' ' N ' ' A' ' 710' ' ' ILE . . . 130.27 -135.29 8.24 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.499 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 709' ' ' ARG . . . . . . . . . . . . . 13.6 ptt180 -64.83 75.27 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.809 0.337 . . . . 0.0 110.848 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 710' ' ' ILE . . . . . 0.436 HG12 ' NZ ' ' A' ' 706' ' ' LYS . 26.1 mt -112.99 132.37 61.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.124 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 711' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -98.64 149.83 22.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 712' ' ' CYS . . . . . . . . . . . . . 17.9 m -161.89 174.97 12.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.862 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 713' ' ' THR . . . . . . . . . . . . . 24.6 p -148.7 167.58 25.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.126 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 714' ' ' ALA . . . . . . . . . . . . . . . -141.78 145.1 34.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.089 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 715' ' ' SER . . . . . . . . . . . . . 78.1 p -92.94 141.6 28.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 716' ' ' LEU . . . . . 0.527 ' C ' HD12 ' A' ' 717' ' ' ILE . 20.4 mt -106.28 149.35 26.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.904 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 717' ' ' ILE . . . . . 0.527 HD12 ' C ' ' A' ' 716' ' ' LEU . 4.8 mp -137.49 144.99 30.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.121 179.83 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 718' ' ' GLY . . . . . . . . . . . . . . . -85.07 149.75 24.31 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.493 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 719' ' ' THR . . . . . . . . . . . . . 43.7 p -91.19 -41.99 10.69 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.809 0.337 . . . . 0.0 111.123 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 720' ' ' LYS . . . . . 0.457 ' HE3' ' N ' ' A' ' 721' ' ' GLY . 0.0 OUTLIER -107.54 23.68 14.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.922 179.884 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 721' ' ' GLY . . . . . 0.457 ' N ' ' HE3' ' A' ' 720' ' ' LYS . . . -141.96 -34.1 0.11 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.471 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 722' ' ' ASP . . . . . . . . . . . . . 12.0 t70 67.33 34.99 4.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.82 0.343 . . . . 0.0 110.89 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 723' ' ' ILE . . . . . . . . . . . . . 72.7 mt -94.45 106.55 24.22 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.64 0.733 . . . . 0.0 111.148 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 724' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -27.12 26.93 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.7 2.267 . . . . 0.0 112.334 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 725' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -94.4 34.74 1.26 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.858 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 726' ' ' PHE . . . . . 0.481 ' CE1' HG11 ' A' ' 620' ' ' VAL . 4.1 t80 -61.23 -43.7 98.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 727' ' ' GLY . . . . . . . . . . . . . . . 158.81 154.24 7.12 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.479 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 728' ' ' THR . . . . . . . . . . . . . 15.0 m -105.53 148.49 27.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.84 0.353 . . . . 0.0 111.134 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 729' ' ' VAL . . . . . . . . . . . . . 7.6 p -109.72 138.6 36.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.099 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -109.33 136.29 49.01 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.891 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 731' ' ' TYR . . . . . . . . . . . . . 19.8 p90 -159.33 176.47 12.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.876 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 732' ' ' TRP . . . . . . . . . . . . . 60.0 p-90 -155.4 121.0 4.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.924 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 733' ' ' PHE . . . . . 0.646 ' CD1' ' CD2' ' A' ' 700' ' ' PHE . 30.8 p90 -105.98 147.77 28.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.868 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 734' ' ' ARG . . . . . . . . . . . . . 5.5 ptm180 -135.11 121.8 20.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.92 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 735' ' ' LEU . . . . . . . . . . . . . 42.1 tp -114.61 105.34 12.96 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.935 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 736' ' ' ARG . . . . . . . . . . . . . 2.7 tpm_? -154.75 151.17 28.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 737' ' ' VAL . . . . . 0.403 HG21 ' HB2' ' A' ' 601' ' ' GLU . 13.5 p -44.68 146.87 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.142 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 738' ' ' SER . . . . . . . . . . . . . 11.7 t -83.7 141.59 31.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.858 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 739' ' ' GLY . . . . . . . . . . . . . . . -136.24 -179.73 16.98 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.528 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 740' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 107.1 1.78 Allowed 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.756 2.304 . . . . 0.0 112.354 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 8.9 t -60.64 -59.24 5.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.916 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 94.2 p -50.42 -47.48 56.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.863 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 743' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.469 179.972 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 588' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 2.8 p -75.83 -34.12 60.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.838 0.351 . . . . 0.0 110.871 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 590' ' ' SER . . . . . . . . . . . . . 1.7 t 50.64 46.91 25.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.882 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 591' ' ' GLY . . . . . . . . . . . . . . . -165.58 133.62 3.02 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.504 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 2.1 m -61.55 148.75 41.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.906 0.384 . . . . 0.0 110.808 -179.71 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 21.6 m -118.56 165.09 14.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.874 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 594' ' ' GLY . . . . . . . . . . . . . . . -113.72 176.15 16.98 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.517 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 595' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -131.25 140.36 49.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.775 0.322 . . . . 0.0 110.875 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 596' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -133.13 122.12 23.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.93 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 597' ' ' THR . . . . . . . . . . . . . 39.0 p -110.08 113.18 25.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.155 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 598' ' ' ILE . . . . . . . . . . . . . 33.4 mt -96.19 -49.81 11.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.099 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 599' ' ' HIS . . . . . . . . . . . . . 31.7 m80 -118.03 132.95 56.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.871 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 600' ' ' LEU . . . . . 0.508 ' CD1' ' NH2' ' A' ' 602' ' ' ARG . 4.4 mm? -69.99 116.56 10.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 601' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -101.55 -11.93 18.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.892 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 602' ' ' ARG . . . . . 0.508 ' NH2' ' CD1' ' A' ' 600' ' ' LEU . 0.1 OUTLIER -57.57 92.87 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.861 -179.885 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 603' ' ' GLY . . . . . . . . . . . . . . . 171.43 -90.22 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.482 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 604' ' ' GLU . . . . . 0.641 ' HB3' HD11 ' A' ' 662' ' ' LEU . 35.6 mp0 -135.39 144.09 46.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.861 0.362 . . . . 0.0 110.918 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 605' ' ' ASN . . . . . . . . . . . . . 11.9 m-20 -122.48 144.39 49.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.887 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 606' ' ' LEU . . . . . 0.478 HD23 ' N ' ' A' ' 607' ' ' PHE . 3.4 tt -130.08 130.1 44.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 607' ' ' PHE . . . . . 0.484 ' CD2' HD13 ' A' ' 735' ' ' LEU . 0.6 OUTLIER -111.85 122.46 47.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 179.921 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 608' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -113.8 128.88 56.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.857 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 609' ' ' ILE . . . . . . . . . . . . . 56.4 mt -125.88 106.96 16.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.185 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 610' ' ' HIS . . . . . 0.413 ' HB3' ' CE2' ' A' ' 732' ' ' TRP . 6.9 t-80 -115.11 134.43 55.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 22.3 mm -100.76 125.0 54.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.115 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 612' ' ' ASN . . . . . . . . . . . . . 14.3 m-20 -78.38 -66.54 0.84 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 613' ' ' LYS . . . . . . . . . . . . . 12.9 pttp -169.54 176.85 4.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 614' ' ' VAL . . . . . . . . . . . . . 41.7 t -122.6 119.23 57.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.139 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 615' ' ' THR . . . . . . . . . . . . . 27.7 m -90.65 145.44 24.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.137 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 616' ' ' PHE . . . . . 0.472 ' HB3' ' CG2' ' A' ' 620' ' ' VAL . 25.3 m-85 -121.83 166.82 13.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.869 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 1.5 t -108.51 152.46 24.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.867 -179.76 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 618' ' ' SER . . . . . 0.443 ' HA ' HD12 ' A' ' 621' ' ' LEU . 92.6 p -42.07 -27.25 0.12 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.862 -179.853 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 619' ' ' GLU . . . . . . . . . . . . . 63.7 mm-40 -50.39 -69.74 0.1 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 620' ' ' VAL . . . . . 0.472 ' CG2' ' HB3' ' A' ' 616' ' ' PHE . 16.1 m -57.58 -31.52 39.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.134 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 621' ' ' LEU . . . . . 0.561 ' CD2' ' CD2' ' A' ' 651' ' ' LEU . 19.4 mt -58.97 -52.68 64.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 622' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -65.68 -52.53 50.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.922 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -54.58 -37.28 65.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.076 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 3.3 m -65.61 -75.14 0.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.848 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 625' ' ' GLY . . . . . . . . . . . . . . . 124.24 -144.87 15.63 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.487 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 626' ' ' ASP . . . . . . . . . . . . . 40.9 m-20 -86.11 33.72 0.61 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.806 0.336 . . . . 0.0 110.846 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 16.7 ptpt -136.6 177.54 7.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -131.3 122.86 19.28 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.672 0.748 . . . . 0.0 110.917 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 629' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 120.15 6.98 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.681 2.254 . . . . 0.0 112.376 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 630' ' ' VAL . . . . . 0.55 HG22 ' HA ' ' A' ' 649' ' ' ARG . 38.9 t -90.38 110.36 21.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.161 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 631' ' ' THR . . . . . 0.596 HG22 ' HG2' ' A' ' 684' ' ' GLN . 6.1 p -130.47 173.28 11.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.211 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 632' ' ' PHE . . . . . 0.449 ' CE2' ' CE1' ' A' ' 683' ' ' HIS . 6.1 p90 -152.88 152.05 31.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.885 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 633' ' ' CYS . . . . . . . . . . . . . 80.7 m -97.7 143.28 28.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 634' ' ' THR . . . . . . . . . . . . . 13.2 p -142.07 130.59 22.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.132 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 635' ' ' TYR . . . . . 0.554 ' CD1' HD12 ' A' ' 680' ' ' LEU . 16.3 p90 -172.02 170.46 5.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.938 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 636' ' ' ALA . . . . . . . . . . . . . . . -123.69 158.42 31.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.089 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 637' ' ' PHE . . . . . . . . . . . . . 83.8 t80 -112.98 144.2 42.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.866 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 638' ' ' TYR . . . . . 0.524 ' HB3' ' CE2' ' A' ' 640' ' ' PHE . 8.1 t80 39.18 37.86 0.28 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.911 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 639' ' ' ASP . . . . . . . . . . . . . 31.7 m-20 58.87 48.92 10.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.829 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 640' ' ' PHE . . . . . 0.524 ' CE2' ' HB3' ' A' ' 638' ' ' TYR . 17.3 m-85 -110.15 -177.75 3.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.837 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -46.93 143.51 2.9 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.937 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 642' ' ' LEU . . . . . 0.405 HD13 ' N ' ' A' ' 643' ' ' GLN . 0.8 OUTLIER -73.2 114.0 10.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.941 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 643' ' ' GLN . . . . . 0.405 ' N ' HD13 ' A' ' 642' ' ' LEU . 5.7 tp-100 -91.54 120.17 32.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 644' ' ' THR . . . . . . . . . . . . . 98.7 m -99.07 120.78 40.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.13 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 645' ' ' THR . . . . . . . . . . . . . 35.8 p -74.29 153.23 88.17 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.548 0.689 . . . . 0.0 111.176 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 646' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 129.14 17.04 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.643 2.229 . . . . 0.0 112.341 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 647' ' ' VAL . . . . . . . . . . . . . 24.4 t -69.32 139.5 20.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.095 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 59.3 t -142.66 136.18 27.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.139 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 649' ' ' ARG . . . . . 0.55 ' HA ' HG22 ' A' ' 630' ' ' VAL . 29.3 mtt180 -85.13 112.16 20.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.85 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 650' ' ' GLY . . . . . . . . . . . . . . . 159.5 166.63 18.82 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.516 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 651' ' ' LEU . . . . . 0.561 ' CD2' ' CD2' ' A' ' 621' ' ' LEU . 5.0 mp -95.46 -31.82 13.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.808 0.337 . . . . 0.0 110.904 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 652' ' ' HIS . . . . . . . . . . . . . 9.4 m-70 -129.75 57.05 27.94 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.606 0.717 . . . . 0.0 110.875 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 653' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 -178.33 2.27 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.717 2.278 . . . . 0.0 112.329 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -131.69 76.43 1.71 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 655' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -43.08 -53.17 5.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.903 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 57.84 37.44 26.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.833 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 657' ' ' PHE . . . . . 0.544 ' CZ ' ' OG ' ' A' ' 659' ' ' SER . 10.2 t80 -87.01 142.96 27.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.879 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 7.3 m -128.16 110.42 12.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.166 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 659' ' ' SER . . . . . 0.544 ' OG ' ' CZ ' ' A' ' 657' ' ' PHE . 3.5 m -120.85 108.43 13.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.85 -179.835 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 660' ' ' GLN . . . . . 0.421 ' HB2' HD21 ' A' ' 606' ' ' LEU . 15.4 pt20 -145.55 146.63 31.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.971 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 661' ' ' TYR . . . . . . . . . . . . . 68.5 m-85 -154.62 150.63 27.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.939 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 662' ' ' LEU . . . . . 0.641 HD11 ' HB3' ' A' ' 604' ' ' GLU . 0.8 OUTLIER -72.44 105.6 4.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.949 179.932 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 663' ' ' VAL . . . . . . . . . . . . . 9.7 m -107.53 123.4 62.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.091 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 664' ' ' HIS . . . . . . . . . . . . . 44.7 m-70 -87.22 100.72 12.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.868 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 665' ' ' VAL . . . . . 0.689 HG22 ' H ' ' A' ' 666' ' ' ASN . 3.8 p -149.9 174.65 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.097 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 666' ' ' ASN . . . . . 0.689 ' H ' HG22 ' A' ' 665' ' ' VAL . 6.1 m120 -126.62 -174.7 3.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.888 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 667' ' ' ASP . . . . . 0.431 ' C ' ' O ' ' A' ' 666' ' ' ASN . 7.5 t70 -34.93 -33.0 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 668' ' ' LEU . . . . . 0.483 ' N ' ' O ' ' A' ' 666' ' ' ASN . 55.0 mt -40.36 -47.36 2.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 669' ' ' PHE . . . . . 0.424 ' HB2' HG11 ' A' ' 665' ' ' VAL . 24.6 t80 -44.32 -54.13 6.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 670' ' ' LEU . . . . . 0.479 HD22 ' O ' ' A' ' 703' ' ' ILE . 80.5 mt -45.14 -52.89 8.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.928 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 671' ' ' GLN . . . . . 0.416 ' O ' ' CG ' ' A' ' 674' ' ' GLN . 74.6 mt-30 -46.75 -58.43 3.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.935 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 672' ' ' TYR . . . . . 0.506 ' CD1' ' C ' ' A' ' 672' ' ' TYR . 0.2 OUTLIER -37.94 -39.43 0.38 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.91 -179.882 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 673' ' ' ILE . . . . . . . . . . . . . 5.3 mm -53.61 -51.65 40.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.141 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 674' ' ' GLN . . . . . 0.416 ' CG ' ' O ' ' A' ' 671' ' ' GLN . 4.8 pt20 -73.58 -34.67 65.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.925 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 675' ' ' LYS . . . . . . . . . . . . . 23.6 mtpp -72.46 -71.81 0.27 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.885 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 676' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -116.93 128.79 55.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 23.3 p -101.16 178.2 4.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.114 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 678' ' ' ILE . . . . . . . . . . . . . 4.5 mp -94.24 138.43 20.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.163 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 6.3 m -110.45 100.8 9.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.13 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 680' ' ' LEU . . . . . 0.554 HD12 ' CD1' ' A' ' 635' ' ' TYR . 7.1 tt -107.16 114.86 29.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.913 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 681' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -107.91 144.21 35.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.869 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 682' ' ' VAL . . . . . . . . . . . . . 83.1 t -110.64 112.35 40.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.13 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 683' ' ' HIS . . . . . 0.449 ' CE1' ' CE2' ' A' ' 632' ' ' PHE . 0.1 OUTLIER -106.15 155.5 19.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.858 179.936 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 684' ' ' GLN . . . . . 0.75 ' HG3' HD13 ' A' ' 693' ' ' ILE . 18.8 mt-30 -92.37 154.16 18.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.884 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -108.39 109.12 20.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.135 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 686' ' ' TYR . . . . . 0.458 ' HB2' ' CG ' ' A' ' 689' ' ' GLU . 10.5 m-85 -95.84 168.08 10.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.975 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 687' ' ' SER . . . . . 0.448 ' C ' ' O ' ' A' ' 686' ' ' TYR . 60.6 p -34.54 -73.58 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.832 -179.814 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 688' ' ' THR . . . . . . . . . . . . . 2.3 t -125.59 14.17 8.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.144 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 689' ' ' GLU . . . . . 0.458 ' CG ' ' HB2' ' A' ' 686' ' ' TYR . 3.3 pt-20 -128.95 167.97 16.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.931 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 690' ' ' TYR . . . . . 0.403 ' CG ' ' C ' ' A' ' 689' ' ' GLU . 0.7 OUTLIER -154.11 138.54 16.76 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.943 -179.873 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 691' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -149.42 150.28 32.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.886 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 692' ' ' THR . . . . . . . . . . . . . 5.7 m -73.73 133.9 43.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.11 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 693' ' ' ILE . . . . . 0.75 HD13 ' HG3' ' A' ' 684' ' ' GLN . 10.9 pt -117.75 -28.74 2.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.179 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 694' ' ' ALA . . . . . 0.464 ' N ' HG13 ' A' ' 693' ' ' ILE . . . -142.48 152.64 42.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.09 179.8 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 695' ' ' ALA . . . . . . . . . . . . . . . -150.42 133.52 16.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.121 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 696' ' ' CYS . . . . . . . . . . . . . 20.0 p -153.35 178.63 9.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 697' ' ' GLN . . . . . 0.528 ' N ' ' CD ' ' A' ' 697' ' ' GLN . 0.0 OUTLIER -130.19 140.52 50.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.935 -179.924 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 698' ' ' LEU . . . . . 0.554 HD22 ' CE2' ' A' ' 731' ' ' TYR . 32.4 mt -94.87 104.63 16.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 699' ' ' LYS . . . . . . . . . . . . . 7.9 ptpt -124.3 130.05 51.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 179.79 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 700' ' ' PHE . . . . . 0.653 ' O ' HG22 ' A' ' 703' ' ' ILE . 2.4 m-85 -110.29 125.16 52.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.865 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 701' ' ' HIS . . . . . . . . . . . . . 40.1 m-70 -88.57 -51.56 5.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.886 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 702' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -52.39 -24.09 7.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.868 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 703' ' ' ILE . . . . . 0.653 HG22 ' O ' ' A' ' 700' ' ' PHE . 13.0 tt -66.14 -4.24 2.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.141 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 704' ' ' LEU . . . . . . . . . . . . . 29.3 mt -91.7 -29.16 16.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.935 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 705' ' ' GLU . . . . . 0.455 ' CG ' ' N ' ' A' ' 706' ' ' LYS . 6.6 pt-20 -107.14 -46.26 3.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.876 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 706' ' ' LYS . . . . . 0.455 ' N ' ' CG ' ' A' ' 705' ' ' GLU . 4.9 ptpp? -111.94 140.51 46.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 707' ' ' SER . . . . . . . . . . . . . 93.7 p -124.13 114.41 19.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.828 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 708' ' ' GLY . . . . . 0.445 ' O ' ' N ' ' A' ' 710' ' ' ILE . . . 132.95 -145.86 17.81 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.517 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 709' ' ' ARG . . . . . . . . . . . . . 5.7 tmm_? -44.7 93.46 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.833 0.349 . . . . 0.0 110.852 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 710' ' ' ILE . . . . . 0.445 ' N ' ' O ' ' A' ' 708' ' ' GLY . 25.5 mt -139.28 147.39 24.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.091 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 711' ' ' PHE . . . . . . . . . . . . . 80.2 m-85 -114.06 139.44 49.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 712' ' ' CYS . . . . . . . . . . . . . 13.4 t -156.4 163.4 39.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.85 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 713' ' ' THR . . . . . . . . . . . . . 34.2 p -142.03 163.52 32.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.142 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 714' ' ' ALA . . . . . . . . . . . . . . . -131.65 161.73 32.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.091 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 715' ' ' SER . . . . . . . . . . . . . 45.9 t -103.34 137.83 40.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 716' ' ' LEU . . . . . . . . . . . . . 19.1 mt -107.93 138.07 44.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.902 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 717' ' ' ILE . . . . . . . . . . . . . 4.0 mp -123.18 142.67 38.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.096 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 718' ' ' GLY . . . . . . . . . . . . . . . -88.72 150.67 21.82 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.503 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 719' ' ' THR . . . . . . . . . . . . . 79.9 p -91.22 -70.98 0.66 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.847 0.356 . . . . 0.0 111.123 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 720' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -77.3 56.12 1.3 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 721' ' ' GLY . . . . . . . . . . . . . . . 176.14 -26.69 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.467 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 722' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 59.59 53.55 4.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.747 0.308 . . . . 0.0 110.873 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 723' ' ' ILE . . . . . . . . . . . . . 79.1 mt -103.85 106.72 54.04 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.625 0.726 . . . . 0.0 111.154 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 724' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -34.27 15.06 Favored 'Trans proline' 0 N--CA 1.465 -0.178 0 C-N-CA 122.752 2.301 . . . . 0.0 112.338 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 725' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -93.85 29.86 1.97 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 726' ' ' PHE . . . . . . . . . . . . . 25.2 t80 -52.37 -46.87 66.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 727' ' ' GLY . . . . . . . . . . . . . . . 171.99 178.8 42.51 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.49 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 728' ' ' THR . . . . . . . . . . . . . 2.6 m -131.52 145.73 51.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.85 0.357 . . . . 0.0 111.14 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 729' ' ' VAL . . . . . 0.469 HG13 ' CE2' ' A' ' 731' ' ' TYR . 8.8 p -107.77 129.66 61.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.154 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -105.68 129.66 53.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 731' ' ' TYR . . . . . 0.554 ' CE2' HD22 ' A' ' 698' ' ' LEU . 0.9 OUTLIER -157.97 168.23 27.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.936 -179.866 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 732' ' ' TRP . . . . . 0.413 ' CE2' ' HB3' ' A' ' 610' ' ' HIS . 63.7 p-90 -141.49 134.9 29.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.906 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 733' ' ' PHE . . . . . 0.556 ' CD1' ' CD2' ' A' ' 700' ' ' PHE . 31.0 p90 -118.89 148.32 43.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.866 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 734' ' ' ARG . . . . . . . . . . . . . 18.9 ttm180 -147.05 113.14 5.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.872 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 735' ' ' LEU . . . . . 0.484 HD13 ' CD2' ' A' ' 607' ' ' PHE . 25.5 tp -115.35 106.77 14.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 736' ' ' ARG . . . . . . . . . . . . . 33.3 mmm-85 -148.2 161.36 41.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 737' ' ' VAL . . . . . . . . . . . . . 9.0 p -60.84 132.5 26.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.099 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 738' ' ' SER . . . . . . . . . . . . . 11.2 t -125.08 141.84 51.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.884 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 739' ' ' GLY . . . . . . . . . . . . . . . -51.48 142.56 19.28 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.481 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 740' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 96.23 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.686 2.257 . . . . 0.0 112.361 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 30.3 p -124.04 -28.35 3.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.846 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 50.8 m -100.69 135.47 42.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.876 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 743' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.52 179.984 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 588' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 6.1 m -49.5 -61.64 1.99 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.846 0.355 . . . . 0.0 110.855 -179.724 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 590' ' ' SER . . . . . . . . . . . . . 7.3 t -73.69 108.78 6.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 591' ' ' GLY . . . . . . . . . . . . . . . -103.64 151.01 17.7 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.509 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 78.4 p -143.58 174.2 10.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.864 0.364 . . . . 0.0 110.875 -179.732 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 53.3 m -117.61 -61.46 1.69 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.845 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 594' ' ' GLY . . . . . . . . . . . . . . . 140.12 -113.76 0.92 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.433 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 595' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -159.51 164.08 34.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.773 0.321 . . . . 0.0 110.89 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 596' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -152.04 128.83 10.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.879 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 597' ' ' THR . . . . . . . . . . . . . 11.9 t -143.96 151.35 39.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.152 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 598' ' ' ILE . . . . . 