data_2mng_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 2mng _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 ' 586' ' ' CYS . . . . . . . . . . . . . 74.3 m . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.812 0.339 . . . . 0.0 111.212 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 587' ' ' ARG . . . . . . . . . . . . . 63.8 ttm-85 -56.84 -46.61 81.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.199 179.094 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 588' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -64.88 -32.86 74.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.175 -179.316 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 93.6 mt -67.36 -45.07 77.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.184 179.317 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 590' ' ' VAL . . . . . . . . . . . . . 62.2 t -64.18 -42.27 94.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.173 175.505 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 591' ' ' ALA . . . . . . . . . . . . . . . -75.96 -1.0 23.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.191 -176.328 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 74.0 m -60.4 -29.23 68.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.208 174.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 593' ' ' MET . . . . . . . . . . . . . 27.5 ttt -77.75 130.63 72.88 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.183 175.408 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_exo -52.44 -42.75 59.22 Favored 'Trans proline' 0 N--CA 1.458 -0.573 0 C-N-CA 121.689 1.592 . . . . 0.0 111.197 -178.139 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 595' ' ' LEU . . . . . . . . . . . . . 65.3 tp -60.79 -47.45 86.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.213 179.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 596' ' ' PHE . . . . . . . . . . . . . 11.5 m-30 -74.0 -21.57 59.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.218 -176.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 597' ' ' ALA . . . . . . . . . . . . . . . -71.88 -39.94 69.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.153 171.521 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 598' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -68.28 -32.35 72.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.23 175.009 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 599' ' ' ALA . . . . . . . . . . . . . . . -61.45 146.63 47.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.157 174.448 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 600' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -72.09 153.54 92.59 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.17 -176.295 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 601' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_exo -53.06 -29.4 44.8 Favored 'Trans proline' 0 N--CA 1.458 -0.595 0 C-N-CA 121.708 1.606 . . . . 0.0 111.223 179.532 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 602' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -64.67 -35.61 81.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.196 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 603' ' ' PHE . . . . . . . . . . . . . 80.4 m-85 -80.78 -37.65 29.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.199 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 604' ' ' VAL . . . . . . . . . . . . . 75.1 t -62.22 -44.31 98.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.187 177.064 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 605' ' ' THR . . . . . . . . . . . . . 97.0 m -54.79 -47.23 74.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.197 174.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 606' ' ' SER . . . . . . . . . . . . . 74.1 m -59.5 -42.2 91.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.204 178.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 65.9 mtt -57.99 -42.37 84.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.211 175.16 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 608' ' ' LEU . . . . . . . . . . . . . 91.7 mt -62.91 -41.64 99.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.253 -179.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 609' ' ' THR . . . . . . . . . . . . . 66.9 p -73.82 -22.24 59.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.197 -178.18 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 610' ' ' LYS . . . . . . . . . . . . . 65.4 mttm -99.65 3.35 45.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.261 174.048 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 611' ' ' LEU . . . . . . . . . . . . . 25.8 tp -70.09 127.19 31.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.221 -174.151 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 612' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -100.81 124.14 46.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.205 -179.501 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 613' ' ' PHE . . . . . . . . . . . . . 18.4 t80 -90.33 120.39 31.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.208 179.46 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -121.3 131.55 54.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.249 -176.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 615' ' ' VAL . . . . . . . . . . . . . 97.0 t -102.44 141.39 18.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.193 177.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 616' ' ' PHE . . . . . 0.48 ' HB2' ' SG ' ' A' ' 679' ' ' CYS . 98.0 m-85 -136.89 146.11 45.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.238 -177.55 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 617' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -111.08 164.72 14.24 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.187 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 618' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_exo -51.72 127.5 23.06 Favored 'Trans proline' 0 N--CA 1.458 -0.583 0 C-N-CA 121.694 1.596 . . . . 0.0 111.212 179.337 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 619' ' ' GLY . . . . . . . . . . . . . . . 98.4 -17.63 58.22 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 175.6 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 620' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -70.34 138.39 51.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.779 0.323 . . . . 0.0 111.207 -177.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 621' ' ' TYR . . . . . . . . . . . . . 60.8 m-85 -91.79 139.27 30.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.188 173.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 622' ' ' ILE . . . . . . . . . . . . . 5.2 mp -103.08 -45.67 10.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.181 178.686 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 623' ' ' ILE . . . . . . . . . . . . . 93.7 mt -135.93 137.22 49.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.176 172.459 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 96.7 mtt-85 -110.05 149.05 30.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.202 -178.102 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 625' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -70.43 133.29 46.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.156 178.207 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 626' ' ' GLY . . . . . . . . . . . . . . . 96.82 6.03 58.33 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.169 -0.773 . . . . 0.0 111.169 178.218 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 627' ' ' THR . . . . . . . . . . . . . 44.7 p -107.73 152.48 24.