0.456 ' O ' ' CG ' ' A' ' 599' ' ' HIS . 18.8 mm -99.73 -60.78 2.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.132 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 599' ' ' HIS . . . . . 0.456 ' CG ' ' O ' ' A' ' 598' ' ' ILE . 81.4 m-70 -162.29 128.43 3.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.818 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 600' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -76.33 133.04 40.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.901 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 601' ' ' GLU . . . . . 0.542 ' HG3' ' N ' ' A' ' 602' ' ' ARG . 0.3 OUTLIER -108.8 150.31 27.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.932 179.893 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 602' ' ' ARG . . . . . 0.542 ' N ' ' HG3' ' A' ' 601' ' ' GLU . 1.9 mmp_? -90.99 145.46 24.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.866 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 603' ' ' GLY . . . . . . . . . . . . . . . 174.14 -134.17 2.76 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.462 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 604' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -66.54 171.25 5.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.895 0.379 . . . . 0.0 110.86 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 605' ' ' ASN . . . . . . . . . . . . . 19.9 m-80 -128.99 131.33 47.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.904 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 606' ' ' LEU . . . . . . . . . . . . . 53.1 tp -121.54 115.91 23.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.94 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 607' ' ' PHE . . . . . 0.794 ' CD2' ' CE2' ' A' ' 637' ' ' PHE . 7.6 t80 -110.79 132.71 53.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 608' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -147.08 133.71 19.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 609' ' ' ILE . . . . . 0.461 HD11 ' CE2' ' A' ' 607' ' ' PHE . 5.4 mp -115.48 116.26 51.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.156 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 610' ' ' HIS . . . . . 0.538 ' CE1' ' HA ' ' A' ' 656' ' ' ASN . 12.4 t60 -102.13 103.26 13.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 48.8 mm -70.05 108.45 2.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.157 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 612' ' ' ASN . . . . . . . . . . . . . 36.3 t-20 -64.12 -66.33 0.56 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 613' ' ' LYS . . . . . . . . . . . . . 14.6 pttp -170.46 160.79 7.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 614' ' ' VAL . . . . . 0.436 ' O ' HG13 ' A' ' 614' ' ' VAL . 11.0 p -106.1 124.22 61.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.089 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 615' ' ' THR . . . . . . . . . . . . . 41.7 m -94.37 148.6 22.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.127 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 616' ' ' PHE . . . . . 0.51 ' HB3' ' CG2' ' A' ' 620' ' ' VAL . 61.2 m-85 -127.73 151.01 49.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.862 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 617' ' ' SER . . . . . 0.449 ' O ' ' C ' ' A' ' 618' ' ' SER . 3.5 m -100.52 150.05 23.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.837 -179.762 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 618' ' ' SER . . . . . 0.562 ' HA ' HD12 ' A' ' 621' ' ' LEU . 29.2 m -34.13 -39.65 0.08 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.833 -179.844 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 619' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -38.32 -67.27 0.21 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.917 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 620' ' ' VAL . . . . . 0.514 ' O ' ' HB3' ' A' ' 623' ' ' ALA . 23.8 m -68.47 -46.46 80.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.13 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 621' ' ' LEU . . . . . 0.562 HD12 ' HA ' ' A' ' 618' ' ' SER . 40.0 mt -43.26 -64.91 0.56 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 622' ' ' GLN . . . . . . . . . . . . . 34.7 mm-40 -51.46 -44.82 62.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 623' ' ' ALA . . . . . 0.514 ' HB3' ' O ' ' A' ' 620' ' ' VAL . . . -43.82 -46.59 7.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.129 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 13.3 t -69.02 -59.59 2.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.879 -179.763 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 625' ' ' GLY . . . . . . . . . . . . . . . 80.99 106.64 0.31 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.498 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 626' ' ' ASP . . . . . . . . . . . . . 14.6 t0 42.81 29.16 0.16 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.836 0.351 . . . . 0.0 110.858 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 22.3 mttm -143.76 142.19 30.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.911 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -112.02 116.77 49.06 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.649 0.738 . . . . 0.0 110.822 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 629' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 142.51 47.99 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.659 2.239 . . . . 0.0 112.339 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 630' ' ' VAL . . . . . . . . . . . . . 16.7 t -104.16 112.84 39.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.188 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 631' ' ' THR . . . . . 0.54 HG22 ' HA ' ' A' ' 684' ' ' GLN . 21.0 p -135.21 175.2 9.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.105 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 632' ' ' PHE . . . . . 0.712 ' CZ ' ' CD2' ' A' ' 683' ' ' HIS . 3.4 p90 -148.93 157.42 43.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 633' ' ' CYS . . . . . 0.477 ' SG ' HG22 ' A' ' 682' ' ' VAL . 89.4 m -108.56 137.22 46.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 634' ' ' THR . . . . . . . . . . . . . 41.1 p -138.69 127.42 23.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.089 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 635' ' ' TYR . . . . . 0.545 ' CD1' HD12 ' A' ' 680' ' ' LEU . 11.4 p90 -169.23 165.41 10.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 636' ' ' ALA . . . . . 0.4 ' HB2' HD12 ' A' ' 642' ' ' LEU . . . -118.24 161.96 19.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.125 179.857 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 637' ' ' PHE . . . . . 0.794 ' CE2' ' CD2' ' A' ' 607' ' ' PHE . 26.6 t80 -121.86 124.14 43.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.904 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 638' ' ' TYR . . . . . . . . . . . . . 7.1 t80 59.21 32.24 21.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.889 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 639' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 62.72 53.75 2.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 640' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -113.84 174.87 5.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -54.4 115.47 2.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.85 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 642' ' ' LEU . . . . . 0.4 HD12 ' HB2' ' A' ' 636' ' ' ALA . 2.1 tp -47.7 143.48 3.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.897 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 643' ' ' GLN . . . . . . . . . . . . . 2.7 tp60 -117.31 114.48 23.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.908 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 644' ' ' THR . . . . . . . . . . . . . 57.3 m -81.89 112.34 18.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.135 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 645' ' ' THR . . . . . . . . . . . . . 72.4 p -73.82 152.97 89.16 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.604 0.716 . . . . 0.0 111.115 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 646' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 122.68 9.35 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.665 2.243 . . . . 0.0 112.349 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 647' ' ' VAL . . . . . 0.624 HG22 ' HB3' ' A' ' 632' ' ' PHE . 74.7 t -68.25 132.46 32.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.119 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 78.7 t -131.37 130.74 63.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.094 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 649' ' ' ARG . . . . . . . . . . . . . 8.1 ptt180 -85.38 120.82 27.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.906 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 650' ' ' GLY . . . . . . . . . . . . . . . 147.87 146.12 4.29 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.457 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 651' ' ' LEU . . . . . 0.522 HD22 ' CD2' ' A' ' 621' ' ' LEU . 42.5 mt -61.04 -44.97 96.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.877 0.37 . . . . 0.0 110.914 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 652' ' ' HIS . . . . . . . . . . . . . 14.5 m-70 -113.9 75.65 2.96 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.557 0.694 . . . . 0.0 110.895 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 653' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 169.97 17.72 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.631 2.221 . . . . 0.0 112.322 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 31.9 mp0 -128.94 69.63 1.4 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.934 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 655' ' ' TYR . . . . . . . . . . . . . 68.3 m-85 -42.09 -65.16 0.49 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.943 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 656' ' ' ASN . . . . . 0.538 ' HA ' ' CE1' ' A' ' 610' ' ' HIS . 24.3 m-80 50.24 41.91 24.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.856 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 657' ' ' PHE . . . . . . . . . . . . . 24.8 t80 -102.21 139.22 38.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.948 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 14.6 m -125.79 145.98 49.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.124 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 2.1 t -144.65 125.03 13.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -103.38 138.09 40.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.912 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 661' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -148.69 121.12 8.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.903 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 662' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -77.78 115.75 17.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.944 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 663' ' ' VAL . . . . . 0.473 ' O ' HG23 ' A' ' 663' ' ' VAL . 20.3 m -124.46 115.58 45.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.129 179.844 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 664' ' ' HIS . . . . . 0.514 ' CG ' ' O ' ' A' ' 664' ' ' HIS . 47.7 p-80 -84.43 97.84 9.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 665' ' ' VAL . . . . . 0.491 ' CG2' ' HB2' ' A' ' 668' ' ' LEU . 9.8 p -174.97 152.14 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.145 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 666' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -130.74 -71.26 0.59 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.931 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 667' ' ' ASP . . . . . 0.401 ' C ' ' N ' ' A' ' 669' ' ' PHE . 0.5 OUTLIER -60.91 -63.49 1.28 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.865 179.918 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 668' ' ' LEU . . . . . 0.491 ' HB2' ' CG2' ' A' ' 665' ' ' VAL . 4.0 mm? -44.93 -22.36 0.09 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.907 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 669' ' ' PHE . . . . . 0.438 ' O ' ' CD2' ' A' ' 672' ' ' TYR . 1.0 OUTLIER -65.33 -49.34 69.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 670' ' ' LEU . . . . . 0.478 HD22 ' HA ' ' A' ' 704' ' ' LEU . 18.9 mt -78.83 -30.0 45.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.922 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 671' ' ' GLN . . . . . . . . . . . . . 58.5 mt-30 -63.64 -46.06 87.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.941 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 672' ' ' TYR . . . . . 0.657 ' CD1' ' C ' ' A' ' 672' ' ' TYR . 0.1 OUTLIER -65.23 -34.9 79.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 -179.851 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 673' ' ' ILE . . . . . 0.633 HD13 HG21 ' A' ' 703' ' ' ILE . 75.2 mt -74.86 -37.36 41.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.093 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 674' ' ' GLN . . . . . 0.484 ' CG ' HD22 ' A' ' 704' ' ' LEU . 9.3 mt-30 -74.6 -45.06 47.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.951 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 675' ' ' LYS . . . . . . . . . . . . . 31.2 mttm -76.58 -68.55 0.58 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 676' ' ' ASN . . . . . . . . . . . . . 5.8 m-80 -97.34 175.22 6.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.899 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 4.4 p -140.61 175.36 9.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.179 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 678' ' ' ILE . . . . . . . . . . . . . 23.6 mt -94.88 143.28 12.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.149 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 28.2 m -117.73 111.16 18.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.14 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 680' ' ' LEU . . . . . 0.673 ' O ' HD23 ' A' ' 680' ' ' LEU . 4.8 tt -115.48 109.71 18.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.999 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 681' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -101.0 144.62 29.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 682' ' ' VAL . . . . . 0.477 HG22 ' SG ' ' A' ' 633' ' ' CYS . 92.7 t -119.44 112.19 36.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.131 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 683' ' ' HIS . . . . . 0.712 ' CD2' ' CZ ' ' A' ' 632' ' ' PHE . 4.8 p-80 -105.36 163.51 12.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 684' ' ' GLN . . . . . 0.54 ' HA ' HG22 ' A' ' 631' ' ' THR . 33.5 tt0 -100.26 152.58 20.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.958 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -96.64 123.52 40.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.045 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 686' ' ' TYR . . . . . 0.53 ' CE1' ' HB3' ' A' ' 684' ' ' GLN . 9.5 m-85 -116.34 168.41 10.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.962 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 687' ' ' SER . . . . . . . . . . . . . 32.8 p -38.52 -69.7 0.12 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.858 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 688' ' ' THR . . . . . . . . . . . . . 63.6 p -134.1 27.53 3.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.094 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 689' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -141.48 169.4 17.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.908 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 690' ' ' TYR . . . . . . . . . . . . . 37.4 m-85 -153.78 140.74 19.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 691' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -149.59 149.74 31.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.906 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 692' ' ' THR . . . . . . . . . . . . . 31.0 m -92.7 113.81 26.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.14 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 693' ' ' ILE . . . . . 0.547 HD13 ' H ' ' A' ' 693' ' ' ILE . 0.2 OUTLIER -98.57 -16.77 6.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.139 179.923 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -138.07 161.01 37.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.095 179.775 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 695' ' ' ALA . . . . . . . . . . . . . . . -168.97 137.26 2.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.079 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 696' ' ' CYS . . . . . . . . . . . . . 18.0 p -151.33 178.7 9.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 697' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -131.66 116.42 17.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.931 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 698' ' ' LEU . . . . . 0.633 HD22 ' CE2' ' A' ' 731' ' ' TYR . 27.6 mt -74.89 138.02 42.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 699' ' ' LYS . . . . . . . . . . . . . 7.8 ptpp? -154.31 133.28 12.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.849 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 700' ' ' PHE . . . . . 0.578 ' CD1' ' CE1' ' A' ' 733' ' ' PHE . 3.3 m-85 -110.97 124.64 52.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.868 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 701' ' ' HIS . . . . . . . . . . . . . 40.9 m-70 -88.9 -47.08 8.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.86 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 702' ' ' GLU . . . . . 0.584 ' HB2' HG21 ' A' ' 710' ' ' ILE . 2.1 mp0 -53.38 -43.48 67.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.885 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 703' ' ' ILE . . . . . 0.633 HG21 HD13 ' A' ' 673' ' ' ILE . 13.4 tt -47.96 -18.46 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.15 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 704' ' ' LEU . . . . . 0.484 HD22 ' CG ' ' A' ' 674' ' ' GLN . 50.6 mt -76.29 -47.09 24.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.942 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 705' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -98.42 -48.9 4.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.914 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 706' ' ' LYS . . . . . 0.407 ' N ' ' O ' ' A' ' 702' ' ' GLU . 46.5 mttm -88.09 169.79 11.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.937 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 707' ' ' SER . . . . . . . . . . . . . 11.1 t -146.54 133.53 20.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.832 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 708' ' ' GLY . . . . . . . . . . . . . . . 113.39 -147.38 18.58 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.445 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 709' ' ' ARG . . . . . 0.437 ' C ' HG13 ' A' ' 710' ' ' ILE . 8.4 ptp180 -67.87 126.28 28.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.779 0.323 . . . . 0.0 110.866 -179.859 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 710' ' ' ILE . . . . . 0.584 HG21 ' HB2' ' A' ' 702' ' ' GLU . 49.5 mt -145.08 132.54 16.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.099 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 711' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -84.69 132.64 34.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 712' ' ' CYS . . . . . . . . . . . . . 13.6 t -162.35 165.13 26.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 713' ' ' THR . . . . . . . . . . . . . 34.8 p -145.56 168.82 19.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.134 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 714' ' ' ALA . . . . . 0.526 ' HB3' ' CG1' ' A' ' 729' ' ' VAL . . . -139.13 146.37 40.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.131 179.863 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 715' ' ' SER . . . . . . . . . . . . . 3.2 t -90.45 151.58 21.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.831 -179.74 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 716' ' ' LEU . . . . . . . . . . . . . 9.0 mt -118.9 143.3 47.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.898 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 717' ' ' ILE . . . . . . . . . . . . . 5.1 mp -129.31 147.9 33.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.118 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 718' ' ' GLY . . . . . . . . . . . . . . . -80.06 145.59 27.18 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.466 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 719' ' ' THR . . . . . . . . . . . . . 40.2 p -79.56 -57.54 3.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.86 0.362 . . . . 0.0 111.165 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 720' ' ' LYS . . . . . . . . . . . . . 22.7 mtmt -83.04 -47.88 11.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.93 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 721' ' ' GLY . . . . . . . . . . . . . . . -68.97 -27.67 73.7 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.515 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 722' ' ' ASP . . . . . . . . . . . . . 32.9 m-20 60.79 38.92 17.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.789 0.328 . . . . 0.0 110.882 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 723' ' ' ILE . . . . . . . . . . . . . 34.1 mt -90.0 116.61 66.78 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.673 0.749 . . . . 0.0 111.121 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 724' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 -33.81 15.73 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.645 2.23 . . . . 0.0 112.348 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 725' ' ' ASN . . . . . . . . . . . . . 76.1 m-20 -93.82 45.77 1.16 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 726' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -66.78 -44.14 82.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.854 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 727' ' ' GLY . . . . . . . . . . . . . . . 160.57 164.6 15.84 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.537 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 728' ' ' THR . . . . . . . . . . . . . 8.6 m -114.99 146.53 41.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.846 0.355 . . . . 0.0 111.167 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 729' ' ' VAL . . . . . 0.526 ' CG1' ' HB3' ' A' ' 714' ' ' ALA . 14.2 p -105.62 142.46 18.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.124 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -115.89 127.83 55.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.875 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 731' ' ' TYR . . . . . 0.633 ' CE2' HD22 ' A' ' 698' ' ' LEU . 3.1 p90 -157.6 174.56 15.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.949 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 732' ' ' TRP . . . . . 0.455 ' HE1' ' CD2' ' A' ' 610' ' ' HIS . 45.7 p-90 -155.21 123.67 5.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.91 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 733' ' ' PHE . . . . . 0.578 ' CE1' ' CD1' ' A' ' 700' ' ' PHE . 13.0 p90 -102.19 157.85 16.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.914 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 734' ' ' ARG . . . . . . . . . . . . . 24.7 ttp180 -144.79 117.47 8.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.863 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 735' ' ' LEU . . . . . . . . . . . . . 45.7 tp -116.21 104.77 11.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.95 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 736' ' ' ARG . . . . . . . . . . . . . 34.8 ttm180 -147.89 153.27 38.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 737' ' ' VAL . . . . . 0.592 HG22 ' H ' ' A' ' 739' ' ' GLY . 10.0 p -47.36 151.21 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.154 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 738' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -130.41 31.65 4.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.843 -179.824 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 739' ' ' GLY . . . . . 0.592 ' H ' HG22 ' A' ' 737' ' ' VAL . . . 68.51 133.84 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.534 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 740' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 167.51 24.27 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.657 2.238 . . . . 0.0 112.339 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 15.2 t -173.95 152.86 2.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.867 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 3.4 m 59.22 43.73 16.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.894 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 743' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.506 179.999 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 588' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 61.5 m -152.9 154.63 35.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.837 0.351 . . . . 0.0 110.893 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 590' ' ' SER . . . . . . . . . . . . . 3.6 m -108.38 177.44 4.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.884 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 591' ' ' GLY . . . . . . . . . . . . . . . -150.39 -175.42 22.44 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.517 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 71.2 p -110.88 170.7 7.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.905 0.383 . . . . 0.0 110.852 -179.725 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 35.9 t -44.16 161.18 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.821 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 594' ' ' GLY . . . . . . . . . . . . . . . -73.27 143.41 32.99 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.513 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 595' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -105.92 4.35 29.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.749 0.309 . . . . 0.0 110.87 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 596' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -88.82 42.63 1.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.913 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 597' ' ' THR . . . . . . . . . . . . . 64.5 p -107.86 114.54 28.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.2 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 598' ' ' ILE . . . . . 0.768 ' H ' HD12 ' A' ' 598' ' ' ILE . 5.4 mp -44.45 -49.73 2.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.111 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 599' ' ' HIS . . . . . . . . . . . . . 15.6 m-70 -95.85 87.74 4.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.864 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 600' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -45.4 150.99 0.41 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 601' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -100.0 150.78 22.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 602' ' ' ARG . . . . . . . . . . . . . 3.9 ppt_? -143.77 152.83 41.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.857 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 603' ' ' GLY . . . . . . . . . . . . . . . 135.54 -115.26 1.33 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.495 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 604' ' ' GLU . . . . . 0.787 ' HG3' HD11 ' A' ' 662' ' ' LEU . 3.0 tp10 -45.6 121.63 3.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.855 0.359 . . . . 0.0 110.874 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 605' ' ' ASN . . . . . 0.451 ' ND2' ' OD1' ' A' ' 666' ' ' ASN . 90.8 m-20 -130.88 156.36 45.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.908 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 606' ' ' LEU . . . . . 0.549 ' O ' HD23 ' A' ' 606' ' ' LEU . 6.5 tt -126.49 114.68 18.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 607' ' ' PHE . . . . . 0.757 ' CD1' HD21 ' A' ' 735' ' ' LEU . 42.8 t80 -95.94 131.6 42.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.892 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 608' ' ' GLU . . . . . 0.449 ' OE2' ' CZ3' ' A' ' 732' ' ' TRP . 1.2 pp20? -141.18 139.03 33.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.863 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 609' ' ' ILE . . . . . 0.568 HD11 ' HE2' ' A' ' 607' ' ' PHE . 88.6 mt -119.96 125.77 74.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.13 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 610' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -125.44 106.52 9.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.842 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 44.0 mm -83.31 112.72 21.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.152 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 612' ' ' ASN . . . . . . . . . . . . . 32.0 m120 -67.13 -67.44 0.45 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 613' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.91 173.97 9.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.845 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 614' ' ' VAL . . . . . 0.64 HG22 HG23 ' A' ' 729' ' ' VAL . 87.3 t -128.15 136.32 60.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.142 179.849 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 615' ' ' THR . . . . . . . . . . . . . 26.1 m -107.78 143.16 36.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.178 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 616' ' ' PHE . . . . . 0.481 ' CD1' HG11 ' A' ' 620' ' ' VAL . 46.2 m-85 -117.46 155.23 30.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.91 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 617' ' ' SER . . . . . 0.449 ' CB ' ' O ' ' A' ' 725' ' ' ASN . 1.0 OUTLIER -99.94 154.22 18.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 -179.821 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 618' ' ' SER . . . . . 0.564 ' HA ' HD12 ' A' ' 621' ' ' LEU . 32.4 m -34.14 -61.92 0.34 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.836 -179.846 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 619' ' ' GLU . . . . . . . . . . . . . 6.0 mp0 -39.3 -43.69 1.18 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.87 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 620' ' ' VAL . . . . . 0.481 HG11 ' CD1' ' A' ' 616' ' ' PHE . 10.1 t -79.03 -38.61 20.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.121 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 621' ' ' LEU . . . . . 0.564 HD12 ' HA ' ' A' ' 618' ' ' SER . 69.8 mt -57.69 -49.2 77.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.928 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 622' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -65.08 -47.25 77.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -44.78 -45.35 9.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.102 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 60.0 p -60.54 -48.91 79.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.848 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 625' ' ' GLY . . . . . . . . . . . . . . . 95.14 -152.65 20.52 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.479 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 626' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -91.41 45.93 1.27 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.873 0.368 . . . . 0.0 110.872 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 10.2 ptpp? -142.66 172.64 12.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.935 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 628' ' ' GLU . . . . . 0.43 ' HA ' ' HD2' ' A' ' 629' ' ' PRO . 7.2 mp0 -113.32 93.13 25.12 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.595 0.712 . . . . 0.0 110.896 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 629' ' ' PRO . . . . . 0.43 ' HD2' ' HA ' ' A' ' 628' ' ' GLU . 54.0 Cg_endo -69.77 110.0 2.45 Favored 'Trans proline' 0 N--CA 1.465 -0.162 0 C-N-CA 122.695 2.263 . . . . 0.0 112.386 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 630' ' ' VAL . . . . . 0.757 HG22 ' HB3' ' A' ' 649' ' ' ARG . 13.2 t -74.42 133.45 31.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.153 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 631' ' ' THR . . . . . 0.777 HG22 ' HA ' ' A' ' 684' ' ' GLN . 43.9 p -142.12 162.56 35.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.114 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 632' ' ' PHE . . . . . 0.539 ' CE2' ' NE2' ' A' ' 683' ' ' HIS . 43.0 p90 -149.22 140.99 23.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.914 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 633' ' ' CYS . . . . . . . . . . . . . 73.6 m -89.77 155.26 19.31 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.907 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 634' ' ' THR . . . . . 0.424 ' HB ' HD11 ' A' ' 642' ' ' LEU . 45.6 p -146.43 122.82 10.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.124 -179.847 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 635' ' ' TYR . . . . . 0.404 ' O ' HD13 ' A' ' 642' ' ' LEU . 4.5 p90 -145.42 158.34 43.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 636' ' ' ALA . . . . . 0.711 ' HB2' HD22 ' A' ' 642' ' ' LEU . . . -119.47 158.39 26.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.073 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 637' ' ' PHE . . . . . 0.534 ' O ' ' C ' ' A' ' 638' ' ' TYR . 2.3 t80 -119.07 157.81 27.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 638' ' ' TYR . . . . . 0.609 ' O ' ' CD2' ' A' ' 640' ' ' PHE . 2.2 m-85 -25.96 108.71 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.935 -179.864 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 639' ' ' ASP . . . . . 0.446 ' C ' ' O ' ' A' ' 638' ' ' TYR . 2.4 m-20 34.78 54.07 0.67 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.819 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 640' ' ' PHE . . . . . 0.609 ' CD2' ' O ' ' A' ' 638' ' ' TYR . 20.0 m-85 -126.31 176.29 7.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.874 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -81.13 133.73 35.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.884 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 642' ' ' LEU . . . . . 0.711 HD22 ' HB2' ' A' ' 636' ' ' ALA . 0.2 OUTLIER -55.58 110.47 0.71 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 643' ' ' GLN . . . . . . . . . . . . . 7.0 tp-100 -81.26 115.78 20.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.961 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 644' ' ' THR . . . . . . . . . . . . . 92.9 m -96.07 113.22 24.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.124 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 645' ' ' THR . . . . . . . . . . . . . 2.6 p -60.54 157.54 36.04 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.539 0.685 . . . . 0.0 111.154 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 646' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 139.64 40.77 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.676 2.25 . . . . 0.0 112.366 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 647' ' ' VAL . . . . . 0.414 ' CG1' HG11 ' A' ' 630' ' ' VAL . 88.9 t -68.7 132.27 33.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.115 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 8.4 m -144.74 125.86 8.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.059 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 649' ' ' ARG . . . . . 0.757 ' HB3' HG22 ' A' ' 630' ' ' VAL . 11.0 ptm180 -90.84 153.13 20.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.82 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 650' ' ' GLY . . . . . . . . . . . . . . . 123.78 -176.52 16.79 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.529 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 651' ' ' LEU . . . . . 0.441 HD13 ' HA ' ' A' ' 651' ' ' LEU . 3.4 mm? -96.32 -58.79 1.98 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.845 0.355 . . . . 0.0 110.939 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 652' ' ' HIS . . . . . . . . . . . . . 10.9 m-70 -111.0 69.29 0.64 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.587 0.708 . . . . 0.0 110.897 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 653' ' ' PRO . . . . . 0.408 ' HD3' ' C ' ' A' ' 651' ' ' LEU . 53.6 Cg_endo -69.79 170.05 17.53 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.683 2.255 . . . . 0.0 112.31 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 654' ' ' GLU . . . . . 0.441 ' O ' ' C ' ' A' ' 655' ' ' TYR . 29.4 mt-10 -126.3 70.5 1.24 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 655' ' ' TYR . . . . . 0.441 ' C ' ' O ' ' A' ' 654' ' ' GLU . 80.9 m-85 -34.36 -54.38 0.52 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.972 -179.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 31.4 m-20 50.27 35.05 9.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.91 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 657' ' ' PHE . . . . . 0.444 ' CZ ' ' HB3' ' A' ' 659' ' ' SER . 4.3 t80 -98.83 120.26 38.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 7.3 m -120.14 120.91 37.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.12 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 659' ' ' SER . . . . . 0.444 ' HB3' ' CZ ' ' A' ' 657' ' ' PHE . 24.7 p -102.82 164.32 11.7 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 -179.868 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 -140.53 130.01 24.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.907 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 661' ' ' TYR . . . . . . . . . . . . . 80.2 m-85 -154.7 136.61 14.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.927 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 662' ' ' LEU . . . . . 0.787 HD11 ' HG3' ' A' ' 604' ' ' GLU . 1.1 tm? -94.98 121.82 36.98 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.939 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 663' ' ' VAL . . . . . 0.592 ' N ' HD13 ' A' ' 662' ' ' LEU . 30.4 m -128.16 137.83 56.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.11 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 664' ' ' HIS . . . . . 0.529 ' H ' ' CD2' ' A' ' 664' ' ' HIS . 3.8 p80 -101.8 100.62 10.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.85 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 665' ' ' VAL . . . . . 0.572 HG13 ' HB2' ' A' ' 669' ' ' PHE . 10.6 p -175.23 140.88 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.109 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 666' ' ' ASN . . . . . 0.451 ' OD1' ' ND2' ' A' ' 605' ' ' ASN . 71.5 m-20 -131.71 -56.9 1.0 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 667' ' ' ASP . . . . . . . . . . . . . 36.3 m-20 -63.33 -57.16 11.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.897 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 668' ' ' LEU . . . . . 0.437 HD13 ' CD ' ' A' ' 671' ' ' GLN . 3.9 mm? -66.49 -16.56 64.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 669' ' ' PHE . . . . . 0.572 ' HB2' HG13 ' A' ' 665' ' ' VAL . 9.0 t80 -74.87 -33.87 62.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.898 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 670' ' ' LEU . . . . . . . . . . . . . 42.8 mt -85.0 -66.2 0.92 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.913 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 671' ' ' GLN . . . . . 0.438 ' CG ' ' N ' ' A' ' 672' ' ' TYR . 17.9 pt20 -39.6 -53.65 2.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 672' ' ' TYR . . . . . 0.525 ' O ' ' N ' ' A' ' 676' ' ' ASN . 4.7 t80 -47.21 -52.65 15.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.933 -179.876 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 673' ' ' ILE . . . . . . . . . . . . . 25.2 mt -68.65 -30.5 47.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.131 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 674' ' ' GLN . . . . . 0.491 ' CG ' HD22 ' A' ' 704' ' ' LEU . 8.6 mt-30 -64.53 -48.32 75.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.875 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 675' ' ' LYS . . . . . 0.406 ' HG2' ' O ' ' A' ' 671' ' ' GLN . 0.0 OUTLIER -100.12 -53.06 3.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.911 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 676' ' ' ASN . . . . . 0.525 ' N ' ' O ' ' A' ' 672' ' ' TYR . 34.9 m-20 -84.35 157.84 21.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.864 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 44.8 p -140.96 170.64 15.35 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.089 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 678' ' ' ILE . . . . . . . . . . . . . 5.2 mp -92.02 118.21 37.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.111 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 679' ' ' THR . . . . . 0.528 HG22 ' CD ' ' A' ' 681' ' ' GLU . 34.5 m -87.36 102.13 14.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.176 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 680' ' ' LEU . . . . . 0.718 ' O ' HD23 ' A' ' 680' ' ' LEU . 7.3 tt -105.38 99.5 9.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.932 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 681' ' ' GLU . . . . . 0.528 ' CD ' HG22 ' A' ' 679' ' ' THR . 3.9 mp0 -94.21 137.38 33.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.865 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 682' ' ' VAL . . . . . . . . . . . . . 55.7 t -108.23 144.48 16.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.142 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 683' ' ' HIS . . . . . 0.539 ' NE2' ' CE2' ' A' ' 632' ' ' PHE . 1.3 p-80 -137.1 139.93 41.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.84 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 684' ' ' GLN . . . . . 0.777 ' HA ' HG22 ' A' ' 631' ' ' THR . 38.1 mt-30 -84.35 127.46 34.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -86.77 102.55 14.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.108 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 686' ' ' TYR . . . . . 0.541 ' CD2' ' O ' ' A' ' 689' ' ' GLU . 2.9 m-85 -81.02 163.38 23.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.934 -179.861 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 687' ' ' SER . . . . . . . . . . . . . 21.0 p -67.45 -5.1 13.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.9 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 688' ' ' THR . . . . . 0.469 HG23 ' H ' ' A' ' 689' ' ' GLU . 0.0 OUTLIER -124.38 -55.31 1.65 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.134 -179.917 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 689' ' ' GLU . . . . . 0.541 ' O ' ' CD2' ' A' ' 686' ' ' TYR . 1.3 tp10 -134.36 -178.4 5.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.869 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 690' ' ' TYR . . . . . 0.42 ' CD1' ' C ' ' A' ' 689' ' ' GLU . 0.5 OUTLIER -139.4 117.14 11.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.916 -179.859 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 691' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -126.67 153.04 45.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.894 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 692' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -70.33 140.62 52.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.151 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 693' ' ' ILE . . . . . 0.534 HD13 ' H ' ' A' ' 693' ' ' ILE . 0.1 OUTLIER -130.81 -4.16 2.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.153 179.912 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -162.29 140.62 8.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.136 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 695' ' ' ALA . . . . . . . . . . . . . . . -132.0 147.78 52.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.12 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 696' ' ' CYS . . . . . . . . . . . . . 14.0 p -168.53 150.27 4.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 697' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -119.22 110.28 16.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.852 -179.814 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 698' ' ' LEU . . . . . 0.715 HD23 ' CE1' ' A' ' 731' ' ' TYR . 4.7 mp -68.68 143.06 54.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 699' ' ' LYS . . . . . . . . . . . . . 10.0 pttp -152.3 129.97 11.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.927 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 700' ' ' PHE . . . . . 0.441 ' CD2' ' CD1' ' A' ' 733' ' ' PHE . 0.2 OUTLIER -101.64 123.99 46.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.892 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 701' ' ' HIS . . . . . . . . . . . . . 2.6 m80 -90.25 -39.35 12.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.887 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 702' ' ' GLU . . . . . 0.883 ' HB2' HG21 ' A' ' 710' ' ' ILE . 5.4 mm-40 -59.43 -38.7 81.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.894 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 703' ' ' ILE . . . . . . . . . . . . . 10.5 tt -52.04 -15.71 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.116 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 704' ' ' LEU . . . . . 0.491 HD22 ' CG ' ' A' ' 674' ' ' GLN . 36.3 mt -83.34 -41.62 18.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.916 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 705' ' ' GLU . . . . . . . . . . . . . 64.2 mm-40 -96.66 -57.77 2.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.889 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 706' ' ' LYS . . . . . . . . . . . . . 13.1 mttp -90.6 178.34 6.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.961 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 707' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -155.95 123.8 5.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.866 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 708' ' ' GLY . . . . . . . . . . . . . . . 120.57 -145.27 17.39 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.486 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 709' ' ' ARG . . . . . . . . . . . . . 4.6 mtp180 -51.97 99.42 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.794 0.331 . . . . 0.0 110.868 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 710' ' ' ILE . . . . . 0.883 HG21 ' HB2' ' A' ' 702' ' ' GLU . 22.6 mt -137.35 131.45 44.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.156 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 711' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -97.0 142.88 28.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 712' ' ' CYS . . . . . . . . . . . . . 4.8 m -155.36 164.33 38.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.949 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 713' ' ' THR . . . . . . . . . . . . . 21.6 p -140.23 170.28 16.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.162 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 714' ' ' ALA . . . . . 0.748 ' HB3' ' CG1' ' A' ' 729' ' ' VAL . . . -144.78 143.65 30.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.13 179.838 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 715' ' ' SER . . . . . . . . . . . . . 75.6 m -87.03 161.83 17.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.835 -179.754 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 716' ' ' LEU . . . . . . . . . . . . . 11.5 mt -130.38 144.88 51.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.919 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 717' ' ' ILE . . . . . . . . . . . . . 5.3 mp -135.85 114.5 15.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.156 179.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 718' ' ' GLY . . . . . . . . . . . . . . . -55.0 146.09 28.76 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.467 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 719' ' ' THR . . . . . . . . . . . . . 27.9 p -91.81 -63.79 1.2 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.9 0.381 . . . . 0.0 111.153 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 720' ' ' LYS . . . . . 0.466 ' HE3' ' N ' ' A' ' 720' ' ' LYS . 0.1 OUTLIER -75.53 48.61 0.45 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 179.891 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 721' ' ' GLY . . . . . . . . . . . . . . . 178.52 -29.04 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.511 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 722' ' ' ASP . . . . . . . . . . . . . 24.8 t70 68.41 45.07 1.21 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.768 0.318 . . . . 0.0 110.918 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 723' ' ' ILE . . . . . 0.419 ' HA ' ' HD2' ' A' ' 724' ' ' PRO . 69.7 mt -94.92 106.68 26.5 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.608 0.718 . . . . 0.0 111.144 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 724' ' ' PRO . . . . . 0.419 ' HD2' ' HA ' ' A' ' 723' ' ' ILE . 53.6 Cg_endo -69.75 -35.28 12.95 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.69 2.26 . . . . 0.0 112.363 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 725' ' ' ASN . . . . . 0.449 ' O ' ' CB ' ' A' ' 617' ' ' SER . 36.2 m-20 -84.09 34.66 0.51 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.919 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 726' ' ' PHE . . . . . 0.404 ' CE1' HG22 ' A' ' 620' ' ' VAL . 8.3 t80 -60.89 -38.84 87.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.904 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 727' ' ' GLY . . . . . . . . . . . . . . . 142.95 173.24 14.47 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.462 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 728' ' ' THR . . . . . . . . . . . . . 3.3 m -119.77 144.78 47.1 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.845 0.355 . . . . 0.0 111.137 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 729' ' ' VAL . . . . . 0.748 ' CG1' ' HB3' ' A' ' 714' ' ' ALA . 9.1 p -103.07 134.46 44.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.08 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -107.35 139.97 41.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 731' ' ' TYR . . . . . 0.715 ' CE1' HD23 ' A' ' 698' ' ' LEU . 42.1 p90 -155.14 177.47 11.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.928 -179.876 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 732' ' ' TRP . . . . . 0.592 ' CZ2' ' HB2' ' A' ' 734' ' ' ARG . 26.8 t90 -147.88 129.29 14.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.975 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 733' ' ' PHE . . . . . 0.441 ' CD1' ' CD2' ' A' ' 700' ' ' PHE . 18.5 p90 -126.54 150.93 48.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.865 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 734' ' ' ARG . . . . . 0.592 ' HB2' ' CZ2' ' A' ' 732' ' ' TRP . 58.9 ttt180 -148.99 111.97 4.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 735' ' ' LEU . . . . . 0.757 HD21 ' CD1' ' A' ' 607' ' ' PHE . 3.6 mm? -103.55 108.34 19.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.958 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 736' ' ' ARG . . . . . . . . . . . . . 9.3 tpp85 -139.56 135.94 33.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 737' ' ' VAL . . . . . . . . . . . . . 7.9 p -47.49 131.94 4.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.135 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 738' ' ' SER . . . . . . . . . . . . . 24.8 t -103.18 133.86 47.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.887 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 739' ' ' GLY . . . . . . . . . . . . . . . -97.31 -154.36 29.76 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.461 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 740' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 -5.83 17.15 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.642 2.228 . . . . 0.0 112.328 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 69.6 m -40.16 143.07 0.31 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.847 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 71.5 m -48.11 126.58 11.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.85 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 743' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.5 -179.965 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 588' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 55.3 m 62.08 42.09 10.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.882 0.373 . . . . 0.0 110.875 -179.7 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 590' ' ' SER . . . . . . . . . . . . . 98.5 p -154.16 153.35 31.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 591' ' ' GLY . . . . . . . . . . . . . . . 142.91 64.16 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.507 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 52.6 p -78.67 133.83 37.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.856 0.36 . . . . 0.0 110.88 -179.728 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 5.1 t -50.61 -51.36 49.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.836 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 594' ' ' GLY . . . . . . . . . . . . . . . 126.79 71.36 0.18 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.483 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 595' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -154.25 143.75 21.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.776 0.322 . . . . 0.0 110.873 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 596' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -145.06 116.57 8.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 597' ' ' THR . . . . . . . . . . . . . 14.7 t -174.76 155.81 2.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.125 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 598' ' ' ILE . . . . . 0.64 HG23 ' CB ' ' A' ' 707' ' ' SER . 21.1 mt -87.09 -61.84 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.125 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 599' ' ' HIS . . . . . 0.477 ' O ' ' CD2' ' A' ' 599' ' ' HIS . 0.3 OUTLIER -156.87 131.24 8.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.861 179.851 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 600' ' ' LEU . . . . . 0.76 ' N ' HD13 ' A' ' 600' ' ' LEU . 0.0 OUTLIER -108.16 16.61 23.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.938 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 601' ' ' GLU . . . . . 0.473 ' HG3' ' N ' ' A' ' 602' ' ' ARG . 4.4 pt-20 -124.52 -176.1 3.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.854 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 602' ' ' ARG . . . . . 0.473 ' N ' ' HG3' ' A' ' 601' ' ' GLU . 0.0 OUTLIER -127.72 141.8 51.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.862 -179.93 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 603' ' ' GLY . . . . . . . . . . . . . . . 156.29 -147.47 16.09 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.497 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 604' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -95.27 153.52 17.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.797 0.332 . . . . 0.0 110.908 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 605' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -121.13 173.83 7.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.848 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 606' ' ' LEU . . . . . . . . . . . . . 8.3 tp -140.6 139.28 34.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.905 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 607' ' ' PHE . . . . . 0.535 ' CG ' ' CZ ' ' A' ' 637' ' ' PHE . 8.0 t80 -139.52 139.46 36.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 608' ' ' GLU . . . . . 0.412 ' C ' HG13 ' A' ' 609' ' ' ILE . 1.5 pm0 -150.2 168.27 24.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.902 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 609' ' ' ILE . . . . . 0.412 HG13 ' C ' ' A' ' 608' ' ' GLU . 79.5 mt -147.11 134.39 14.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.107 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 610' ' ' HIS . . . . . 0.47 ' HB3' ' NE1' ' A' ' 732' ' ' TRP . 73.7 t60 -131.05 138.5 49.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.834 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 41.9 mm -107.69 133.17 53.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.161 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 612' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -84.59 -64.62 1.13 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 613' ' ' LYS . . . . . . . . . . . . . 2.1 pttm -167.89 163.59 13.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.912 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 614' ' ' VAL . . . . . . . . . . . . . 92.7 t -122.71 121.74 64.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.13 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 615' ' ' THR . . . . . 0.492 HG22 ' N ' ' A' ' 616' ' ' PHE . 14.0 m -89.4 161.21 16.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.144 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 616' ' ' PHE . . . . . 0.567 ' HB3' HG21 ' A' ' 620' ' ' VAL . 23.8 m-85 -135.79 146.59 47.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 1.1 t -90.54 171.65 9.26 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.859 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 618' ' ' SER . . . . . . . . . . . . . 66.1 m -63.09 -20.32 65.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.842 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 619' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -63.16 -66.61 0.52 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.878 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 620' ' ' VAL . . . . . 0.567 HG21 ' HB3' ' A' ' 616' ' ' PHE . 35.9 m -52.04 -27.54 9.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.107 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 621' ' ' LEU . . . . . . . . . . . . . 80.4 mt -72.07 -61.61 1.73 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.954 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 622' ' ' GLN . . . . . . . . . . . . . 58.4 mm-40 -48.62 -46.07 39.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.912 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -66.21 -38.14 87.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.03 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 19.4 m -66.93 -65.42 0.68 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.84 -179.75 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 625' ' ' GLY . . . . . . . . . . . . . . . 132.97 -166.95 23.5 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.47 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 626' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -93.76 44.12 1.12 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.874 0.368 . . . . 0.0 110.868 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 17.9 mtpt -139.78 110.74 6.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 26.4 mp0 -38.65 100.2 0.2 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.629 0.728 . . . . 0.0 110.88 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 629' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 111.06 2.71 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.695 2.263 . . . . 0.0 112.366 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 630' ' ' VAL . . . . . 0.583 HG12 ' CG2' ' A' ' 647' ' ' VAL . 11.7 t -81.91 112.09 19.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.148 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 631' ' ' THR . . . . . 0.62 HG22 ' HA ' ' A' ' 684' ' ' GLN . 14.4 p -133.3 167.09 21.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.146 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 632' ' ' PHE . . . . . 0.641 ' CE1' ' NE2' ' A' ' 683' ' ' HIS . 42.9 p90 -144.46 158.56 43.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 633' ' ' CYS . . . . . 0.598 ' O ' HG23 ' A' ' 645' ' ' THR . 0.8 OUTLIER -105.69 158.9 16.39 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 -179.895 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 634' ' ' THR . . . . . . . . . . . . . 65.9 p -149.05 146.61 27.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.128 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 635' ' ' TYR . . . . . . . . . . . . . 43.6 p90 -174.85 146.3 0.91 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.931 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 636' ' ' ALA . . . . . . . . . . . . . . . -112.7 159.82 18.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.057 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 637' ' ' PHE . . . . . 0.535 ' CZ ' ' CG ' ' A' ' 607' ' ' PHE . 48.8 t80 -120.57 145.28 47.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.851 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 638' ' ' TYR . . . . . 0.517 ' HB3' ' CD2' ' A' ' 640' ' ' PHE . 2.6 t80 41.66 32.47 0.25 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 639' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 59.65 42.42 17.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.907 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 640' ' ' PHE . . . . . 0.517 ' CD2' ' HB3' ' A' ' 638' ' ' TYR . 16.6 m-85 -103.46 -179.69 4.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.923 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 2.0 pm0 -41.64 129.22 3.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.905 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 642' ' ' LEU . . . . . 0.623 HD13 ' C ' ' A' ' 642' ' ' LEU . 0.8 OUTLIER -64.9 109.63 2.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.927 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 643' ' ' GLN . . . . . 0.544 ' N ' HD13 ' A' ' 642' ' ' LEU . 2.7 tp60 -84.09 117.27 23.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 644' ' ' THR . . . . . . . . . . . . . 95.9 m -92.71 122.45 35.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.118 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 645' ' ' THR . . . . . 0.598 HG23 ' O ' ' A' ' 633' ' ' CYS . 11.8 p -71.07 151.58 94.84 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.608 0.718 . . . . 0.0 111.148 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 646' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 115.11 3.93 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.691 2.261 . . . . 0.0 112.369 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 647' ' ' VAL . . . . . 0.583 ' CG2' HG12 ' A' ' 630' ' ' VAL . 7.1 p -68.31 143.37 15.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.123 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 11.3 m -145.63 150.33 15.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.108 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 649' ' ' ARG . . . . . . . . . . . . . 7.1 ptt180 -84.69 126.24 33.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 650' ' ' GLY . . . . . . . . . . . . . . . 144.97 163.77 10.27 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.462 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 651' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -86.75 -49.29 7.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.845 0.355 . . . . 0.0 110.897 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 652' ' ' HIS . . . . . 0.435 ' CD2' ' N ' ' A' ' 652' ' ' HIS . 0.6 OUTLIER -118.64 61.83 4.95 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.591 0.71 . . . . 0.0 110.82 179.902 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 653' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -176.47 1.5 Allowed 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.694 2.263 . . . . 0.0 112.34 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 72.3 mt-10 -134.83 78.48 1.74 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.872 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 655' ' ' TYR . . . . . . . . . . . . . 18.1 m-85 -45.71 -57.04 4.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.981 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 56.55 47.42 18.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.925 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 657' ' ' PHE . . . . . . . . . . . . . 20.9 t80 -94.86 124.89 39.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.836 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 3.5 m -113.94 148.32 37.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.14 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 7.2 p -152.57 166.18 32.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.832 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 660' ' ' GLN . . . . . 0.529 ' O ' ' CD1' ' A' ' 661' ' ' TYR . 38.2 mt-30 -149.98 146.56 27.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.846 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 661' ' ' TYR . . . . . 0.529 ' CD1' ' O ' ' A' ' 660' ' ' GLN . 21.6 m-85 -149.16 120.79 8.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 662' ' ' LEU . . . . . 0.459 HD13 ' C ' ' A' ' 662' ' ' LEU . 0.7 OUTLIER -80.85 102.65 10.17 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.942 179.928 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 663' ' ' VAL . . . . . . . . . . . . . 17.6 m -124.54 135.06 65.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.182 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 664' ' ' HIS . . . . . . . . . . . . . 51.0 p-80 -108.61 119.39 39.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.852 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 665' ' ' VAL . . . . . 0.592 HG12 ' H ' ' A' ' 666' ' ' ASN . 2.2 t -148.89 170.72 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.125 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 666' ' ' ASN . . . . . 0.592 ' H ' HG12 ' A' ' 665' ' ' VAL . 2.3 m-80 -115.38 -174.5 2.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 667' ' ' ASP . . . . . 0.443 ' C ' ' O ' ' A' ' 666' ' ' ASN . 6.8 m-20 -34.83 -32.01 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 668' ' ' LEU . . . . . 0.501 ' N ' ' O ' ' A' ' 666' ' ' ASN . 4.3 mm? -46.89 -51.32 17.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 669' ' ' PHE . . . . . 0.448 ' C ' ' O ' ' A' ' 668' ' ' LEU . 7.0 t80 -34.44 -32.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 670' ' ' LEU . . . . . 0.5 ' N ' ' O ' ' A' ' 668' ' ' LEU . 69.1 mt -68.91 -61.7 1.69 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.922 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 671' ' ' GLN . . . . . 0.445 ' C ' ' O ' ' A' ' 670' ' ' LEU . 6.7 pt20 -34.81 -44.45 0.22 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 672' ' ' TYR . . . . . 0.433 ' N ' ' CG ' ' A' ' 671' ' ' GLN . 5.0 t80 -57.6 -44.68 85.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.948 -179.853 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 673' ' ' ILE . . . . . 0.721 HD13 HG21 ' A' ' 703' ' ' ILE . 72.5 mt -62.44 -44.28 99.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.129 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 674' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -70.9 -63.77 1.03 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.901 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 675' ' ' LYS . . . . . . . . . . . . . 12.1 mtmm -55.76 -60.87 2.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 676' ' ' ASN . . . . . 0.4 ' O ' ' O ' ' A' ' 672' ' ' TYR . 9.7 m-80 -102.1 167.62 9.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.878 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 38.5 p -140.61 167.26 22.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.089 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 678' ' ' ILE . . . . . . . . . . . . . 16.6 mt -88.2 148.26 4.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.195 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 17.8 m -116.86 123.81 47.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.147 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 680' ' ' LEU . . . . . 0.909 ' O ' HD23 ' A' ' 680' ' ' LEU . 3.8 tt -131.88 98.47 4.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.949 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 681' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -101.03 140.55 35.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 682' ' ' VAL . . . . . . . . . . . . . 60.1 t -110.68 126.92 68.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.156 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 683' ' ' HIS . . . . . 0.641 ' NE2' ' CE1' ' A' ' 632' ' ' PHE . 7.4 p-80 -119.16 153.07 35.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 684' ' ' GLN . . . . . 0.62 ' HA ' HG22 ' A' ' 631' ' ' THR . 44.3 mt-30 -84.64 142.64 29.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.939 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -95.49 112.72 24.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.126 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 686' ' ' TYR . . . . . . . . . . . . . 38.5 m-85 -105.15 167.05 9.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.914 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 687' ' ' SER . . . . . . . . . . . . . 3.6 m -44.06 -65.08 0.55 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.836 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 688' ' ' THR . . . . . . . . . . . . . 11.7 t -132.77 37.83 3.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.154 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 689' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -139.98 166.52 24.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.867 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 690' ' ' TYR . . . . . . . . . . . . . 90.0 m-85 -154.1 117.18 4.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.875 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 691' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -147.34 147.29 30.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.841 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 692' ' ' THR . . . . . 0.548 ' HB ' HG21 ' A' ' 719' ' ' THR . 0.6 OUTLIER -93.2 145.8 24.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.153 -179.954 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 693' ' ' ILE . . . . . 0.435 HD13 ' HZ ' ' A' ' 726' ' ' PHE . 1.4 pp -134.42 1.3 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.155 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 694' ' ' ALA . . . . . 0.908 ' N ' HG23 ' A' ' 719' ' ' THR . . . -148.32 144.69 27.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.109 179.824 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 695' ' ' ALA . . . . . . . . . . . . . . . -157.53 139.93 14.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.082 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 696' ' ' CYS . . . . . . . . . . . . . 21.3 p -154.74 166.65 32.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 697' ' ' GLN . . . . . . . . . . . . . 64.3 mm-40 -117.07 110.11 17.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.923 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 698' ' ' LEU . . . . . . . . . . . . . 13.9 mt -75.56 133.8 40.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.934 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 699' ' ' LYS . . . . . . . . . . . . . 6.6 pttt -153.85 124.02 6.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.848 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 700' ' ' PHE . . . . . 0.63 ' O ' HG22 ' A' ' 703' ' ' ILE . 1.5 m-85 -99.23 125.27 44.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 701' ' ' HIS . . . . . . . . . . . . . 70.3 m-70 -89.3 -45.16 9.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.856 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 702' ' ' GLU . . . . . 0.515 ' CB ' HG21 ' A' ' 710' ' ' ILE . 6.5 mt-10 -56.81 -31.11 64.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 703' ' ' ILE . . . . . 0.721 HG21 HD13 ' A' ' 673' ' ' ILE . 10.9 tt -57.03 -11.65 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.137 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 704' ' ' LEU . . . . . . . . . . . . . 20.9 mt -86.92 -48.24 8.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 705' ' ' GLU . . . . . 0.477 ' CG ' ' HG2' ' A' ' 706' ' ' LYS . 15.3 pt-20 -79.66 -44.95 19.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.908 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 706' ' ' LYS . . . . . 0.477 ' HG2' ' CG ' ' A' ' 705' ' ' GLU . 13.9 ptpt -120.48 175.19 6.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 707' ' ' SER . . . . . 0.64 ' CB ' HG23 ' A' ' 598' ' ' ILE . 1.1 t -152.07 137.4 17.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.845 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 708' ' ' GLY . . . . . 0.403 ' O ' ' O ' ' A' ' 733' ' ' PHE . . . 109.82 -112.69 3.42 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.487 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 709' ' ' ARG . . . . . . . . . . . . . 5.8 tmm_? -69.94 84.09 0.49 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.788 0.327 . . . . 0.0 110.894 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 710' ' ' ILE . . . . . 0.515 HG21 ' CB ' ' A' ' 702' ' ' GLU . 12.0 mt -136.97 139.33 44.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.157 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 711' ' ' PHE . . . . . . . . . . . . . 46.7 m-85 -119.48 147.98 43.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 712' ' ' CYS . . . . . . . . . . . . . 5.3 t -163.37 162.82 25.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 713' ' ' THR . . . . . . . . . . . . . 28.6 p -130.14 170.75 13.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.095 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 714' ' ' ALA . . . . . . . . . . . . . . . -146.66 136.77 23.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.105 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 715' ' ' SER . . . . . . . . . . . . . 11.9 t -78.04 140.73 39.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.813 -179.745 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 716' ' ' LEU . . . . . 0.64 ' C ' HD12 ' A' ' 717' ' ' ILE . 7.3 mt -108.81 139.96 42.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.898 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 717' ' ' ILE . . . . . 0.64 HD12 ' C ' ' A' ' 716' ' ' LEU . 4.2 mp -136.02 142.99 37.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.102 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 718' ' ' GLY . . . . . 0.477 ' O ' ' N ' ' A' ' 721' ' ' GLY . . . -40.9 144.84 0.53 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.492 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 719' ' ' THR . . . . . 0.908 HG23 ' N ' ' A' ' 694' ' ' ALA . 0.8 OUTLIER -43.42 -39.07 3.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.81 0.338 . . . . 0.0 111.123 -179.835 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 720' ' ' LYS . . . . . 0.475 ' N ' ' HD3' ' A' ' 720' ' ' LYS . 0.0 OUTLIER -83.55 25.5 0.75 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.883 179.902 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 721' ' ' GLY . . . . . 0.477 ' N ' ' O ' ' A' ' 718' ' ' GLY . . . 33.74 53.39 0.65 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.49 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 722' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -131.01 -30.32 1.79 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.808 0.337 . . . . 0.0 110.854 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 723' ' ' ILE . . . . . 0.491 ' O ' HG23 ' A' ' 717' ' ' ILE . 77.4 mt -97.42 103.31 15.51 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.589 0.709 . . . . 0.0 111.118 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 724' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 723' ' ' ILE . 53.7 Cg_endo -69.74 -52.6 0.32 Allowed 'Trans proline' 0 N--CA 1.466 -0.145 0 C-N-CA 122.709 2.273 . . . . 0.0 112.356 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 725' ' ' ASN . . . . . . . . . . . . . 22.4 m-20 -73.97 81.21 1.69 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 726' ' ' PHE . . . . . 0.705 ' CZ ' ' HB2' ' A' ' 694' ' ' ALA . 2.3 t80 -114.11 -30.64 6.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.887 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 727' ' ' GLY . . . . . . . . . . . . . . . 140.98 168.33 11.38 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.501 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 728' ' ' THR . . . . . . . . . . . . . 24.6 m -116.03 148.84 39.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.843 0.354 . . . . 0.0 111.14 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 729' ' ' VAL . . . . . 0.419 HG13 ' O ' ' A' ' 729' ' ' VAL . 10.3 p -109.95 129.6 64.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.143 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -113.13 110.51 20.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 731' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -137.75 168.39 19.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.959 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 732' ' ' TRP . . . . . 0.47 ' NE1' ' HB3' ' A' ' 610' ' ' HIS . 48.6 p-90 -142.92 125.29 15.6 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.959 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 733' ' ' PHE . . . . . 0.626 ' CD1' ' CD2' ' A' ' 700' ' ' PHE . 49.4 p90 -110.5 165.07 12.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.884 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 734' ' ' ARG . . . . . 0.415 ' C ' ' HD3' ' A' ' 734' ' ' ARG . 0.4 OUTLIER -161.18 124.08 3.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 -179.896 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 735' ' ' LEU . . . . . . . . . . . . . 8.2 tp -131.19 104.7 7.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.939 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 736' ' ' ARG . . . . . 0.444 ' O ' ' C ' ' A' ' 737' ' ' VAL . 3.7 tpt180 -144.15 135.08 25.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.847 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 737' ' ' VAL . . . . . 0.444 ' C ' ' O ' ' A' ' 736' ' ' ARG . 4.0 p -33.75 134.39 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.121 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 738' ' ' SER . . . . . . . . . . . . . 11.7 p -97.85 113.73 25.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.865 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 739' ' ' GLY . . . . . . . . . . . . . . . 85.98 141.45 6.1 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.483 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 740' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -177.71 2.01 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.715 2.277 . . . . 0.0 112.304 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 2.6 m -160.98 162.53 31.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 24.3 p -94.23 138.44 32.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.859 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 743' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.484 179.981 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 588' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 3.1 m -138.78 173.57 11.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.885 0.374 . . . . 0.0 110.888 -179.779 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 590' ' ' SER . . . . . . . . . . . . . 19.8 m -155.6 174.17 15.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.876 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 591' ' ' GLY . . . . . . . . . . . . . . . -123.57 -165.7 12.36 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.479 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 3.3 m -161.48 158.95 27.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.87 0.367 . . . . 0.0 110.862 -179.728 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 8.7 t -120.02 -62.05 1.53 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.918 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 594' ' ' GLY . . . . . . . . . . . . . . . -161.21 162.92 34.09 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.478 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 595' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -163.32 173.4 13.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.758 0.313 . . . . 0.0 110.872 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 596' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -146.25 132.89 19.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 597' ' ' THR . . . . . . . . . . . . . 41.7 p -98.44 116.22 30.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.173 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 598' ' ' ILE . . . . . 0.468 ' O ' ' C ' ' A' ' 599' ' ' HIS . 27.3 mm -97.25 119.76 45.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.153 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 599' ' ' HIS . . . . . 0.468 ' C ' ' O ' ' A' ' 598' ' ' ILE . 43.1 m80 -33.25 144.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.873 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 600' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -98.89 165.51 11.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.937 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 601' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -111.09 160.95 16.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.927 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 602' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.05 166.48 23.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.845 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 603' ' ' GLY . . . . . . . . . . . . . . . 135.61 -139.84 11.11 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.45 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 604' ' ' GLU . . . . . 0.584 ' CD ' HD11 ' A' ' 662' ' ' LEU . 4.8 tt0 -47.99 165.97 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.843 0.354 . . . . 0.0 110.923 -179.861 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 605' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -134.48 130.5 36.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 606' ' ' LEU . . . . . 0.55 ' C ' HD23 ' A' ' 606' ' ' LEU . 6.6 tt -129.02 146.04 51.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 607' ' ' PHE . . . . . 0.459 ' N ' HD23 ' A' ' 606' ' ' LEU . 9.3 t80 -120.76 134.96 55.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 608' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -148.04 129.94 15.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.886 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 609' ' ' ILE . . . . . . . . . . . . . 59.5 mt -111.44 140.94 28.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.149 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 610' ' ' HIS . . . . . 0.569 ' CE1' ' HA ' ' A' ' 656' ' ' ASN . 8.5 t-80 -131.23 113.16 13.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.876 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 49.7 mm -79.32 106.52 10.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.158 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 612' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -60.86 -65.46 0.69 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 613' ' ' LYS . . . . . . . . . . . . . 16.0 ptmt -163.96 178.59 7.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.923 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 614' ' ' VAL . . . . . . . . . . . . . 79.1 t -129.24 117.91 44.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.11 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 615' ' ' THR . . . . . . . . . . . . . 66.2 m -93.71 133.5 37.0 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.173 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 616' ' ' PHE . . . . . 0.471 ' CD1' HG11 ' A' ' 620' ' ' VAL . 47.3 m-85 -101.63 166.01 10.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.847 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 617' ' ' SER . . . . . 0.495 ' CB ' ' O ' ' A' ' 725' ' ' ASN . 0.9 OUTLIER -103.71 161.11 14.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.889 -179.82 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 618' ' ' SER . . . . . . . . . . . . . 31.9 p -45.47 -41.43 9.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.813 -179.777 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 619' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -59.39 -43.16 92.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.901 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 620' ' ' VAL . . . . . 0.471 HG11 ' CD1' ' A' ' 616' ' ' PHE . 30.3 t -67.38 -39.34 82.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.146 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 621' ' ' LEU . . . . . . . . . . . . . 39.5 mt -67.06 -47.82 70.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.907 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 622' ' ' GLN . . . . . . . . . . . . . 35.5 mm-40 -70.97 -49.69 42.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.929 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -43.37 -40.94 3.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.096 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 15.5 m -64.63 -46.11 83.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 625' ' ' GLY . . . . . . . . . . . . . . . 91.47 -141.8 15.81 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.503 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 626' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -80.57 41.58 0.56 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.875 0.369 . . . . 0.0 110.835 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 13.3 ptpt -151.01 176.54 11.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.946 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -123.2 123.47 26.63 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.636 0.732 . . . . 0.0 110.882 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 629' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 145.8 58.24 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.725 2.284 . . . . 0.0 112.343 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 630' ' ' VAL . . . . . . . . . . . . . 13.2 t -122.81 112.68 35.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.114 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 631' ' ' THR . . . . . 0.424 ' CG2' HE21 ' A' ' 684' ' ' GLN . 34.4 p -139.07 178.67 7.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.152 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 632' ' ' PHE . . . . . 0.651 ' O ' HG13 ' A' ' 682' ' ' VAL . 35.7 p90 -146.07 174.43 11.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 633' ' ' CYS . . . . . . . . . . . . . 61.6 m -117.16 151.13 37.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 634' ' ' THR . . . . . 0.672 ' HB ' HD11 ' A' ' 642' ' ' LEU . 23.3 p -150.01 124.43 9.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.09 -179.856 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 635' ' ' TYR . . . . . 0.448 ' CD1' HD12 ' A' ' 680' ' ' LEU . 28.8 p90 -152.88 177.74 10.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 636' ' ' ALA . . . . . 0.671 ' HB2' HD22 ' A' ' 642' ' ' LEU . . . -149.4 149.26 30.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.101 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 637' ' ' PHE . . . . . 0.508 ' O ' ' N ' ' A' ' 640' ' ' PHE . 78.1 t80 -115.07 156.04 25.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.91 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 638' ' ' TYR . . . . . 0.477 ' C ' ' O ' ' A' ' 637' ' ' PHE . 12.8 t80 31.6 38.37 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 -179.865 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 639' ' ' ASP . . . . . 0.478 ' N ' ' O ' ' A' ' 637' ' ' PHE . 34.0 t70 58.65 50.27 9.18 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.885 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 640' ' ' PHE . . . . . 0.508 ' N ' ' O ' ' A' ' 637' ' ' PHE . 4.2 m-85 -99.0 173.13 6.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.913 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -56.38 116.63 3.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 642' ' ' LEU . . . . . 0.672 HD11 ' HB ' ' A' ' 634' ' ' THR . 0.4 OUTLIER -50.95 113.11 0.83 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.892 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 643' ' ' GLN . . . . . . . . . . . . . 4.7 tp60 -82.33 147.65 28.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 644' ' ' THR . . . . . . . . . . . . . 28.9 m -116.13 111.37 20.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.12 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 645' ' ' THR . . . . . . . . . . . . . 60.7 p -70.48 153.65 94.92 Favored Pre-proline 0 C--N 1.33 -0.283 0 CA-C-O 121.545 0.688 . . . . 0.0 111.152 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 646' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.7 125.04 11.71 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.648 2.232 . . . . 0.0 112.33 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 647' ' ' VAL . . . . . . . . . . . . . 60.2 t -68.04 122.42 19.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.123 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 39.1 t -121.74 130.88 74.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.07 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 649' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -93.58 135.81 34.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.899 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 650' ' ' GLY . . . . . 0.41 ' O ' ' HG ' ' A' ' 651' ' ' LEU . . . 149.42 -132.57 4.1 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.507 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 651' ' ' LEU . . . . . 0.437 ' HB3' ' CD2' ' A' ' 652' ' ' HIS . 7.3 mt -159.78 104.99 1.58 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.826 0.346 . . . . 0.0 110.949 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 652' ' ' HIS . . . . . 0.522 ' N ' ' CD ' ' A' ' 653' ' ' PRO . 16.6 m-70 74.76 49.78 0.21 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.583 0.706 . . . . 0.0 110.882 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 653' ' ' PRO . . . . . 0.522 ' CD ' ' N ' ' A' ' 652' ' ' HIS . 53.7 Cg_endo -69.75 174.42 9.52 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.702 2.268 . . . . 0.0 112.351 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 654' ' ' GLU . . . . . 0.432 ' HB3' ' ND2' ' A' ' 656' ' ' ASN . 63.9 mt-10 -120.9 80.49 1.64 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.944 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 655' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -51.35 -55.98 15.53 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.915 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 656' ' ' ASN . . . . . 0.569 ' HA ' ' CE1' ' A' ' 610' ' ' HIS . 2.2 m-80 60.02 44.2 13.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.903 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 657' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -88.77 151.98 22.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.891 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 55.8 m -134.55 149.08 50.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.147 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 89.3 p -132.25 153.74 50.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.821 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -132.24 130.47 40.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.895 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 661' ' ' TYR . . . . . . . . . . . . . 75.7 m-85 -153.91 122.02 6.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 662' ' ' LEU . . . . . 0.584 HD11 ' CD ' ' A' ' 604' ' ' GLU . 0.3 OUTLIER -89.65 118.01 28.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.932 179.933 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 663' ' ' VAL . . . . . 0.533 ' O ' HG23 ' A' ' 663' ' ' VAL . 28.8 m -133.28 114.25 20.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.124 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 664' ' ' HIS . . . . . 0.56 ' O ' HG13 ' A' ' 665' ' ' VAL . 22.5 p-80 -93.78 98.17 10.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.879 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 665' ' ' VAL . . . . . 0.704 HG23 ' HD2' ' A' ' 669' ' ' PHE . 4.8 m -159.7 152.08 5.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.128 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 666' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -115.82 -66.59 1.07 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 667' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -74.91 -63.23 1.3 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 668' ' ' LEU . . . . . 0.474 ' H ' HD12 ' A' ' 668' ' ' LEU . 9.1 mp -40.39 -38.37 0.81 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.905 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 669' ' ' PHE . . . . . 0.704 ' HD2' HG23 ' A' ' 665' ' ' VAL . 1.9 t80 -47.84 -55.44 9.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.925 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 670' ' ' LEU . . . . . . . . . . . . . 50.9 mt -71.01 -51.18 26.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.898 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 671' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -42.92 -49.96 5.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.918 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 672' ' ' TYR . . . . . 0.44 ' CD1' ' C ' ' A' ' 672' ' ' TYR . 0.9 OUTLIER -59.46 -41.83 90.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.929 -179.885 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 673' ' ' ILE . . . . . 0.589 HD13 HG21 ' A' ' 703' ' ' ILE . 88.7 mt -61.53 -61.07 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.135 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 674' ' ' GLN . . . . . . . . . . . . . 22.3 pt20 -58.19 -45.8 86.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.932 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 675' ' ' LYS . . . . . . . . . . . . . 81.5 mttt -67.09 -68.92 0.34 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.938 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 676' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -100.23 151.69 21.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 61.3 p -121.24 168.35 11.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.113 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 678' ' ' ILE . . . . . . . . . . . . . 5.3 mp -87.81 116.47 29.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.118 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 679' ' ' THR . . . . . 0.6 HG22 ' OE1' ' A' ' 681' ' ' GLU . 11.5 m -87.61 104.62 16.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.173 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 680' ' ' LEU . . . . . 0.611 ' O ' HD23 ' A' ' 680' ' ' LEU . 7.0 tt -115.84 108.15 15.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.886 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 681' ' ' GLU . . . . . 0.6 ' OE1' HG22 ' A' ' 679' ' ' THR . 3.0 mp0 -112.28 135.84 52.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 682' ' ' VAL . . . . . 0.651 HG13 ' O ' ' A' ' 632' ' ' PHE . 95.8 t -99.12 99.43 8.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.144 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 683' ' ' HIS . . . . . . . . . . . . . 4.3 m170 -90.86 141.58 28.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.799 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 684' ' ' GLN . . . . . 0.527 ' HB3' ' CZ ' ' A' ' 686' ' ' TYR . 22.4 tt0 -91.23 146.78 23.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -98.36 113.6 25.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.088 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 686' ' ' TYR . . . . . 0.527 ' CZ ' ' HB3' ' A' ' 684' ' ' GLN . 1.0 OUTLIER -107.6 168.78 9.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.959 -179.879 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 687' ' ' SER . . . . . . . . . . . . . 29.2 p -40.33 94.52 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.842 -179.79 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 688' ' ' THR . . . . . 0.452 ' N ' ' O ' ' A' ' 686' ' ' TYR . 69.2 p 50.1 44.03 25.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.171 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 689' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -142.79 165.96 25.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.89 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 690' ' ' TYR . . . . . . . . . . . . . 33.6 m-85 -152.42 121.65 6.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.926 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 691' ' ' GLU . . . . . 0.421 ' HG2' ' N ' ' A' ' 692' ' ' THR . 26.4 tt0 -149.16 153.44 37.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.854 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 692' ' ' THR . . . . . 0.421 ' N ' ' HG2' ' A' ' 691' ' ' GLU . 94.4 m -82.78 140.9 32.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.141 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 693' ' ' ILE . . . . . 0.486 HG13 ' N ' ' A' ' 694' ' ' ALA . 26.1 pt -130.92 -31.31 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.139 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 694' ' ' ALA . . . . . 0.486 ' N ' HG13 ' A' ' 693' ' ' ILE . . . -131.29 139.5 49.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.085 179.804 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 695' ' ' ALA . . . . . . . . . . . . . . . -145.81 136.65 24.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.14 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 696' ' ' CYS . . . . . . . . . . . . . 31.0 p -151.58 155.44 38.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 697' ' ' GLN . . . . . . . . . . . . . 7.0 mm100 -103.79 108.65 20.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.906 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 698' ' ' LEU . . . . . 0.666 HD22 ' CE2' ' A' ' 731' ' ' TYR . 87.8 mt -84.5 128.1 34.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 699' ' ' LYS . . . . . 0.543 ' HD2' ' CE1' ' A' ' 701' ' ' HIS . 9.7 ptpt -152.79 136.26 15.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 179.809 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 700' ' ' PHE . . . . . 0.717 ' CD1' ' CD1' ' A' ' 733' ' ' PHE . 10.3 m-85 -99.98 125.78 46.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.882 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 701' ' ' HIS . . . . . 0.543 ' CE1' ' HD2' ' A' ' 699' ' ' LYS . 14.9 m80 -91.9 -51.16 5.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 702' ' ' GLU . . . . . 0.637 ' CB ' HG21 ' A' ' 710' ' ' ILE . 2.5 mp0 -48.14 -44.74 32.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 703' ' ' ILE . . . . . 0.589 HG21 HD13 ' A' ' 673' ' ' ILE . 12.8 tt -46.01 -25.33 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.163 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 704' ' ' LEU . . . . . . . . . . . . . 38.3 mt -66.3 -40.53 90.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.921 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 705' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -98.09 -58.53 1.96 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.911 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 706' ' ' LYS . . . . . . . . . . . . . 28.2 mtpt -82.63 176.34 9.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.915 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 707' ' ' SER . . . . . . . . . . . . . 58.5 m -149.62 106.41 3.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.824 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 708' ' ' GLY . . . . . . . . . . . . . . . 141.12 -150.0 21.47 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.448 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 709' ' ' ARG . . . . . 0.447 ' C ' HG13 ' A' ' 710' ' ' ILE . 24.3 ptt-85 -65.82 120.36 12.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.805 0.336 . . . . 0.0 110.869 -179.837 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 710' ' ' ILE . . . . . 0.637 HG21 ' CB ' ' A' ' 702' ' ' GLU . 26.7 mt -144.51 106.54 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.118 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 711' ' ' PHE . . . . . . . . . . . . . 17.0 m-85 -57.85 140.97 50.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 712' ' ' CYS . . . . . . . . . . . . . 5.4 t -164.04 166.29 21.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.932 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 713' ' ' THR . . . . . . . . . . . . . 21.3 p -147.38 170.83 16.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.128 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 714' ' ' ALA . . . . . . . . . . . . . . . -145.22 148.63 33.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.126 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 715' ' ' SER . . . . . . . . . . . . . 60.4 p -88.62 156.48 19.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.853 -179.761 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 716' ' ' LEU . . . . . . . . . . . . . 8.9 mt -124.99 139.34 53.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 717' ' ' ILE . . . . . . . . . . . . . 4.9 mp -125.82 142.98 40.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.163 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 718' ' ' GLY . . . . . . . . . . . . . . . -74.58 135.46 19.42 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.457 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 719' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -81.27 -45.52 16.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.831 0.348 . . . . 0.0 111.146 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 720' ' ' LYS . . . . . 0.497 ' HD2' ' N ' ' A' ' 720' ' ' LYS . 4.7 mmmm -99.15 -41.66 7.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.902 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 721' ' ' GLY . . . . . . . . . . . . . . . -71.51 -22.87 78.59 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.504 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 722' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 62.8 45.81 5.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.827 0.346 . . . . 0.0 110.914 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 723' ' ' ILE . . . . . . . . . . . . . 64.0 mt -103.54 106.5 52.3 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.638 0.732 . . . . 0.0 111.122 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 724' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -30.35 22.61 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.705 2.27 . . . . 0.0 112.344 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 725' ' ' ASN . . . . . 0.495 ' O ' ' CB ' ' A' ' 617' ' ' SER . 77.5 m-20 -101.03 41.03 1.21 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.831 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 726' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -55.55 -48.99 73.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.875 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 727' ' ' GLY . . . . . . . . . . . . . . . 160.77 -170.65 36.72 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.502 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 728' ' ' THR . . . . . . . . . . . . . 15.9 m -131.09 149.18 52.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.776 0.322 . . . . 0.0 111.187 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 729' ' ' VAL . . . . . . . . . . . . . 7.5 p -104.69 139.15 26.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.141 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -106.58 112.15 25.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.915 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 731' ' ' TYR . . . . . 0.666 ' CE2' HD22 ' A' ' 698' ' ' LEU . 10.5 p90 -143.72 174.52 10.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.902 -179.851 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 732' ' ' TRP . . . . . 0.522 ' CE2' ' HB3' ' A' ' 610' ' ' HIS . 61.4 p-90 -157.21 136.0 11.59 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.938 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 733' ' ' PHE . . . . . 0.717 ' CD1' ' CD1' ' A' ' 700' ' ' PHE . 14.3 p90 -112.41 135.02 53.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.887 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 734' ' ' ARG . . . . . . . . . . . . . 16.9 ttm180 -129.63 112.37 13.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.892 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 735' ' ' LEU . . . . . . . . . . . . . 18.5 tp -111.55 105.04 13.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.91 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 736' ' ' ARG . . . . . 0.536 ' HD3' HG12 ' A' ' 737' ' ' VAL . 1.8 tmt_? -147.13 145.69 29.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 737' ' ' VAL . . . . . 0.536 HG12 ' HD3' ' A' ' 736' ' ' ARG . 14.5 p -35.04 144.67 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.112 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 738' ' ' SER . . . . . . . . . . . . . 33.3 t -140.98 134.43 29.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 739' ' ' GLY . . . . . . . . . . . . . . . -76.76 115.13 4.28 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.462 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 740' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -173.05 0.65 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.634 2.223 . . . . 0.0 112.322 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 37.2 t -75.76 148.64 38.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.84 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 15.9 t -98.95 -50.14 4.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.849 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 743' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.484 -180.0 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 588' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 24.1 m -53.66 158.69 1.8 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.866 0.365 . . . . 0.0 110.865 -179.75 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 590' ' ' SER . . . . . . . . . . . . . 68.3 m -121.77 143.37 49.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.869 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 591' ' ' GLY . . . . . . . . . . . . . . . 170.36 -97.88 0.13 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.533 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 1.6 t -48.09 113.9 0.83 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.911 0.386 . . . . 0.0 110.824 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 24.5 m -45.49 -62.41 1.29 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.848 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 594' ' ' GLY . . . . . . . . . . . . . . . 79.58 -154.61 38.38 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.507 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 595' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -84.79 109.67 18.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.767 0.318 . . . . 0.0 110.864 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 596' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -153.0 128.39 9.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 597' ' ' THR . . . . . . . . . . . . . 81.8 p -121.96 124.83 44.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.175 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 598' ' ' ILE . . . . . . . . . . . . . 49.5 mm -51.75 -56.45 5.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.099 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 599' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -132.0 121.1 23.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 600' ' ' LEU . . . . . . . . . . . . . 8.1 mp -67.04 157.03 34.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.893 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 601' ' ' GLU . . . . . 0.806 ' OE2' HG21 ' A' ' 737' ' ' VAL . 6.4 pt-20 -80.93 145.16 31.4 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.898 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 602' ' ' ARG . . . . . 0.435 ' C ' ' CD ' ' A' ' 602' ' ' ARG . 3.1 ppt_? -84.58 26.05 0.84 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.866 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 603' ' ' GLY . . . . . . . . . . . . . . . -76.71 -101.6 0.15 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.473 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 604' ' ' GLU . . . . . 0.473 ' O ' HG23 ' A' ' 737' ' ' VAL . 0.9 OUTLIER -127.18 170.89 11.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.854 0.359 . . . . 0.0 110.895 -179.873 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 605' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -140.13 160.72 39.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 606' ' ' LEU . . . . . . . . . . . . . 9.9 tp -140.26 112.82 7.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.938 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 607' ' ' PHE . . . . . 0.578 ' CD2' ' CZ ' ' A' ' 669' ' ' PHE . 4.2 t80 -117.36 127.74 54.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 608' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -149.2 158.19 43.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 609' ' ' ILE . . . . . . . . . . . . . 42.3 mt -132.39 138.27 52.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.128 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 610' ' ' HIS . . . . . 0.439 ' CD2' ' HE1' ' A' ' 732' ' ' TRP . 4.5 t60 -125.96 128.88 48.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.831 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 41.8 mm -103.55 99.19 7.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.163 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 612' ' ' ASN . . . . . 0.438 ' ND2' ' NE2' ' A' ' 610' ' ' HIS . 1.1 m120 -60.78 -67.88 0.36 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.879 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 613' ' ' LYS . . . . . . . . . . . . . 21.7 pttm -158.31 170.45 22.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 614' ' ' VAL . . . . . 0.486 ' O ' HG13 ' A' ' 614' ' ' VAL . 9.8 p -122.58 125.32 72.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.148 179.857 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 615' ' ' THR . . . . . . . . . . . . . 5.4 m -94.93 143.66 26.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.197 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 616' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -116.02 166.91 11.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.85 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -106.97 156.02 19.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.824 -179.786 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 618' ' ' SER . . . . . 0.415 ' HA ' HD12 ' A' ' 621' ' ' LEU . 14.5 m -41.18 -59.93 1.38 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.837 -179.849 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 619' ' ' GLU . . . . . 0.619 ' OE1' HG23 ' A' ' 723' ' ' ILE . 39.4 tt0 -38.58 -46.67 1.22 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.855 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 620' ' ' VAL . . . . . . . . . . . . . 9.3 t -74.21 -47.02 42.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.085 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 621' ' ' LEU . . . . . 0.415 HD12 ' HA ' ' A' ' 618' ' ' SER . 84.8 mt -48.72 -43.93 37.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 622' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -71.8 -45.44 61.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.925 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -43.99 -51.39 7.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.065 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 57.9 m -79.74 -53.88 6.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.829 -179.745 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 625' ' ' GLY . . . . . . . . . . . . . . . 118.9 -164.38 13.08 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.509 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 626' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -85.66 46.04 1.27 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.913 0.387 . . . . 0.0 110.891 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 13.2 mmmt -121.88 -175.51 3.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.926 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 628' ' ' GLU . . . . . 0.467 ' HB3' ' N ' ' A' ' 650' ' ' GLY . 49.9 mt-10 -102.78 96.36 7.58 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.653 0.74 . . . . 0.0 110.879 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 629' ' ' PRO . . . . . 0.451 ' HG3' HD23 ' A' ' 651' ' ' LEU . 54.0 Cg_endo -69.71 108.96 2.18 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.714 2.276 . . . . 0.0 112.328 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 630' ' ' VAL . . . . . 0.855 HG22 ' HB3' ' A' ' 649' ' ' ARG . 1.7 t -82.07 123.87 38.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.111 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 631' ' ' THR . . . . . . . . . . . . . 48.5 p -125.78 178.06 5.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.152 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 632' ' ' PHE . . . . . 0.615 ' CD2' HG22 ' A' ' 647' ' ' VAL . 0.7 OUTLIER -145.74 147.5 31.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 633' ' ' CYS . . . . . 0.539 ' O ' HG23 ' A' ' 645' ' ' THR . 63.8 m -129.46 144.28 51.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.854 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 634' ' ' THR . . . . . 0.829 ' HB ' HD11 ' A' ' 642' ' ' LEU . 18.4 p -154.94 146.9 23.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.129 -179.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 635' ' ' TYR . . . . . 0.408 ' CD2' HD12 ' A' ' 680' ' ' LEU . 32.1 p90 -175.03 150.2 1.18 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 -179.854 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 636' ' ' ALA . . . . . . . . . . . . . . . -109.4 138.26 46.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.109 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 637' ' ' PHE . . . . . 0.501 ' CE1' ' HB2' ' A' ' 638' ' ' TYR . 3.2 t80 -111.79 146.92 36.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.919 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 638' ' ' TYR . . . . . 0.501 ' HB2' ' CE1' ' A' ' 637' ' ' PHE . 9.1 t80 40.03 31.41 0.09 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 -179.838 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 639' ' ' ASP . . . . . . . . . . . . . 4.6 t0 62.73 44.8 6.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.847 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 640' ' ' PHE . . . . . 0.444 ' CD2' ' HB3' ' A' ' 638' ' ' TYR . 17.7 m-85 -103.87 179.18 4.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -53.98 131.82 41.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.909 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 642' ' ' LEU . . . . . 0.829 HD11 ' HB ' ' A' ' 634' ' ' THR . 0.8 OUTLIER -47.58 126.13 9.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 643' ' ' GLN . . . . . 0.511 ' N ' HD13 ' A' ' 642' ' ' LEU . 3.1 tp60 -82.57 152.15 26.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.939 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 644' ' ' THR . . . . . . . . . . . . . 1.9 m -134.54 148.62 50.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.135 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 645' ' ' THR . . . . . 0.539 HG23 ' O ' ' A' ' 633' ' ' CYS . 0.4 OUTLIER -120.72 154.06 57.1 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.606 0.717 . . . . 0.0 111.117 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 646' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 129.14 17.13 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.672 2.248 . . . . 0.0 112.345 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 647' ' ' VAL . . . . . 0.615 HG22 ' CD2' ' A' ' 632' ' ' PHE . 97.2 t -68.42 116.45 8.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.119 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 648' ' ' VAL . . . . . 0.459 ' CG2' ' CE2' ' A' ' 655' ' ' TYR . 2.7 m -128.39 121.81 56.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.142 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 649' ' ' ARG . . . . . 0.855 ' HB3' HG22 ' A' ' 630' ' ' VAL . 9.5 ptp85 -84.61 134.96 34.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.847 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 650' ' ' GLY . . . . . 0.467 ' N ' ' HB3' ' A' ' 628' ' ' GLU . . . 150.76 165.22 12.56 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.518 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 651' ' ' LEU . . . . . 0.451 HD23 ' HG3' ' A' ' 629' ' ' PRO . 74.1 mt -77.44 -58.47 3.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.867 0.365 . . . . 0.0 110.949 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 652' ' ' HIS . . . . . . . . . . . . . 7.8 m170 -119.29 58.92 4.59 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-O 121.627 0.727 . . . . 0.0 110.885 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 653' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.75 165.31 31.4 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.687 2.258 . . . . 0.0 112.361 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -117.42 85.26 2.3 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 655' ' ' TYR . . . . . 0.459 ' CE2' ' CG2' ' A' ' 648' ' ' VAL . 77.9 m-85 -50.69 -49.87 56.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 -179.83 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 63.4 m-20 57.92 44.54 19.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.882 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 657' ' ' PHE . . . . . . . . . . . . . 83.6 t80 -92.21 107.51 19.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 17.8 m -118.4 127.73 53.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.157 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 47.7 m -151.67 115.36 4.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.858 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 660' ' ' GLN . . . . . 0.439 ' C ' ' OE1' ' A' ' 660' ' ' GLN . 0.1 OUTLIER -116.13 158.66 22.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.881 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 661' ' ' TYR . . . . . 0.433 ' CD1' ' C ' ' A' ' 660' ' ' GLN . 47.0 m-85 -152.06 139.79 19.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 -179.848 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 662' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.39 110.12 6.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.926 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 663' ' ' VAL . . . . . 0.601 ' O ' HG23 ' A' ' 663' ' ' VAL . 26.0 m -117.54 115.14 47.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.106 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 664' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -83.28 104.63 13.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.823 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 665' ' ' VAL . . . . . 0.56 HG22 ' N ' ' A' ' 666' ' ' ASN . 12.7 p -146.46 164.51 8.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.094 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 666' ' ' ASN . . . . . 0.56 ' N ' HG22 ' A' ' 665' ' ' VAL . 3.7 t-20 -116.13 -176.02 2.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 667' ' ' ASP . . . . . 0.451 ' C ' ' O ' ' A' ' 666' ' ' ASN . 8.5 m-20 -34.03 -36.48 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.841 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 668' ' ' LEU . . . . . 0.551 ' H ' HD12 ' A' ' 668' ' ' LEU . 6.0 mp -38.05 -48.03 1.17 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.936 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 669' ' ' PHE . . . . . 0.578 ' CZ ' ' CD2' ' A' ' 607' ' ' PHE . 12.1 t80 -41.74 -51.79 4.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.892 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 670' ' ' LEU . . . . . 0.583 HD22 ' HA ' ' A' ' 704' ' ' LEU . 86.9 mt -45.3 -55.09 6.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.942 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 671' ' ' GLN . . . . . 0.416 ' O ' ' C ' ' A' ' 672' ' ' TYR . 0.3 OUTLIER -45.29 -59.13 2.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 672' ' ' TYR . . . . . 0.51 ' CD1' ' C ' ' A' ' 672' ' ' TYR . 0.5 OUTLIER -37.34 -41.43 0.42 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 -179.841 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 673' ' ' ILE . . . . . 0.663 ' CD1' HD12 ' A' ' 703' ' ' ILE . 17.7 mt -64.96 -48.41 84.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.136 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 674' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -59.77 -49.24 78.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.926 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 675' ' ' LYS . . . . . . . . . . . . . 73.1 mttt -76.82 -65.49 0.94 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 676' ' ' ASN . . . . . 0.424 ' N ' ' O ' ' A' ' 672' ' ' TYR . 6.3 m-20 -93.37 159.65 15.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.905 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 7.2 p -139.32 165.86 26.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.147 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 678' ' ' ILE . . . . . 0.459 ' N ' HD12 ' A' ' 678' ' ' ILE . 4.8 mp -88.27 118.3 33.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.134 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 96.6 m -99.9 101.43 12.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.192 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 680' ' ' LEU . . . . . 0.497 ' O ' HD23 ' A' ' 680' ' ' LEU . 8.3 tt -102.43 109.86 21.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.945 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 681' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -93.81 133.14 37.52 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 682' ' ' VAL . . . . . . . . . . . . . 78.5 t -101.49 103.0 14.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.136 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 683' ' ' HIS . . . . . 0.597 ' CD2' ' HB3' ' A' ' 632' ' ' PHE . 2.2 p-80 -103.57 157.05 17.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.828 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 684' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -90.17 122.4 33.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.911 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -86.48 109.14 18.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.092 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 686' ' ' TYR . . . . . 0.446 ' O ' ' C ' ' A' ' 687' ' ' SER . 33.9 m-85 -96.48 168.92 10.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.927 -179.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 687' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 686' ' ' TYR . 8.9 m -34.89 -62.65 0.36 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.854 -179.862 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 688' ' ' THR . . . . . . . . . . . . . 26.2 p -134.6 29.52 3.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.12 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 689' ' ' GLU . . . . . 0.596 ' C ' ' CD1' ' A' ' 690' ' ' TYR . 2.2 tp10 -142.08 154.15 44.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 690' ' ' TYR . . . . . 0.596 ' CD1' ' C ' ' A' ' 689' ' ' GLU . 1.0 OUTLIER -143.53 117.8 9.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.913 -179.877 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 691' ' ' GLU . . . . . 0.46 ' HG3' ' N ' ' A' ' 692' ' ' THR . 5.2 tp10 -131.72 153.58 49.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.926 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 692' ' ' THR . . . . . 0.46 ' N ' ' HG3' ' A' ' 691' ' ' GLU . 10.8 m -90.25 122.21 32.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.153 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 693' ' ' ILE . . . . . . . . . . . . . 6.3 pt -108.26 -26.83 3.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.147 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 694' ' ' ALA . . . . . 0.581 ' HA ' HG23 ' A' ' 719' ' ' THR . . . -139.25 159.82 41.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.142 179.813 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 695' ' ' ALA . . . . . . . . . . . . . . . -156.37 139.56 15.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.093 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 696' ' ' CYS . . . . . . . . . . . . . 21.5 p -144.33 168.22 20.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 697' ' ' GLN . . . . . . . . . . . . . 32.5 mm-40 -120.1 110.65 16.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.884 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 698' ' ' LEU . . . . . . . . . . . . . 50.4 mt -79.93 129.43 34.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.911 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 699' ' ' LYS . . . . . . . . . . . . . 7.2 ptpp? -148.8 135.62 19.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.917 179.816 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 700' ' ' PHE . . . . . 0.8 ' CD1' ' CE1' ' A' ' 733' ' ' PHE . 8.5 m-85 -113.06 126.36 55.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 701' ' ' HIS . . . . . . . . . . . . . 30.4 m-70 -91.32 -56.65 3.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.881 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 702' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -55.85 -35.73 66.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.912 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 703' ' ' ILE . . . . . 0.678 ' O ' HD13 ' A' ' 703' ' ' ILE . 0.0 OUTLIER -46.65 -20.65 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.14 179.913 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 704' ' ' LEU . . . . . 0.655 HD22 HG23 ' A' ' 703' ' ' ILE . 4.2 mm? -79.64 -50.55 10.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 705' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -72.76 -44.59 61.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.897 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 706' ' ' LYS . . . . . . . . . . . . . 53.2 mtmt -94.61 -179.61 4.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.912 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 707' ' ' SER . . . . . . . . . . . . . 77.4 p -152.89 105.24 2.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.872 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 708' ' ' GLY . . . . . . . . . . . . . . . 138.71 -148.3 19.85 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.525 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 709' ' ' ARG . . . . . 0.403 ' HD2' ' C ' ' A' ' 709' ' ' ARG . 7.4 tmm_? -70.19 118.34 12.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.803 0.335 . . . . 0.0 110.863 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 710' ' ' ILE . . . . . . . . . . . . . 19.3 mt -139.03 109.86 4.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.123 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 711' ' ' PHE . . . . . . . . . . . . . 30.6 m-85 -52.39 138.99 25.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 712' ' ' CYS . . . . . . . . . . . . . 20.9 m -161.2 160.99 30.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 713' ' ' THR . . . . . . . . . . . . . 19.0 p -143.21 166.45 24.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.172 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 714' ' ' ALA . . . . . . . . . . . . . . . -146.53 149.43 33.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.099 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 715' ' ' SER . . . . . . . . . . . . . 2.9 t -95.26 153.59 17.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 -179.785 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 716' ' ' LEU . . . . . . . . . . . . . 18.6 mt -115.43 139.4 50.06 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 717' ' ' ILE . . . . . . . . . . . . . 4.6 mp -120.35 149.04 23.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.16 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 718' ' ' GLY . . . . . . . . . . . . . . . -78.8 139.64 22.37 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.439 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 719' ' ' THR . . . . . 0.581 HG23 ' HA ' ' A' ' 694' ' ' ALA . 50.9 p -87.49 -53.46 4.8 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.891 0.377 . . . . 0.0 111.141 -179.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 720' ' ' LYS . . . . . . . . . . . . . 9.1 mmpt? -64.13 -41.62 97.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 721' ' ' GLY . . . . . . . . . . . . . . . -109.84 -149.7 12.8 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.479 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 722' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -134.76 64.8 1.58 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.828 0.346 . . . . 0.0 110.888 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 723' ' ' ILE . . . . . 0.619 HG23 ' OE1' ' A' ' 619' ' ' GLU . 54.7 mt -106.72 106.36 57.67 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.611 0.72 . . . . 0.0 111.157 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 724' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -51.15 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.701 2.267 . . . . 0.0 112.355 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 725' ' ' ASN . . . . . . . . . . . . . 41.5 m-20 -88.79 43.18 1.12 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 726' ' ' PHE . . . . . . . . . . . . . 16.1 t80 -56.36 -35.89 68.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 727' ' ' GLY . . . . . . . . . . . . . . . 165.76 162.5 17.2 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.496 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 728' ' ' THR . . . . . . . . . . . . . 4.4 m -111.57 152.57 27.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.845 0.355 . . . . 0.0 111.11 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 729' ' ' VAL . . . . . 0.432 HG13 ' O ' ' A' ' 729' ' ' VAL . 14.0 p -116.76 127.69 74.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.073 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -100.77 122.47 43.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.927 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 731' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -162.01 176.07 11.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 -179.869 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 732' ' ' TRP . . . . . 0.439 ' HE1' ' CD2' ' A' ' 610' ' ' HIS . 64.6 p-90 -156.03 144.4 20.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.96 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 733' ' ' PHE . . . . . 0.8 ' CE1' ' CD1' ' A' ' 700' ' ' PHE . 13.3 p90 -114.03 172.68 6.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.905 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 734' ' ' ARG . . . . . . . . . . . . . 33.4 ttm-85 -164.09 120.61 1.64 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.845 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 735' ' ' LEU . . . . . 0.464 ' HB2' ' CD2' ' A' ' 607' ' ' PHE . 19.3 tp -131.47 104.77 7.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 736' ' ' ARG . . . . . . . . . . . . . 4.7 mmt85 -152.57 165.31 35.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 737' ' ' VAL . . . . . 0.806 HG21 ' OE2' ' A' ' 601' ' ' GLU . 9.5 p -67.29 128.74 31.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.145 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 738' ' ' SER . . . . . . . . . . . . . 18.7 t -95.49 144.12 26.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 739' ' ' GLY . . . . . 0.425 ' HA2' ' HD2' ' A' ' 740' ' ' PRO . . . 86.37 104.07 0.77 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.495 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 740' ' ' PRO . . . . . 0.425 ' HD2' ' HA2' ' A' ' 739' ' ' GLY . 53.6 Cg_endo -69.78 126.25 13.08 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.654 2.236 . . . . 0.0 112.311 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 56.8 m -72.53 104.26 3.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.827 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 15.3 m -57.41 -52.22 66.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 743' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.51 180.0 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 588' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.521 -0.232 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 3.0 t -86.14 158.72 19.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.838 0.351 . . . . 0.0 110.837 -179.715 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 590' ' ' SER . . . . . . . . . . . . . 9.8 t 68.48 42.45 1.57 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.908 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 591' ' ' GLY . . . . . . . . . . . . . . . 169.44 69.01 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.469 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 54.1 p -81.63 172.37 13.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.883 0.373 . . . . 0.0 110.859 -179.763 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 27.8 p -167.18 176.33 6.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.849 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 594' ' ' GLY . . . . . . . . . . . . . . . -150.28 -174.56 21.56 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.492 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 595' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -122.47 132.42 54.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.79 0.329 . . . . 0.0 110.842 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 596' ' ' GLU . . . . . . . . . . . . . 70.6 mm-40 -106.34 80.86 1.54 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.856 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 597' ' ' THR . . . . . . . . . . . . . 33.6 p -142.12 110.27 5.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.158 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 598' ' ' ILE . . . . . 0.773 ' H ' HD12 ' A' ' 598' ' ' ILE . 2.9 mp -76.04 -54.64 13.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.154 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 599' ' ' HIS . . . . . . . . . . . . . 10.0 p80 -118.0 178.32 4.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.855 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 600' ' ' LEU . . . . . . . . . . . . . 7.9 mt -140.69 179.18 6.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.946 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 601' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -79.74 -174.87 4.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.869 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 602' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.26 161.72 19.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.872 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 603' ' ' GLY . . . . . . . . . . . . . . . 141.64 -109.8 0.61 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.467 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 604' ' ' GLU . . . . . 0.614 ' OE1' HD21 ' A' ' 662' ' ' LEU . 25.3 mt-10 -119.32 166.04 13.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.867 0.365 . . . . 0.0 110.867 -179.871 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 605' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -124.95 156.82 37.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.873 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 606' ' ' LEU . . . . . 0.505 HD23 HH21 ' A' ' 734' ' ' ARG . 14.6 tp -142.77 111.69 6.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.891 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 607' ' ' PHE . . . . . 0.454 ' CD2' ' CZ ' ' A' ' 637' ' ' PHE . 9.2 t80 -104.87 115.76 30.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.936 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 608' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -124.9 138.32 54.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 609' ' ' ILE . . . . . . . . . . . . . 35.6 mt -123.14 128.59 75.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.104 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 610' ' ' HIS . . . . . 0.508 ' CD2' ' C ' ' A' ' 610' ' ' HIS . 0.9 OUTLIER -122.57 133.37 54.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.823 179.904 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 25.8 mm -102.16 122.44 54.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.089 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 612' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -69.4 -67.82 0.45 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 613' ' ' LYS . . . . . . . . . . . . . 36.5 pttt -170.3 178.89 3.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 614' ' ' VAL . . . . . . . . . . . . . 92.1 t -129.97 115.5 33.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.13 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 615' ' ' THR . . . . . 0.427 HG22 ' N ' ' A' ' 616' ' ' PHE . 62.5 m -87.34 154.41 20.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.095 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 616' ' ' PHE . . . . . 0.586 ' CD1' HG11 ' A' ' 620' ' ' VAL . 18.9 m-85 -125.71 146.21 49.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.884 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 1.1 t -106.51 163.58 12.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 618' ' ' SER . . . . . . . . . . . . . 31.5 m -42.9 -51.39 5.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.853 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 619' ' ' GLU . . . . . . . . . . . . . 10.5 mp0 -50.7 -35.06 29.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 620' ' ' VAL . . . . . 0.586 HG11 ' CD1' ' A' ' 616' ' ' PHE . 5.4 t -78.73 -41.96 24.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.14 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 621' ' ' LEU . . . . . . . . . . . . . 68.1 mt -59.1 -39.66 82.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.923 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 622' ' ' GLN . . . . . . . . . . . . . 29.7 mm-40 -53.29 -33.79 54.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.921 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -57.11 -19.48 19.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.131 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 1.3 t -134.82 -164.63 1.55 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.84 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 625' ' ' GLY . . . . . . . . . . . . . . . -139.8 -116.4 1.34 Allowed Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.469 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 626' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -90.06 29.52 1.21 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.861 0.362 . . . . 0.0 110.862 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 9.7 ptmm? -131.75 106.34 8.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 628' ' ' GLU . . . . . 0.407 ' HB2' ' N ' ' A' ' 650' ' ' GLY . 0.8 OUTLIER -54.37 126.58 55.06 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.652 0.739 . . . . 0.0 110.913 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 629' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 120.38 7.18 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.663 2.242 . . . . 0.0 112.355 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 630' ' ' VAL . . . . . 0.564 HG22 ' HB3' ' A' ' 649' ' ' ARG . 5.6 t -92.38 108.86 20.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.142 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 631' ' ' THR . . . . . 0.752 HG22 ' HA ' ' A' ' 684' ' ' GLN . 2.3 p -129.46 179.59 5.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.118 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 632' ' ' PHE . . . . . 0.514 ' HE1' ' HB2' ' A' ' 685' ' ' ALA . 27.2 p90 -158.58 145.82 17.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 633' ' ' CYS . . . . . . . . . . . . . 82.2 m -89.35 127.31 35.79 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 634' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -130.07 123.1 29.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.186 -179.857 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 635' ' ' TYR . . . . . 0.483 ' CD2' HD12 ' A' ' 680' ' ' LEU . 20.4 p90 -163.89 177.02 8.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.907 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 636' ' ' ALA . . . . . 0.414 ' HB2' HD12 ' A' ' 642' ' ' LEU . . . -132.16 157.44 44.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.103 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 637' ' ' PHE . . . . . 0.454 ' CZ ' ' CD2' ' A' ' 607' ' ' PHE . 46.0 t80 -122.96 142.42 50.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.867 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 638' ' ' TYR . . . . . 0.413 ' HB3' ' CD2' ' A' ' 640' ' ' PHE . 2.8 t80 47.48 27.24 0.92 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.939 -179.855 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 639' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 64.06 40.33 7.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.85 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 640' ' ' PHE . . . . . 0.413 ' CD2' ' HB3' ' A' ' 638' ' ' TYR . 11.0 m-85 -106.21 176.88 5.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.852 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -46.33 132.04 10.35 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.915 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 642' ' ' LEU . . . . . 0.414 HD12 ' HB2' ' A' ' 636' ' ' ALA . 2.8 tp -61.05 139.57 58.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 643' ' ' GLN . . . . . 0.457 ' HA ' ' NE2' ' A' ' 643' ' ' GLN . 7.2 mm-40 -103.67 120.75 41.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.932 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 644' ' ' THR . . . . . . . . . . . . . 23.9 m -96.54 115.99 28.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.145 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 645' ' ' THR . . . . . . . . . . . . . 1.3 p -76.66 158.07 81.35 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.58 0.705 . . . . 0.0 111.15 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 646' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 130.65 19.72 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.707 2.272 . . . . 0.0 112.323 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 647' ' ' VAL . . . . . . . . . . . . . 59.0 t -68.69 124.78 25.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.14 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 28.5 t -135.19 127.22 47.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.131 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 649' ' ' ARG . . . . . 0.564 ' HB3' HG22 ' A' ' 630' ' ' VAL . 0.2 OUTLIER -88.08 145.16 26.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.912 -179.953 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 650' ' ' GLY . . . . . 0.407 ' N ' ' HB2' ' A' ' 628' ' ' GLU . . . 146.14 -175.03 25.84 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.507 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 651' ' ' LEU . . . . . 0.4 HD22 ' C ' ' A' ' 650' ' ' GLY . 4.5 mm? -113.91 -37.24 4.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.827 0.346 . . . . 0.0 110.906 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 652' ' ' HIS . . . . . 0.481 ' N ' ' CD ' ' A' ' 653' ' ' PRO . 4.7 m-70 -134.06 51.38 6.36 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.563 0.697 . . . . 0.0 110.857 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 653' ' ' PRO . . . . . 0.481 ' CD ' ' N ' ' A' ' 652' ' ' HIS . 54.2 Cg_endo -69.74 -178.57 2.4 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.692 2.261 . . . . 0.0 112.35 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -133.79 91.07 2.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 655' ' ' TYR . . . . . . . . . . . . . 62.6 m-85 -45.2 -62.39 1.27 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.92 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 2.9 m120 61.61 30.15 18.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.877 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 657' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -93.49 126.54 38.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 18.6 m -121.5 144.29 48.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.101 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 83.0 p -149.23 137.49 20.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 660' ' ' GLN . . . . . 0.496 ' O ' ' CD1' ' A' ' 661' ' ' TYR . 0.0 OUTLIER -131.95 156.03 46.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.899 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 661' ' ' TYR . . . . . 0.496 ' CD1' ' O ' ' A' ' 660' ' ' GLN . 68.8 m-85 -155.18 134.78 12.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.968 -179.861 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 662' ' ' LEU . . . . . 0.614 HD21 ' OE1' ' A' ' 604' ' ' GLU . 0.3 OUTLIER -73.96 106.79 5.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 663' ' ' VAL . . . . . 0.505 ' O ' HG23 ' A' ' 663' ' ' VAL . 29.8 m -123.41 121.69 63.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.116 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 664' ' ' HIS . . . . . 0.447 ' H ' ' CD2' ' A' ' 664' ' ' HIS . 8.2 p80 -91.12 98.77 11.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.861 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 665' ' ' VAL . . . . . 0.645 HG22 ' HB2' ' A' ' 669' ' ' PHE . 2.7 p -173.57 123.63 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.103 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 666' ' ' ASN . . . . . . . . . . . . . 33.0 m-80 -116.67 -59.77 1.93 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.895 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 667' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -68.25 -60.6 2.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.88 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -54.57 -18.42 4.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.9 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 669' ' ' PHE . . . . . 0.645 ' HB2' HG22 ' A' ' 665' ' ' VAL . 1.5 t80 -71.98 -62.93 1.25 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.942 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 670' ' ' LEU . . . . . . . . . . . . . 18.8 mt -57.71 -41.96 82.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.922 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 671' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -52.5 -40.45 62.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 672' ' ' TYR . . . . . 0.565 ' CD1' ' C ' ' A' ' 672' ' ' TYR . 0.3 OUTLIER -71.58 -29.53 64.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.922 -179.886 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 673' ' ' ILE . . . . . 0.477 HG21 ' CG2' ' A' ' 703' ' ' ILE . 20.1 mm -66.1 -20.95 28.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.158 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 674' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -106.82 -35.11 7.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 675' ' ' LYS . . . . . . . . . . . . . 19.0 mtpp -66.19 -48.19 71.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.924 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 676' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -143.82 136.95 27.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.93 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 68.7 p -91.42 169.69 10.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.183 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 678' ' ' ILE . . . . . 0.503 HG22 ' N ' ' A' ' 679' ' ' THR . 17.5 mt -89.76 157.1 3.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.128 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 679' ' ' THR . . . . . 0.503 ' N ' HG22 ' A' ' 678' ' ' ILE . 71.9 m -131.29 116.69 17.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.158 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 680' ' ' LEU . . . . . 0.626 ' O ' HD23 ' A' ' 680' ' ' LEU . 7.1 tt -125.74 106.5 9.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.907 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 681' ' ' GLU . . . . . 0.461 ' HG2' ' CB ' ' A' ' 695' ' ' ALA . 13.0 mt-10 -105.71 138.79 41.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.863 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 682' ' ' VAL . . . . . . . . . . . . . 58.2 t -93.3 105.56 16.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.154 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 683' ' ' HIS . . . . . 0.478 ' N ' ' CD2' ' A' ' 683' ' ' HIS . 2.6 m170 -85.71 121.47 28.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.83 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 684' ' ' GLN . . . . . 0.752 ' HA ' HG22 ' A' ' 631' ' ' THR . 17.8 tt0 -88.01 115.1 25.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.865 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 685' ' ' ALA . . . . . 0.514 ' HB2' ' HE1' ' A' ' 632' ' ' PHE . . . -88.7 103.1 15.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.099 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 686' ' ' TYR . . . . . 0.593 ' CD2' ' O ' ' A' ' 689' ' ' GLU . 3.0 m-85 -70.24 168.88 14.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.917 -179.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 687' ' ' SER . . . . . . . . . . . . . 28.6 t -66.36 -4.01 7.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.865 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 688' ' ' THR . . . . . . . . . . . . . 11.6 p -129.52 -56.19 1.15 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.171 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 689' ' ' GLU . . . . . 0.593 ' O ' ' CD2' ' A' ' 686' ' ' TYR . 2.5 tp10 -127.89 158.72 37.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.831 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 690' ' ' TYR . . . . . 0.479 ' CD1' ' HB1' ' A' ' 685' ' ' ALA . 0.6 OUTLIER -118.15 117.01 27.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.925 -179.866 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 691' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -132.9 155.38 49.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 692' ' ' THR . . . . . . . . . . . . . 4.5 m -72.65 141.01 48.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.129 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 693' ' ' ILE . . . . . 0.424 HD13 ' NE2' ' A' ' 684' ' ' GLN . 32.3 pt -123.81 -30.62 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.105 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -131.44 162.96 28.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.096 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 695' ' ' ALA . . . . . 0.461 ' CB ' ' HG2' ' A' ' 681' ' ' GLU . . . -161.48 123.54 2.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.083 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 696' ' ' CYS . . . . . . . . . . . . . 24.5 p -130.48 171.12 13.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.845 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 697' ' ' GLN . . . . . . . . . . . . . 29.2 mm-40 -125.06 120.28 31.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.922 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 698' ' ' LEU . . . . . . . . . . . . . 4.5 mt -91.74 130.01 37.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.944 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 699' ' ' LYS . . . . . . . . . . . . . 12.5 pttt -155.48 123.45 5.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.925 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 700' ' ' PHE . . . . . 0.771 ' CD2' ' CD1' ' A' ' 733' ' ' PHE . 0.3 OUTLIER -104.29 125.47 50.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.859 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 701' ' ' HIS . . . . . . . . . . . . . 54.0 m80 -90.26 -44.72 9.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.835 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 702' ' ' GLU . . . . . 0.702 ' CB ' HG21 ' A' ' 710' ' ' ILE . 4.9 mp0 -49.39 -43.92 44.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.862 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 703' ' ' ILE . . . . . 0.499 HG22 ' O ' ' A' ' 700' ' ' PHE . 8.1 tt -47.42 -22.21 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.122 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 704' ' ' LEU . . . . . . . . . . . . . 32.0 mt -70.6 -37.09 73.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.895 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 705' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -107.61 -52.7 2.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.843 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 706' ' ' LYS . . . . . . . . . . . . . 34.0 mttt -88.49 178.04 6.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.881 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 707' ' ' SER . . . . . . . . . . . . . 58.4 m -156.87 116.85 3.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 708' ' ' GLY . . . . . . . . . . . . . . . 138.12 -161.59 25.58 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.529 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 709' ' ' ARG . . . . . . . . . . . . . 10.1 ptt180 -62.07 84.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.807 0.336 . . . . 0.0 110.842 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 710' ' ' ILE . . . . . 0.702 HG21 ' CB ' ' A' ' 702' ' ' GLU . 13.4 mt -103.54 90.41 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.129 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 711' ' ' PHE . . . . . 0.431 ' C ' ' O ' ' A' ' 710' ' ' ILE . 97.1 m-85 -35.7 138.9 0.15 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 712' ' ' CYS . . . . . . . . . . . . . 3.1 t -164.14 157.56 18.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.897 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 713' ' ' THR . . . . . . . . . . . . . 6.8 p -145.63 170.02 17.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.151 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 714' ' ' ALA . . . . . . . . . . . . . . . -146.19 147.38 31.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.073 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 715' ' ' SER . . . . . . . . . . . . . 51.1 m -85.55 158.1 20.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.845 -179.764 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 716' ' ' LEU . . . . . . . . . . . . . 13.8 mt -119.8 134.91 55.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.936 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 717' ' ' ILE . . . . . . . . . . . . . 4.7 mp -126.69 137.63 57.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.11 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 718' ' ' GLY . . . . . . . . . . . . . . . -66.6 156.17 51.29 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.452 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 719' ' ' THR . . . . . . . . . . . . . 18.3 p -89.53 -54.16 4.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.86 0.362 . . . . 0.0 111.152 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 720' ' ' LYS . . . . . . . . . . . . . 4.7 mtmp? -83.74 -70.08 0.59 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.866 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 721' ' ' GLY . . . . . . . . . . . . . . . -51.32 -25.45 12.14 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.54 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 722' ' ' ASP . . . . . . . . . . . . . 7.9 t0 64.67 38.98 6.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.828 0.347 . . . . 0.0 110.884 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 723' ' ' ILE . . . . . . . . . . . . . 15.9 mt -80.87 117.85 69.81 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.612 0.72 . . . . 0.0 111.154 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 724' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -41.79 3.96 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.691 2.261 . . . . 0.0 112.3 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 725' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -85.98 37.88 0.73 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.876 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 726' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -55.56 -35.65 65.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.888 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 727' ' ' GLY . . . . . . . . . . . . . . . 148.5 -175.14 27.92 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.487 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 728' ' ' THR . . . . . . . . . . . . . 5.8 m -132.04 149.45 52.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.773 0.321 . . . . 0.0 111.158 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 729' ' ' VAL . . . . . 0.415 HG22 ' N ' ' A' ' 730' ' ' GLU . 10.4 p -105.23 156.2 6.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.107 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 730' ' ' GLU . . . . . 0.415 ' N ' HG22 ' A' ' 729' ' ' VAL . 11.9 mp0 -127.08 114.66 18.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.865 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 731' ' ' TYR . . . . . . . . . . . . . 20.5 p90 -145.52 170.41 16.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.911 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 732' ' ' TRP . . . . . . . . . . . . . 32.3 p-90 -149.6 127.22 11.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.935 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 733' ' ' PHE . . . . . 0.771 ' CD1' ' CD2' ' A' ' 700' ' ' PHE . 36.2 p90 -112.09 146.03 38.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.866 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 734' ' ' ARG . . . . . 0.505 HH21 HD23 ' A' ' 606' ' ' LEU . 0.4 OUTLIER -147.05 123.52 11.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.869 -179.908 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 735' ' ' LEU . . . . . . . . . . . . . 24.8 tp -120.15 105.93 11.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 736' ' ' ARG . . . . . 0.43 ' O ' ' C ' ' A' ' 737' ' ' VAL . 34.1 ttm180 -144.15 138.53 28.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.91 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 737' ' ' VAL . . . . . 0.43 ' C ' ' O ' ' A' ' 736' ' ' ARG . 1.9 p -35.55 149.24 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.106 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 738' ' ' SER . . . . . . . . . . . . . 28.3 t -109.05 123.55 49.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.888 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 739' ' ' GLY . . . . . . . . . . . . . . . -163.88 106.86 0.28 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.46 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 740' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 115.45 4.1 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.673 2.249 . . . . 0.0 112.316 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 64.5 p -81.61 -51.64 8.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 5.7 m -58.62 117.96 5.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.865 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 743' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.507 -179.991 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 588' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 N-CA-C 112.453 -0.259 . . . . 0.0 112.453 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 3.5 m 61.39 42.54 11.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.902 0.382 . . . . 0.0 110.897 -179.713 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 590' ' ' SER . . . . . . . . . . . . . 6.4 m -133.72 150.31 51.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.833 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 591' ' ' GLY . . . . . . . . . . . . . . . -75.86 -170.96 30.3 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.545 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 57.8 p -148.38 126.1 11.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.876 0.37 . . . . 0.0 110.831 -179.716 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 49.4 m -40.63 137.21 1.19 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.891 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 594' ' ' GLY . . . . . . . . . . . . . . . 154.73 -99.47 0.19 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.447 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 595' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -159.12 116.8 2.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.758 0.314 . . . . 0.0 110.884 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 596' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -139.57 121.46 15.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 597' ' ' THR . . . . . . . . . . . . . 20.4 p -56.19 101.7 0.06 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.167 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 598' ' ' ILE . . . . . . . . . . . . . 23.8 mt -38.46 119.64 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.107 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 599' ' ' HIS . . . . . . . . . . . . . 17.5 m170 -47.05 127.86 10.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 600' ' ' LEU . . . . . . . . . . . . . 20.7 mt -119.14 118.1 30.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.894 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 601' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -72.36 -11.61 60.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 602' ' ' ARG . . . . . . . . . . . . . 2.9 mpt_? -86.54 101.51 13.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.863 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 603' ' ' GLY . . . . . . . . . . . . . . . 169.35 -160.11 33.26 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.486 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 604' ' ' GLU . . . . . . . . . . . . . 4.3 pm0 -62.4 158.0 18.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.86 0.362 . . . . 0.0 110.887 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 605' ' ' ASN . . . . . . . . . . . . . 9.6 m-20 -117.17 171.49 7.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.9 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 606' ' ' LEU . . . . . . . . . . . . . 12.9 tp -141.2 108.43 5.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.94 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 607' ' ' PHE . . . . . 0.744 ' CD2' ' CE1' ' A' ' 637' ' ' PHE . 13.2 t80 -90.94 104.16 16.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.934 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 608' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -112.75 135.18 53.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.837 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 609' ' ' ILE . . . . . . . . . . . . . 68.2 mt -123.3 137.39 56.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.127 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 610' ' ' HIS . . . . . . . . . . . . . 19.3 t60 -128.15 131.36 48.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.909 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 611' ' ' ILE . . . . . 0.513 HD13 ' HB3' ' A' ' 731' ' ' TYR . 23.4 mm -99.73 137.19 27.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.175 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 612' ' ' ASN . . . . . . . . . . . . . 10.6 m120 -93.5 -64.09 1.13 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 613' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.71 179.19 5.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 614' ' ' VAL . . . . . . . . . . . . . 95.1 t -130.49 113.67 26.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.15 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 615' ' ' THR . . . . . . . . . . . . . 39.3 m -87.18 127.11 35.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.172 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 616' ' ' PHE . . . . . 0.624 ' CD1' HG11 ' A' ' 620' ' ' VAL . 9.0 m-85 -105.33 158.72 16.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.845 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 6.3 p -96.35 164.67 12.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.863 -179.787 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 618' ' ' SER . . . . . . . . . . . . . 9.5 t -49.96 -62.36 1.61 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.865 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 619' ' ' GLU . . . . . 0.471 ' HG2' ' N ' ' A' ' 620' ' ' VAL . 24.3 pm0 -47.87 -31.26 4.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.92 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 620' ' ' VAL . . . . . 0.624 HG11 ' CD1' ' A' ' 616' ' ' PHE . 8.5 t -78.69 -31.39 15.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.157 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 621' ' ' LEU . . . . . 0.504 HD22 ' HG ' ' A' ' 651' ' ' LEU . 83.8 mt -70.79 -59.26 2.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.923 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 622' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -55.61 -40.45 72.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.88 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -44.75 -37.68 3.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.112 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 624' ' ' SER . . . . . 0.427 ' CB ' ' HG3' ' A' ' 629' ' ' PRO . 27.9 p -67.64 -56.22 10.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.927 -179.799 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 625' ' ' GLY . . . . . . . . . . . . . . . 116.04 -153.99 17.15 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.453 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 626' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -86.41 43.55 1.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.907 0.384 . . . . 0.0 110.881 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 10.6 ptpp? -144.49 177.31 8.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.917 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 628' ' ' GLU . . . . . 0.401 ' HA ' ' HD2' ' A' ' 629' ' ' PRO . 14.1 mm-40 -106.4 99.45 24.32 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.603 0.716 . . . . 0.0 110.878 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 629' ' ' PRO . . . . . 0.427 ' HG3' ' CB ' ' A' ' 624' ' ' SER . 53.8 Cg_endo -69.75 111.25 2.76 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.731 2.288 . . . . 0.0 112.321 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 630' ' ' VAL . . . . . 0.441 HG13 ' O ' ' A' ' 648' ' ' VAL . 9.0 t -91.4 145.6 7.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.157 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 631' ' ' THR . . . . . . . . . . . . . 1.1 p -150.24 163.38 38.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.183 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 632' ' ' PHE . . . . . 0.427 ' CD1' ' O ' ' A' ' 632' ' ' PHE . 21.5 p90 -142.67 136.54 29.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 633' ' ' CYS . . . . . 0.76 ' SG ' HG22 ' A' ' 682' ' ' VAL . 84.5 m -89.41 137.31 32.43 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 634' ' ' THR . . . . . 0.549 ' HB ' HD11 ' A' ' 642' ' ' LEU . 29.8 p -134.4 123.83 24.7 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.149 -179.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 635' ' ' TYR . . . . . 0.733 ' CD1' HD12 ' A' ' 680' ' ' LEU . 3.8 p90 -164.05 -179.68 6.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.929 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 636' ' ' ALA . . . . . . . . . . . . . . . -147.13 155.7 42.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.074 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 637' ' ' PHE . . . . . 0.744 ' CE1' ' CD2' ' A' ' 607' ' ' PHE . 9.4 t80 -122.35 132.16 54.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.897 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 638' ' ' TYR . . . . . . . . . . . . . 5.0 t80 70.75 29.1 3.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.911 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 639' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 58.87 35.6 24.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.829 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 640' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -93.4 -179.28 5.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -55.52 140.27 41.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 642' ' ' LEU . . . . . 0.549 HD11 ' HB ' ' A' ' 634' ' ' THR . 0.3 OUTLIER -67.7 117.07 9.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.933 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 643' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -92.77 124.49 36.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.902 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 644' ' ' THR . . . . . . . . . . . . . 50.2 m -91.81 134.31 34.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.159 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 645' ' ' THR . . . . . . . . . . . . . 9.8 p -85.41 155.77 59.67 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.576 0.703 . . . . 0.0 111.165 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 646' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 133.32 25.42 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.701 2.267 . . . . 0.0 112.368 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 647' ' ' VAL . . . . . . . . . . . . . 39.7 t -69.37 129.76 33.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.113 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 648' ' ' VAL . . . . . 0.441 ' O ' HG13 ' A' ' 630' ' ' VAL . 84.8 t -134.14 133.16 55.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.175 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 649' ' ' ARG . . . . . 0.409 ' N ' ' HD3' ' A' ' 649' ' ' ARG . 2.0 mpp_? -86.34 136.31 33.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 650' ' ' GLY . . . . . . . . . . . . . . . 129.62 162.38 10.83 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.521 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 651' ' ' LEU . . . . . 0.504 ' HG ' HD22 ' A' ' 621' ' ' LEU . 2.4 mm? -70.78 -56.74 5.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.858 0.361 . . . . 0.0 110.932 -179.891 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 652' ' ' HIS . . . . . 0.413 ' CD2' ' N ' ' A' ' 652' ' ' HIS . 2.0 m-70 -107.44 73.47 0.38 Allowed Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.585 0.707 . . . . 0.0 110.821 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 653' ' ' PRO . . . . . 0.409 ' HD3' ' C ' ' A' ' 651' ' ' LEU . 53.8 Cg_endo -69.81 149.2 66.26 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.691 2.261 . . . . 0.0 112.319 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -113.12 71.47 0.74 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 655' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -42.65 -52.92 4.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 2.9 m120 57.21 39.97 28.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.85 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 657' ' ' PHE . . . . . . . . . . . . . 28.7 t80 -102.24 140.77 36.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.86 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 6.8 m -132.97 137.68 46.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.176 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 54.3 p -132.34 141.1 48.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.798 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 53.2 mt-30 -105.5 152.06 23.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.923 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 661' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -141.52 111.21 6.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 662' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -73.34 101.59 3.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.918 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 663' ' ' VAL . . . . . 0.47 ' O ' HG23 ' A' ' 663' ' ' VAL . 18.6 m -131.28 115.67 30.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.154 179.818 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 664' ' ' HIS . . . . . 0.752 ' O ' HG13 ' A' ' 665' ' ' VAL . 4.1 t-80 -93.95 112.15 23.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.822 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 665' ' ' VAL . . . . . 0.752 HG13 ' O ' ' A' ' 664' ' ' HIS . 0.6 OUTLIER -167.31 169.56 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.132 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 666' ' ' ASN . . . . . . . . . . . . . 7.2 m-80 -127.28 -67.87 0.82 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 667' ' ' ASP . . . . . . . . . . . . . 50.4 m-20 -81.8 -60.23 2.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.812 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 10.8 mp -41.21 -28.83 0.11 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 669' ' ' PHE . . . . . 0.752 ' HD2' HG23 ' A' ' 665' ' ' VAL . 1.0 OUTLIER -61.11 -69.98 0.21 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.95 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 670' ' ' LEU . . . . . . . . . . . . . 43.8 mt -61.17 -42.91 99.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.924 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 671' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -54.88 -39.15 68.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.836 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 672' ' ' TYR . . . . . 0.642 ' CD1' ' C ' ' A' ' 672' ' ' TYR . 0.0 OUTLIER -71.89 -17.2 62.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.886 -179.857 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 673' ' ' ILE . . . . . 0.971 HG21 HG21 ' A' ' 703' ' ' ILE . 67.9 mt -89.2 -33.56 6.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.159 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 674' ' ' GLN . . . . . 0.569 ' HB3' HD21 ' A' ' 704' ' ' LEU . 17.2 pt20 -88.75 -36.22 16.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 675' ' ' LYS . . . . . . . . . . . . . 14.0 mmmt -75.09 -72.61 0.29 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 676' ' ' ASN . . . . . 0.475 ' OD1' ' CD2' ' A' ' 672' ' ' TYR . 3.8 p30 -94.59 153.28 17.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 677' ' ' THR . . . . . 0.412 HG22 ' HB3' ' A' ' 699' ' ' LYS . 82.4 p -117.77 163.55 16.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.167 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 678' ' ' ILE . . . . . 0.422 ' N ' HD12 ' A' ' 678' ' ' ILE . 4.6 mp -89.8 139.92 16.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.173 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 2.8 m -102.13 106.63 17.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.172 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 680' ' ' LEU . . . . . 1.063 HD13 HD11 ' A' ' 698' ' ' LEU . 5.8 tt -120.84 100.62 7.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.943 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 681' ' ' GLU . . . . . 0.474 ' HG2' ' CB ' ' A' ' 695' ' ' ALA . 59.6 mt-10 -98.34 130.39 45.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 682' ' ' VAL . . . . . 0.76 HG22 ' SG ' ' A' ' 633' ' ' CYS . 68.7 t -95.31 102.02 13.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.121 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 683' ' ' HIS . . . . . 0.483 ' N ' ' CD2' ' A' ' 683' ' ' HIS . 0.7 OUTLIER -93.69 132.65 37.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.846 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 684' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -92.34 119.97 32.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -87.23 131.81 34.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.143 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 686' ' ' TYR . . . . . 0.46 ' CD2' ' O ' ' A' ' 689' ' ' GLU . 0.6 OUTLIER -99.59 168.56 9.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.95 -179.813 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 687' ' ' SER . . . . . . . . . . . . . 17.2 m -60.95 -9.29 4.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 688' ' ' THR . . . . . . . . . . . . . 20.3 p -113.64 -72.88 0.68 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.212 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 689' ' ' GLU . . . . . 0.46 ' O ' ' CD2' ' A' ' 686' ' ' TYR . 4.2 pt-20 -123.07 -175.12 3.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 690' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -141.33 133.82 28.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.864 -179.826 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 691' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -145.13 155.5 43.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.877 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 692' ' ' THR . . . . . . . . . . . . . 62.4 m -68.89 130.89 44.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.166 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 693' ' ' ILE . . . . . . . . . . . . . 7.4 pt -122.55 -22.04 3.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.139 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -132.28 152.45 51.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.114 179.8 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 695' ' ' ALA . . . . . 0.474 ' CB ' ' HG2' ' A' ' 681' ' ' GLU . . . -150.99 127.74 10.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.127 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 696' ' ' CYS . . . . . . . . . . . . . 31.3 p -146.57 161.35 40.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 697' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -111.25 117.74 34.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.939 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 698' ' ' LEU . . . . . 1.063 HD11 HD13 ' A' ' 680' ' ' LEU . 99.0 mt -83.12 122.2 28.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.939 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 699' ' ' LYS . . . . . 0.412 ' HB3' HG22 ' A' ' 677' ' ' THR . 6.2 pttt -147.08 124.23 11.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 179.845 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 700' ' ' PHE . . . . . 0.59 ' HB3' ' CZ ' ' A' ' 733' ' ' PHE . 0.5 OUTLIER -100.5 123.88 45.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.887 179.956 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 701' ' ' HIS . . . . . . . . . . . . . 42.2 m80 -90.49 -42.47 10.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.863 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 702' ' ' GLU . . . . . 0.459 ' HB3' HG21 ' A' ' 710' ' ' ILE . 7.4 mp0 -47.87 -36.68 12.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.896 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 703' ' ' ILE . . . . . 0.971 HG21 HG21 ' A' ' 673' ' ' ILE . 1.0 OUTLIER -47.51 -30.32 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.09 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 704' ' ' LEU . . . . . 0.569 HD21 ' HB3' ' A' ' 674' ' ' GLN . 9.9 mt -74.31 -39.48 62.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.947 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 705' ' ' GLU . . . . . . . . . . . . . 73.2 mm-40 -76.37 -70.73 0.43 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.856 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 706' ' ' LYS . . . . . . . . . . . . . 11.8 mtmt -96.24 178.12 5.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.903 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 707' ' ' SER . . . . . . . . . . . . . 25.2 p -148.16 106.61 3.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.851 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 708' ' ' GLY . . . . . . . . . . . . . . . 144.62 -138.98 8.19 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.496 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 709' ' ' ARG . . . . . . . . . . . . . 8.1 ttm180 -62.82 94.31 0.06 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.794 0.331 . . . . 0.0 110.846 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 710' ' ' ILE . . . . . 0.459 HG21 ' HB3' ' A' ' 702' ' ' GLU . 7.7 mt -135.81 126.72 43.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.127 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 711' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -112.67 154.02 26.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.878 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 712' ' ' CYS . . . . . . . . . . . . . 1.8 t -160.37 178.14 9.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.891 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 713' ' ' THR . . . . . 0.425 ' HB ' ' CG2' ' A' ' 728' ' ' THR . 28.7 p -135.55 155.63 50.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.112 -179.857 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 714' ' ' ALA . . . . . . . . . . . . . . . -122.16 168.82 11.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.097 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 715' ' ' SER . . . . . . . . . . . . . 41.0 t -104.76 133.02 50.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.852 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 716' ' ' LEU . . . . . 0.58 ' C ' HD12 ' A' ' 717' ' ' ILE . 12.2 mt -103.74 150.54 23.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.932 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 717' ' ' ILE . . . . . 0.58 HD12 ' C ' ' A' ' 716' ' ' LEU . 4.6 mp -137.2 144.76 31.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.138 179.826 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 718' ' ' GLY . . . . . . . . . . . . . . . -82.19 162.62 42.46 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.455 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 719' ' ' THR . . . . . . . . . . . . . 47.0 p -98.64 -57.23 2.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.895 0.379 . . . . 0.0 111.145 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 720' ' ' LYS . . . . . . . . . . . . . 7.5 mptt -81.16 -48.47 12.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.917 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 721' ' ' GLY . . . . . . . . . . . . . . . -74.62 -16.46 80.16 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.438 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 722' ' ' ASP . . . . . . . . . . . . . 38.1 m-20 54.58 39.08 30.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.792 0.329 . . . . 0.0 110.847 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 723' ' ' ILE . . . . . . . . . . . . . 75.3 mt -84.25 110.47 26.66 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.599 0.714 . . . . 0.0 111.099 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 724' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -27.28 26.49 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.709 2.272 . . . . 0.0 112.341 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 725' ' ' ASN . . . . . . . . . . . . . 47.6 t-20 -106.49 43.56 1.14 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.912 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 726' ' ' PHE . . . . . 0.433 ' O ' HG21 ' A' ' 620' ' ' VAL . 10.7 t80 -56.08 -36.58 68.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 727' ' ' GLY . . . . . . . . . . . . . . . 157.17 170.11 21.73 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.493 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 728' ' ' THR . . . . . 0.425 ' CG2' ' HB ' ' A' ' 713' ' ' THR . 7.5 m -110.97 147.1 35.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.843 0.354 . . . . 0.0 111.145 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 729' ' ' VAL . . . . . . . . . . . . . 11.0 p -112.22 135.8 50.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.161 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -110.08 125.39 52.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 731' ' ' TYR . . . . . 0.513 ' HB3' HD13 ' A' ' 611' ' ' ILE . 3.5 p90 -143.98 177.83 8.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.969 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 732' ' ' TRP . . . . . 0.586 ' CZ2' ' HB2' ' A' ' 734' ' ' ARG . 7.6 t90 -149.8 134.88 17.99 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.953 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 733' ' ' PHE . . . . . 0.59 ' CZ ' ' HB3' ' A' ' 700' ' ' PHE . 12.8 p90 -129.36 149.54 51.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.926 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 734' ' ' ARG . . . . . 0.586 ' HB2' ' CZ2' ' A' ' 732' ' ' TRP . 34.6 ttt180 -141.1 158.44 43.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.865 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 735' ' ' LEU . . . . . 0.544 HD13 ' CZ ' ' A' ' 669' ' ' PHE . 23.5 tp -141.04 105.02 4.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.919 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 736' ' ' ARG . . . . . . . . . . . . . 5.4 tpm_? -152.31 136.85 16.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.863 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 737' ' ' VAL . . . . . 0.406 HG22 ' N ' ' A' ' 738' ' ' SER . 9.0 p -38.49 153.68 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.123 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 738' ' ' SER . . . . . 0.406 ' N ' HG22 ' A' ' 737' ' ' VAL . 22.2 t -111.53 145.85 38.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.827 -179.836 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 739' ' ' GLY . . . . . . . . . . . . . . . -81.15 129.18 8.87 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.507 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 740' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 110.99 2.68 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.655 2.237 . . . . 0.0 112.353 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 1.9 m -78.99 -53.59 6.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 20.1 p -113.79 177.87 4.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.807 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 743' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.508 -179.971 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 588' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 42.4 t -161.56 142.07 10.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.876 0.37 . . . . 0.0 110.855 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 590' ' ' SER . . . . . . . . . . . . . 22.3 t -105.68 -58.69 1.87 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.897 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 591' ' ' GLY . . . . . . . . . . . . . . . 141.91 -101.58 0.28 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.465 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 32.3 t -144.91 152.74 40.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.82 0.343 . . . . 0.0 110.872 -179.694 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 24.9 p -154.63 177.33 11.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.841 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 594' ' ' GLY . . . . . . . . . . . . . . . 154.09 -70.39 0.29 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.489 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 595' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -139.0 110.18 6.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.771 0.319 . . . . 0.0 110.87 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 596' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -106.49 106.08 16.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.861 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 597' ' ' THR . . . . . . . . . . . . . 12.1 p -66.29 113.13 4.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.122 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 598' ' ' ILE . . . . . 0.609 HG22 ' O ' ' A' ' 598' ' ' ILE . 62.6 mt -109.86 53.42 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.136 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 599' ' ' HIS . . . . . . . . . . . . . 6.3 p-80 -134.43 47.25 2.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.822 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 600' ' ' LEU . . . . . . . . . . . . . 10.5 mt -139.9 133.93 30.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.883 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 601' ' ' GLU . . . . . 0.404 ' OE1' HG11 ' A' ' 737' ' ' VAL . 57.7 mt-10 -61.44 168.6 2.68 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.887 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 602' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.85 166.6 11.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.876 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 603' ' ' GLY . . . . . . . . . . . . . . . 120.94 -133.58 9.75 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.527 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 604' ' ' GLU . . . . . . . . . . . . . 2.6 pm0 -88.39 139.75 30.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.797 0.332 . . . . 0.0 110.926 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 605' ' ' ASN . . . . . . . . . . . . . 34.9 m120 -116.05 165.78 12.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.919 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 606' ' ' LEU . . . . . 0.426 HD12 ' O ' ' A' ' 661' ' ' TYR . 9.3 tp -140.12 140.59 36.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.898 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 607' ' ' PHE . . . . . 0.4 ' CE2' ' HZ ' ' A' ' 669' ' ' PHE . 31.9 t80 -139.4 124.72 19.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 608' ' ' GLU . . . . . . . . . . . . . 18.5 pt-20 -128.96 147.06 50.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.931 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 609' ' ' ILE . . . . . . . . . . . . . 39.4 mt -123.27 129.44 74.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.174 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 610' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -125.89 118.3 25.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.863 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 32.4 mm -86.56 121.94 38.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.124 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 612' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -72.68 -67.84 0.53 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.918 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 613' ' ' LYS . . . . . . . . . . . . . 2.4 ptpt -166.4 179.08 5.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.883 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 614' ' ' VAL . . . . . . . . . . . . . 70.7 t -127.16 110.85 23.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.101 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 615' ' ' THR . . . . . . . . . . . . . 89.7 m -87.36 145.06 26.48 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.137 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 616' ' ' PHE . . . . . 0.513 ' HB3' ' CG2' ' A' ' 620' ' ' VAL . 32.7 m-85 -127.67 167.78 15.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.899 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 617' ' ' SER . . . . . 0.472 ' O ' ' N ' ' A' ' 619' ' ' GLU . 27.1 t -109.01 146.57 33.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.846 -179.773 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 618' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 617' ' ' SER . 22.4 t -35.3 -32.98 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.841 -179.795 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 619' ' ' GLU . . . . . 0.728 ' HG3' HD13 ' A' ' 723' ' ' ILE . 4.0 tp10 -46.72 -68.93 0.15 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.831 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 620' ' ' VAL . . . . . 0.513 ' CG2' ' HB3' ' A' ' 616' ' ' PHE . 34.0 m -65.81 -38.59 82.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.166 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 621' ' ' LEU . . . . . . . . . . . . . 29.3 mt -48.78 -50.27 34.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.921 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 622' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -76.37 -46.35 27.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -48.06 -43.1 30.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.088 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 73.9 m -63.8 -53.1 56.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 625' ' ' GLY . . . . . . . . . . . . . . . 105.47 -155.01 17.06 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.447 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 626' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -83.35 45.59 1.05 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.835 0.35 . . . . 0.0 110.876 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 10.0 ptmt -143.74 143.57 31.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -97.05 104.69 19.92 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-O 121.699 0.761 . . . . 0.0 110.881 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 629' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.8 116.72 4.69 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.66 2.24 . . . . 0.0 112.363 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 630' ' ' VAL . . . . . 0.712 HG22 ' HB3' ' A' ' 649' ' ' ARG . 4.7 t -80.36 123.56 37.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.164 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 631' ' ' THR . . . . . 0.591 HG22 ' HB3' ' A' ' 684' ' ' GLN . 38.9 p -133.49 165.43 24.89 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.119 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 632' ' ' PHE . . . . . 0.641 ' CE2' ' NE2' ' A' ' 683' ' ' HIS . 18.5 p90 -147.63 140.6 24.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.855 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 633' ' ' CYS . . . . . . . . . . . . . 73.3 m -93.14 129.51 39.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.852 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 634' ' ' THR . . . . . . . . . . . . . 10.9 p -135.66 122.19 20.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.133 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 635' ' ' TYR . . . . . 0.416 ' C ' HD22 ' A' ' 642' ' ' LEU . 32.1 p90 -155.97 162.78 40.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 636' ' ' ALA . . . . . 0.582 ' HB2' HD22 ' A' ' 642' ' ' LEU . . . -114.46 128.54 56.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.127 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 637' ' ' PHE . . . . . 0.655 ' O ' ' CD1' ' A' ' 640' ' ' PHE . 54.5 t80 -105.44 158.9 16.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 638' ' ' TYR . . . . . 0.62 ' HB3' ' CE2' ' A' ' 640' ' ' PHE . 7.3 t80 45.39 25.02 0.19 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 -179.821 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 639' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 51.01 54.97 10.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.924 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 640' ' ' PHE . . . . . 0.655 ' CD1' ' O ' ' A' ' 637' ' ' PHE . 0.0 OUTLIER -137.75 -171.61 3.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.853 -179.835 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 641' ' ' GLU . . . . . 0.458 ' C ' ' O ' ' A' ' 640' ' ' PHE . 16.3 pt-20 -33.24 123.7 0.4 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.915 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 642' ' ' LEU . . . . . 0.684 HD13 ' N ' ' A' ' 643' ' ' GLN . 0.7 OUTLIER -62.45 117.31 5.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.885 -179.92 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 643' ' ' GLN . . . . . 0.684 ' N ' HD13 ' A' ' 642' ' ' LEU . 8.5 mm-40 -78.72 125.15 28.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.905 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 644' ' ' THR . . . . . . . . . . . . . 60.1 m -106.05 134.18 49.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.137 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 645' ' ' THR . . . . . . . . . . . . . 73.3 p -95.55 152.55 39.29 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.55 0.691 . . . . 0.0 111.119 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 646' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 144.26 53.65 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.652 2.234 . . . . 0.0 112.387 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 647' ' ' VAL . . . . . 0.408 ' CG1' ' CG1' ' A' ' 630' ' ' VAL . 58.3 t -68.34 126.18 27.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.126 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 92.6 t -136.21 111.92 11.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.15 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 649' ' ' ARG . . . . . 0.712 ' HB3' HG22 ' A' ' 630' ' ' VAL . 0.0 OUTLIER -84.95 146.4 27.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.848 -179.936 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 650' ' ' GLY . . . . . . . . . . . . . . . 133.8 162.66 10.11 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.47 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 651' ' ' LEU . . . . . 0.554 HD22 ' N ' ' A' ' 651' ' ' LEU . 1.5 mm? -81.71 -52.2 7.4 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.868 0.366 . . . . 0.0 110.861 -179.857 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 652' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 -127.46 57.08 22.12 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.615 0.722 . . . . 0.0 110.895 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 653' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 -170.19 0.37 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.705 2.27 . . . . 0.0 112.361 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 81.5 mt-10 -132.78 77.26 1.73 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.908 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 655' ' ' TYR . . . . . . . . . . . . . 90.2 m-85 -38.85 -57.24 1.25 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.926 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 7.2 m-20 55.73 40.76 30.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.903 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 657' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -94.42 103.57 15.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 6.3 m -117.45 107.41 14.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.168 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 58.2 p -109.28 148.82 30.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.852 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -118.74 121.47 40.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.86 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 661' ' ' TYR . . . . . 0.426 ' O ' HD12 ' A' ' 606' ' ' LEU . 13.3 m-85 -130.49 122.84 28.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.962 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 662' ' ' LEU . . . . . 0.406 ' HA ' HD22 ' A' ' 662' ' ' LEU . 0.6 OUTLIER -72.41 102.16 3.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.927 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 663' ' ' VAL . . . . . 0.558 ' O ' HG23 ' A' ' 663' ' ' VAL . 35.0 m -115.23 115.58 49.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.12 179.857 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 664' ' ' HIS . . . . . 0.542 ' O ' ' CD2' ' A' ' 664' ' ' HIS . 50.1 p-80 -90.87 99.41 12.45 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 665' ' ' VAL . . . . . 0.527 HG11 ' CZ ' ' A' ' 638' ' ' TYR . 4.0 m -156.49 149.8 10.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.125 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 666' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -134.96 -62.97 0.71 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 667' ' ' ASP . . . . . . . . . . . . . 40.5 t0 -83.89 -60.09 2.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.862 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 16.6 mt -41.39 -41.88 2.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.932 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 669' ' ' PHE . . . . . 0.4 ' HZ ' ' CE2' ' A' ' 607' ' ' PHE . 3.7 t80 -49.95 -70.72 0.08 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 670' ' ' LEU . . . . . . . . . . . . . 71.3 mt -49.64 -53.15 25.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.911 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 671' ' ' GLN . . . . . 0.421 ' O ' ' CG ' ' A' ' 675' ' ' LYS . 23.8 mt-30 -45.97 -38.22 7.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 672' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -73.64 -47.98 35.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.952 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 673' ' ' ILE . . . . . . . . . . . . . 29.5 mm -44.32 -45.96 2.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.142 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 674' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -83.81 -54.54 4.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.873 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 675' ' ' LYS . . . . . 0.421 ' CG ' ' O ' ' A' ' 671' ' ' GLN . 79.7 mttt -46.78 -58.83 3.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.897 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 676' ' ' ASN . . . . . . . . . . . . . 7.7 m-80 -119.7 159.07 25.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 11.6 p -119.69 165.8 14.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.142 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 678' ' ' ILE . . . . . . . . . . . . . 15.9 mt -90.02 147.35 5.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.119 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 51.5 m -121.04 101.42 7.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.112 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 680' ' ' LEU . . . . . 0.769 ' O ' HD23 ' A' ' 680' ' ' LEU . 6.5 tt -109.7 101.21 10.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.923 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 681' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -96.69 132.45 42.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 682' ' ' VAL . . . . . 0.422 ' O ' ' HB3' ' A' ' 694' ' ' ALA . 61.8 t -102.91 97.18 5.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.135 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 683' ' ' HIS . . . . . 0.641 ' NE2' ' CE2' ' A' ' 632' ' ' PHE . 5.4 p-80 -106.27 158.31 16.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.84 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 684' ' ' GLN . . . . . 0.591 ' HB3' HG22 ' A' ' 631' ' ' THR . 13.6 pt20 -109.35 147.13 33.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -98.65 104.53 16.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.088 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 686' ' ' TYR . . . . . 0.532 ' CZ ' ' HG3' ' A' ' 684' ' ' GLN . 21.1 m-85 -78.76 167.57 21.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.938 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 687' ' ' SER . . . . . . . . . . . . . 7.3 t -40.4 -61.76 0.86 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.821 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 688' ' ' THR . . . . . . . . . . . . . 8.8 t -134.81 33.6 3.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.159 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 689' ' ' GLU . . . . . 0.519 ' C ' ' CD1' ' A' ' 690' ' ' TYR . 5.7 mp0 -140.92 161.59 37.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.892 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 690' ' ' TYR . . . . . 0.519 ' CD1' ' C ' ' A' ' 689' ' ' GLU . 56.9 m-85 -154.23 118.68 4.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.93 -179.861 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 691' ' ' GLU . . . . . 0.458 ' HG3' ' N ' ' A' ' 692' ' ' THR . 33.3 tp10 -149.63 155.58 40.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.857 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 692' ' ' THR . . . . . 0.458 ' N ' ' HG3' ' A' ' 691' ' ' GLU . 25.8 m -85.8 119.77 26.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.128 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 693' ' ' ILE . . . . . 0.525 HD12 ' HB2' ' A' ' 694' ' ' ALA . 2.6 pp -108.14 -24.05 4.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.122 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 694' ' ' ALA . . . . . 0.525 ' HB2' HD12 ' A' ' 693' ' ' ILE . . . -130.98 152.47 50.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.08 179.821 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 695' ' ' ALA . . . . . . . . . . . . . . . -164.43 133.63 3.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.12 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 696' ' ' CYS . . . . . . . . . . . . . 28.1 p -149.75 162.12 40.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.851 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 697' ' ' GLN . . . . . . . . . . . . . 7.0 mm-40 -112.84 111.43 22.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.921 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 698' ' ' LEU . . . . . 0.703 HD11 HD13 ' A' ' 680' ' ' LEU . 61.6 mt -82.71 135.08 35.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.874 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 699' ' ' LYS . . . . . . . . . . . . . 7.3 ptpt -154.73 128.83 8.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.945 179.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 700' ' ' PHE . . . . . 0.645 ' CD1' ' CE1' ' A' ' 733' ' ' PHE . 4.9 m-85 -100.78 124.91 47.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.899 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 701' ' ' HIS . . . . . . . . . . . . . 33.2 m-70 -91.17 -57.3 2.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.832 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 702' ' ' GLU . . . . . 0.775 ' HB2' HG21 ' A' ' 710' ' ' ILE . 50.2 mm-40 -43.33 -44.87 5.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 703' ' ' ILE . . . . . 0.411 HG22 ' O ' ' A' ' 700' ' ' PHE . 18.2 tt -47.27 -38.03 4.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.114 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 704' ' ' LEU . . . . . . . . . . . . . 17.2 mt -64.81 -36.89 85.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.886 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 705' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -95.47 -64.93 1.01 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.924 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 706' ' ' LYS . . . . . 0.474 ' N ' ' O ' ' A' ' 702' ' ' GLU . 15.6 mttm -82.55 179.64 7.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 707' ' ' SER . . . . . . . . . . . . . 1.1 t -147.95 130.1 15.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.856 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 708' ' ' GLY . . . . . . . . . . . . . . . 117.67 -154.53 16.61 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.494 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 709' ' ' ARG . . . . . 0.431 ' C ' HG13 ' A' ' 710' ' ' ILE . 5.7 ptp180 -61.15 122.08 14.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.796 0.331 . . . . 0.0 110.88 -179.87 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 710' ' ' ILE . . . . . 0.775 HG21 ' HB2' ' A' ' 702' ' ' GLU . 15.6 mt -141.25 116.49 6.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.155 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 711' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 -77.06 125.18 28.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 712' ' ' CYS . . . . . . . . . . . . . 1.7 m -150.76 160.34 43.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.891 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 713' ' ' THR . . . . . . . . . . . . . 32.1 p -142.2 164.53 29.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.152 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 714' ' ' ALA . . . . . . . . . . . . . . . -136.8 151.97 49.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.101 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 715' ' ' SER . . . . . . . . . . . . . 4.9 t -89.86 152.64 21.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.851 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 716' ' ' LEU . . . . . . . . . . . . . 11.1 mt -118.46 144.49 45.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.877 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 717' ' ' ILE . . . . . . . . . . . . . 5.2 mp -132.72 139.04 50.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.108 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 718' ' ' GLY . . . . . . . . . . . . . . . -83.39 132.13 10.87 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.501 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 719' ' ' THR . . . . . . . . . . . . . 55.9 p -79.28 -49.01 13.13 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.849 0.357 . . . . 0.0 111.15 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 720' ' ' LYS . . . . . . . . . . . . . 25.6 mmtt -77.42 -43.82 31.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.901 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 721' ' ' GLY . . . . . . . . . . . . . . . -78.63 -20.3 71.64 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.451 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 722' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 56.94 42.55 26.1 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.804 0.335 . . . . 0.0 110.847 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 723' ' ' ILE . . . . . 0.728 HD13 ' HG3' ' A' ' 619' ' ' GLU . 31.3 mt -106.59 116.3 59.22 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.58 0.705 . . . . 0.0 111.128 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 724' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.76 -38.08 8.28 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.671 2.247 . . . . 0.0 112.331 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 725' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -85.14 39.42 0.77 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.858 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 726' ' ' PHE . . . . . 0.426 ' CZ ' HG11 ' A' ' 620' ' ' VAL . 4.2 t80 -57.4 -48.78 78.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.883 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 727' ' ' GLY . . . . . . . . . . . . . . . 155.88 173.4 24.45 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.486 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 728' ' ' THR . . . . . . . . . . . . . 7.5 m -114.82 152.85 31.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.803 0.335 . . . . 0.0 111.154 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 729' ' ' VAL . . . . . . . . . . . . . 7.6 p -108.83 141.39 24.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.114 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -112.09 107.24 16.1 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 731' ' ' TYR . . . . . . . . . . . . . 5.3 p90 -125.08 177.41 6.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.954 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 732' ' ' TRP . . . . . 0.59 ' CZ2' ' HB2' ' A' ' 734' ' ' ARG . 24.6 t90 -156.39 128.78 7.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.937 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 733' ' ' PHE . . . . . 0.645 ' CE1' ' CD1' ' A' ' 700' ' ' PHE . 30.3 p90 -128.67 153.28 47.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.869 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 734' ' ' ARG . . . . . 0.59 ' HB2' ' CZ2' ' A' ' 732' ' ' TRP . 0.0 OUTLIER -145.52 121.19 10.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.855 -179.874 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 735' ' ' LEU . . . . . . . . . . . . . 41.8 tp -118.7 112.64 20.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.907 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 736' ' ' ARG . . . . . . . . . . . . . 39.1 mtp180 -154.97 152.13 29.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 737' ' ' VAL . . . . . 0.404 HG11 ' OE1' ' A' ' 601' ' ' GLU . 9.0 p -49.15 137.7 4.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.139 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 738' ' ' SER . . . . . . . . . . . . . 14.4 t -101.29 136.17 41.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.857 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 739' ' ' GLY . . . . . . . . . . . . . . . -50.75 145.25 10.66 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.472 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 740' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 148.31 64.84 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.65 2.234 . . . . 0.0 112.395 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 41.1 t -161.81 151.89 16.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.877 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 60.4 p -167.88 105.15 0.5 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 743' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.501 -179.944 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 588' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 1.1 t -83.0 138.59 33.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.867 0.365 . . . . 0.0 110.85 -179.74 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 590' ' ' SER . . . . . . . . . . . . . 3.7 t -69.62 -50.13 47.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.874 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 591' ' ' GLY . . . . . . . . . . . . . . . -139.9 116.54 1.21 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.478 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 98.7 p -75.14 135.99 41.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.833 0.349 . . . . 0.0 110.835 -179.7 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 3.2 m -65.35 -52.93 50.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.834 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 594' ' ' GLY . . . . . 0.407 ' O ' ' CG ' ' A' ' 595' ' ' ASP . . . 137.94 92.12 0.27 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.482 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 595' ' ' ASP . . . . . 0.407 ' CG ' ' O ' ' A' ' 594' ' ' GLY . 40.1 m-20 -161.11 158.14 27.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.775 0.322 . . . . 0.0 110.897 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 596' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -87.5 79.88 8.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.878 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 597' ' ' THR . . . . . . . . . . . . . 33.0 p -127.67 108.03 10.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.154 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 598' ' ' ILE . . . . . . . . . . . . . 10.0 mm -107.77 65.4 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.108 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 599' ' ' HIS . . . . . 0.463 ' HD2' HD12 ' A' ' 600' ' ' LEU . 0.1 OUTLIER -122.3 21.79 10.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.817 179.893 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 600' ' ' LEU . . . . . 0.463 HD12 ' HD2' ' A' ' 599' ' ' HIS . 5.9 mp -102.38 179.39 4.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 601' ' ' GLU . . . . . 0.445 ' O ' ' C ' ' A' ' 602' ' ' ARG . 12.7 pt-20 -75.07 153.95 38.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 602' ' ' ARG . . . . . 0.559 ' O ' HG23 ' A' ' 737' ' ' VAL . 0.4 OUTLIER -34.81 112.11 0.14 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.85 -179.897 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 603' ' ' GLY . . . . . . . . . . . . . . . -38.58 -62.74 1.09 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.49 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 604' ' ' GLU . . . . . . . . . . . . . 24.0 pm0 -41.03 149.04 0.1 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.867 0.365 . . . . 0.0 110.907 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 605' ' ' ASN . . . . . . . . . . . . . 19.4 m-80 -132.4 168.28 18.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.899 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 606' ' ' LEU . . . . . 0.606 HD23 ' N ' ' A' ' 607' ' ' PHE . 2.9 tt -138.83 128.79 25.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.943 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 607' ' ' PHE . . . . . 0.606 ' N ' HD23 ' A' ' 606' ' ' LEU . 12.3 t80 -112.57 115.37 28.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 608' ' ' GLU . . . . . 0.463 ' CD ' HD22 ' A' ' 606' ' ' LEU . 20.1 mp0 -103.89 149.39 25.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.894 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 609' ' ' ILE . . . . . 0.541 HD11 ' CE2' ' A' ' 607' ' ' PHE . 87.7 mt -148.78 114.02 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.129 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 610' ' ' HIS . . . . . 0.578 ' CD2' ' C ' ' A' ' 610' ' ' HIS . 0.4 OUTLIER -120.17 143.02 48.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.814 179.89 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 17.0 mm -107.12 126.57 63.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.108 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 612' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -75.79 -67.05 0.71 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.903 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 613' ' ' LYS . . . . . . . . . . . . . 17.4 pttt -170.61 178.84 3.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.89 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 614' ' ' VAL . . . . . . . . . . . . . 88.0 t -126.46 112.2 28.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.147 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 615' ' ' THR . . . . . . . . . . . . . 25.9 m -87.5 140.18 29.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.177 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 616' ' ' PHE . . . . . 0.522 ' CD1' HG11 ' A' ' 620' ' ' VAL . 18.3 m-85 -110.64 157.99 19.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.942 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 617' ' ' SER . . . . . . . . . . . . . 1.3 t -112.98 172.82 6.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 618' ' ' SER . . . . . . . . . . . . . 23.4 p -49.18 -57.29 6.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.855 -179.812 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 619' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -45.29 -36.19 3.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.899 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 620' ' ' VAL . . . . . 0.62 HG21 ' O ' ' A' ' 726' ' ' PHE . 5.6 t -77.71 -41.67 28.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.13 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 621' ' ' LEU . . . . . . . . . . . . . 93.0 mt -61.97 -46.61 88.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 622' ' ' GLN . . . . . . . . . . . . . 60.8 mt-30 -56.64 -40.34 75.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.953 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -50.24 -29.62 9.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.058 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 2.7 t -134.19 -164.7 1.54 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.849 -179.771 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 625' ' ' GLY . . . . . . . . . . . . . . . -117.22 -140.94 6.79 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.523 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 626' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -101.81 34.62 2.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.901 0.381 . . . . 0.0 110.871 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 627' ' ' LYS . . . . . 0.457 ' O ' ' C ' ' A' ' 628' ' ' GLU . 9.1 pttp -100.57 107.95 19.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 628' ' ' GLU . . . . . 0.457 ' C ' ' O ' ' A' ' 627' ' ' LYS . 51.0 mt-10 -33.55 96.65 0.1 Allowed Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.64 0.733 . . . . 0.0 110.908 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 629' ' ' PRO . . . . . 0.506 ' CD ' HD22 ' A' ' 651' ' ' LEU . 54.0 Cg_endo -69.73 113.52 3.4 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.701 2.267 . . . . 0.0 112.355 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 630' ' ' VAL . . . . . 0.644 HG22 ' HG2' ' A' ' 649' ' ' ARG . 10.7 t -80.07 116.02 23.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.146 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 631' ' ' THR . . . . . 0.703 ' O ' HG23 ' A' ' 647' ' ' VAL . 33.8 p -144.38 175.07 10.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.14 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 632' ' ' PHE . . . . . . . . . . . . . 27.7 p90 -167.54 152.0 6.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.868 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 633' ' ' CYS . . . . . . . . . . . . . 63.4 m -95.09 152.49 18.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 634' ' ' THR . . . . . . . . . . . . . 2.5 p -150.08 128.89 12.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.16 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 635' ' ' TYR . . . . . 0.503 ' CD1' HD12 ' A' ' 680' ' ' LEU . 15.2 p90 -168.83 165.72 11.66 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.911 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 636' ' ' ALA . . . . . 0.498 ' HB2' HD22 ' A' ' 642' ' ' LEU . . . -130.05 153.73 48.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.137 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 637' ' ' PHE . . . . . 0.483 ' CD1' ' HB2' ' A' ' 638' ' ' TYR . 39.4 t80 -127.42 134.68 49.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.836 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 638' ' ' TYR . . . . . 0.567 ' HB3' ' CD2' ' A' ' 640' ' ' PHE . 4.2 t80 63.45 28.87 15.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.922 -179.867 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 639' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 59.01 34.58 23.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.888 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 640' ' ' PHE . . . . . 0.567 ' CD2' ' HB3' ' A' ' 638' ' ' TYR . 10.2 m-85 -94.37 174.67 7.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -48.76 129.99 17.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.868 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 642' ' ' LEU . . . . . 0.498 HD22 ' HB2' ' A' ' 636' ' ' ALA . 0.6 OUTLIER -57.95 110.6 0.95 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.9 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 643' ' ' GLN . . . . . . . . . . . . . 2.9 tp60 -79.53 125.15 29.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 644' ' ' THR . . . . . . . . . . . . . 50.0 m -100.04 130.17 46.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.116 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 645' ' ' THR . . . . . . . . . . . . . 57.7 p -89.23 152.8 48.33 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.584 0.706 . . . . 0.0 111.102 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 646' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 115.79 4.25 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.692 2.262 . . . . 0.0 112.387 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 647' ' ' VAL . . . . . 0.703 HG23 ' O ' ' A' ' 631' ' ' THR . 7.4 p -71.05 141.64 16.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.138 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 57.8 t -138.02 140.78 39.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.103 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 649' ' ' ARG . . . . . 0.644 ' HG2' HG22 ' A' ' 630' ' ' VAL . 40.7 mtm180 -85.55 124.77 32.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.847 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 650' ' ' GLY . . . . . 0.402 ' N ' ' HB3' ' A' ' 628' ' ' GLU . . . 147.27 159.18 8.2 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.481 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 651' ' ' LEU . . . . . 0.506 HD22 ' CD ' ' A' ' 629' ' ' PRO . 4.1 mm? -64.36 -59.44 4.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.888 0.375 . . . . 0.0 110.916 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 652' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -113.33 80.99 4.79 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.615 0.721 . . . . 0.0 110.875 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 653' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 161.91 44.11 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.682 2.255 . . . . 0.0 112.354 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -125.66 75.02 1.45 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.896 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 655' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -45.35 -62.39 1.29 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.91 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 20.2 m-80 61.86 35.68 16.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.893 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 657' ' ' PHE . . . . . . . . . . . . . 11.5 t80 -95.1 146.22 24.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 13.5 m -121.39 144.76 48.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.155 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 17.0 m -117.83 149.31 41.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.825 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -153.05 128.89 10.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.921 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 661' ' ' TYR . . . . . . . . . . . . . 75.2 m-85 -154.34 135.65 14.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.955 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 662' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -78.91 109.96 13.67 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.939 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 663' ' ' VAL . . . . . 0.535 ' O ' HG23 ' A' ' 663' ' ' VAL . 25.6 m -128.36 119.96 51.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.149 179.824 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 664' ' ' HIS . . . . . . . . . . . . . 10.0 t-80 -98.68 98.33 9.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 665' ' ' VAL . . . . . . . . . . . . . 2.5 p -175.11 137.67 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.14 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 666' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -132.55 -69.35 0.58 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 667' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -46.06 -42.71 13.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 72.6 mt -84.85 -14.87 46.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.927 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 669' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -77.55 -25.32 50.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.916 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 670' ' ' LEU . . . . . . . . . . . . . 24.8 mt -84.75 -67.94 0.76 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.901 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 671' ' ' GLN . . . . . . . . . . . . . 20.5 pt20 -45.27 -25.91 0.44 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.925 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 672' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -71.13 -41.24 70.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 673' ' ' ILE . . . . . 0.562 HD13 HG21 ' A' ' 703' ' ' ILE . 97.1 mt -68.12 -27.62 37.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.139 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 674' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 -86.02 -54.24 4.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 675' ' ' LYS . . . . . . . . . . . . . 26.8 mtpp -58.32 -70.3 0.15 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 676' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -104.11 170.27 8.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.927 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 10.3 p -139.88 172.13 13.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.176 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 678' ' ' ILE . . . . . 0.473 ' O ' ' N ' ' A' ' 698' ' ' LEU . 5.2 mp -89.31 142.93 12.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.156 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 22.0 m -116.3 101.2 8.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.154 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 680' ' ' LEU . . . . . 0.591 HD13 HD11 ' A' ' 698' ' ' LEU . 4.9 tt -109.62 116.31 31.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 681' ' ' GLU . . . . . 0.452 ' HB2' ' CE1' ' A' ' 683' ' ' HIS . 9.3 mt-10 -110.99 158.8 18.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 682' ' ' VAL . . . . . . . . . . . . . 64.1 t -122.09 98.24 5.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.17 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 683' ' ' HIS . . . . . 0.687 ' ND1' HG23 ' A' ' 692' ' ' THR . 2.9 m-70 -93.35 149.63 21.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.84 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 684' ' ' GLN . . . . . 0.423 ' HA ' HG22 ' A' ' 631' ' ' THR . 15.5 mt-30 -90.03 159.56 16.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -123.67 102.49 7.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.146 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 686' ' ' TYR . . . . . 0.433 ' O ' ' C ' ' A' ' 687' ' ' SER . 1.9 m-85 -101.23 168.33 9.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.973 -179.874 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 687' ' ' SER . . . . . 0.501 ' O ' ' CG2' ' A' ' 688' ' ' THR . 3.9 m -35.29 100.25 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 688' ' ' THR . . . . . 0.501 ' CG2' ' O ' ' A' ' 687' ' ' SER . 8.1 t 44.6 48.78 8.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.135 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 689' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -139.76 159.42 42.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.919 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 690' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -147.44 117.54 7.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.957 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 691' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -149.25 150.99 33.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 692' ' ' THR . . . . . 0.687 HG23 ' ND1' ' A' ' 683' ' ' HIS . 27.6 m -92.14 140.27 29.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.159 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 693' ' ' ILE . . . . . 0.471 HG13 ' N ' ' A' ' 694' ' ' ALA . 6.5 pt -129.53 -32.05 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.066 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 694' ' ' ALA . . . . . 0.471 ' N ' HG13 ' A' ' 693' ' ' ILE . . . -124.81 155.02 40.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.104 179.823 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 695' ' ' ALA . . . . . 0.437 ' CB ' ' HG2' ' A' ' 681' ' ' GLU . . . -161.14 124.95 3.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.067 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 696' ' ' CYS . . . . . 0.526 ' HB3' HD23 ' A' ' 716' ' ' LEU . 11.8 p -143.05 165.57 27.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.836 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 697' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -114.05 118.52 34.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 698' ' ' LEU . . . . . 0.591 HD11 HD13 ' A' ' 680' ' ' LEU . 21.2 mt -80.15 116.91 20.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 699' ' ' LYS . . . . . . . . . . . . . 8.0 ptpt -138.99 132.28 29.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.868 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 700' ' ' PHE . . . . . 0.533 ' HB3' ' CZ ' ' A' ' 733' ' ' PHE . 2.5 m-85 -106.81 124.88 50.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.869 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 701' ' ' HIS . . . . . . . . . . . . . 28.4 m-70 -88.42 -66.53 0.91 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.858 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 702' ' ' GLU . . . . . 0.704 ' CB ' HG21 ' A' ' 710' ' ' ILE . 5.0 mp0 -48.71 -32.66 8.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.85 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 703' ' ' ILE . . . . . 0.562 HG21 HD13 ' A' ' 673' ' ' ILE . 0.1 OUTLIER -47.65 -37.33 5.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.146 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 704' ' ' LEU . . . . . 0.521 HD21 ' CG2' ' A' ' 673' ' ' ILE . 10.7 mt -69.85 -51.46 33.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 179.854 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 705' ' ' GLU . . . . . 0.453 ' HG3' ' N ' ' A' ' 706' ' ' LYS . 4.0 tp10 -73.1 -62.99 1.27 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.895 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 706' ' ' LYS . . . . . 0.466 ' HG3' ' CD1' ' A' ' 710' ' ' ILE . 9.3 ptmt -105.39 161.56 14.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.877 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 707' ' ' SER . . . . . . . . . . . . . 3.2 m -141.94 151.61 42.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 708' ' ' GLY . . . . . . . . . . . . . . . 116.84 -108.51 1.76 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.502 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 709' ' ' ARG . . . . . . . . . . . . . 1.8 ptt180 -104.06 92.03 4.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.849 0.356 . . . . 0.0 110.878 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 710' ' ' ILE . . . . . 0.704 HG21 ' CB ' ' A' ' 702' ' ' GLU . 11.9 mt -124.24 121.4 61.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.117 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 711' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -80.35 127.66 32.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 712' ' ' CYS . . . . . . . . . . . . . 3.5 m -149.45 169.72 20.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 713' ' ' THR . . . . . . . . . . . . . 21.9 p -150.35 166.41 30.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.173 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 714' ' ' ALA . . . . . . . . . . . . . . . -132.03 143.52 50.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.121 179.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 715' ' ' SER . . . . . . . . . . . . . 89.1 p -91.11 148.83 22.1 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.851 -179.762 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 716' ' ' LEU . . . . . 0.526 HD23 ' HB3' ' A' ' 696' ' ' CYS . 48.4 mt -110.52 143.88 40.2 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.902 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 717' ' ' ILE . . . . . 0.448 HD12 ' C ' ' A' ' 716' ' ' LEU . 4.9 mp -134.75 118.32 25.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.123 179.822 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 718' ' ' GLY . . . . . . . . . . . . . . . -57.05 145.95 36.8 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.44 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 719' ' ' THR . . . . . . . . . . . . . 14.1 p -71.57 -73.64 0.18 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.821 0.343 . . . . 0.0 111.11 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 720' ' ' LYS . . . . . . . . . . . . . 8.3 pttt -77.81 -47.49 18.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.903 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 721' ' ' GLY . . . . . . . . . . . . . . . -60.11 -35.81 88.67 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.491 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 722' ' ' ASP . . . . . . . . . . . . . 7.9 t0 65.67 50.4 1.61 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.841 0.353 . . . . 0.0 110.888 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 723' ' ' ILE . . . . . 0.485 HG22 ' N ' ' A' ' 726' ' ' PHE . 91.5 mt -99.63 107.2 44.55 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.624 0.726 . . . . 0.0 111.146 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 724' ' ' PRO . . . . . 0.424 ' HD2' ' HA ' ' A' ' 723' ' ' ILE . 53.5 Cg_endo -69.82 -27.28 26.39 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.663 2.242 . . . . 0.0 112.293 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 725' ' ' ASN . . . . . . . . . . . . . 55.6 m-20 -101.18 25.64 7.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.856 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 726' ' ' PHE . . . . . 0.62 ' O ' HG21 ' A' ' 620' ' ' VAL . 20.8 t80 -51.44 -35.89 41.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.904 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 727' ' ' GLY . . . . . . . . . . . . . . . 155.24 167.87 17.54 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.496 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 728' ' ' THR . . . . . . . . . . . . . 1.6 m -121.19 147.12 46.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.814 0.34 . . . . 0.0 111.171 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 729' ' ' VAL . . . . . . . . . . . . . 13.9 p -108.2 142.3 21.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.147 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -109.13 136.62 48.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 731' ' ' TYR . . . . . . . . . . . . . 5.3 p90 -164.73 169.09 17.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 732' ' ' TRP . . . . . . . . . . . . . 32.9 p-90 -147.24 128.0 14.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.917 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 733' ' ' PHE . . . . . 0.533 ' CZ ' ' HB3' ' A' ' 700' ' ' PHE . 23.3 p90 -109.78 157.84 18.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.893 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 734' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.21 124.78 5.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.868 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 735' ' ' LEU . . . . . . . . . . . . . 34.5 tp -119.55 113.92 21.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.95 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 736' ' ' ARG . . . . . . . . . . . . . 19.2 mtm180 -143.42 163.94 31.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.91 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 737' ' ' VAL . . . . . 0.559 HG23 ' O ' ' A' ' 602' ' ' ARG . 11.9 p -61.52 144.4 13.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.144 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 738' ' ' SER . . . . . . . . . . . . . 24.5 t -134.03 152.56 51.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.829 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 739' ' ' GLY . . . . . . . . . . . . . . . -176.81 166.24 36.89 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.458 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 740' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 174.12 9.96 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.644 2.229 . . . . 0.0 112.385 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 82.9 p -166.74 156.44 11.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.837 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 43.9 p -144.37 149.76 36.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.87 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 743' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.474 -179.996 . . . . . . . . 0 0 . 1 stop_ save_