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.794 0.33 . . . . 0.0 111.197 176.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 628' ' ' ILE . . . . . . . . . . . . . 46.8 mm -63.29 118.23 5.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.237 -177.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 629' ' ' GLY . . . . . . . . . . . . . . . -93.21 137.87 13.83 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 179.709 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 630' ' ' LYS . . . . . . . . . . . . . 64.1 pttt -171.47 26.77 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.82 0.343 . . . . 0.0 111.21 -179.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 631' ' ' LYS . . . . . . . . . . . . . 57.5 pttt -148.99 160.16 43.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.215 -176.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 632' ' ' MET . . . . . . . . . . . . . 38.7 ttm -136.74 144.75 43.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.218 179.186 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 633' ' ' TYR . . . . . . . . . . . . . 81.4 m-85 -118.97 129.45 55.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.194 -176.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 634' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -104.0 134.56 47.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.254 172.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 635' ' ' ILE . . . . . . . . . . . . . 75.4 mt -89.94 110.01 21.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.233 -169.268 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 67.8 tp60 -69.5 -49.9 50.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.194 172.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 637' ' ' HIS . . . . . . . . . . . . . 30.4 p80 -162.36 161.74 27.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.225 176.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 638' ' ' GLY . . . . . . . . . . . . . . . 100.67 175.07 29.6 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 111.237 -0.745 . . . . 0.0 111.237 178.615 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 639' ' ' VAL . . . . . . . . . . . . . 92.1 t -119.34 129.25 75.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.825 0.345 . . . . 0.0 111.2 -176.298 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 640' ' ' VAL . . . . . . . . . . . . . 34.3 m -122.94 159.86 26.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.228 176.286 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 641' ' ' SER . . . . . . . . . . . . . 41.3 t -122.6 123.93 42.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.203 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 642' ' ' VAL . . . . . . . . . . . . . 70.4 t -107.34 126.77 63.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.184 179.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 643' ' ' LEU . . . . . . . . . . . . . 67.2 tp -120.81 119.63 33.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.198 179.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 644' ' ' THR . . . . . 0.465 ' HB ' ' HB2' ' A' ' 647' ' ' ASN . 96.4 m -107.32 139.14 42.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.199 -177.774 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -54.55 118.95 4.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.21 -175.406 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 646' ' ' GLY . . . . . . . . . . . . . . . 74.78 15.62 80.71 Favored Glycine 0 CA--C 1.523 0.537 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 172.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 647' ' ' ASN . . . . . 0.465 ' HB2' ' HB ' ' A' ' 644' ' ' THR . 61.0 m-80 -131.63 158.13 41.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.807 0.337 . . . . 0.0 111.225 -177.515 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 648' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -64.76 137.89 58.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.228 -178.226 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 649' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -68.95 138.9 54.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.19 178.201 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 650' ' ' THR . . . . . . . . . . . . . 94.2 m -130.85 137.29 49.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.204 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 651' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -108.18 147.73 30.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.185 -177.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 81.1 mt -131.38 155.66 46.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.224 -176.522 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -139.33 -167.89 2.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.235 -174.259 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 654' ' ' ASP . . . . . . . . . . . . . 64.5 t0 -51.9 124.14 11.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.193 -178.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 655' ' ' GLY . . . . . . . . . . . . . . . 102.24 -9.96 56.42 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.201 -0.759 . . . . 0.0 111.201 175.171 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 656' ' ' SER . . . . . . . . . . . . . 69.2 m -98.09 179.96 4.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.778 0.323 . . . . 0.0 111.223 176.373 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 657' ' ' TYR . . . . . . . . . . . . . 47.2 p90 -157.56 164.14 37.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.188 178.013 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 658' ' ' PHE . . . . . 0.457 ' CE1' HG11 ' A' ' 673' ' ' VAL . 52.8 p90 -146.89 161.08 41.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.202 179.581 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 659' ' ' GLY . . . . . 0.406 ' O ' ' HB3' ' A' ' 662' ' ' CYS . . . 120.61 7.75 8.71 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 -176.486 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 660' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -61.0 -46.5 90.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.828 0.347 . . . . 0.0 111.21 175.204 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 661' ' ' ILE . . . . . 0.424 HG22 ' HG3' ' A' ' 669' ' ' ARG . 97.0 mt -68.59 -35.77 71.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.241 174.22 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 662' ' ' CYS . . . . . 0.441 ' HA ' ' HD2' ' A' ' 669' ' ' ARG . 36.5 t -57.73 -46.22 84.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.217 178.557 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 663' ' ' LEU . . . . . . . . . . . . . 94.3 mt -74.67 -39.59 61.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.197 178.255 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 67.3 tp -54.58 -48.09 72.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.197 179.417 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 665' ' ' THR . . . . . . . . . . . . . 93.2 m -91.17 107.63 19.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.197 178.422 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 666' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -71.38 -22.63 61.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.211 -175.624 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . -91.22 -136.98 7.14 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 176.519 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 90.0 mtm180 -79.64 127.31 32.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.815 0.341 . . . . 0.0 111.196 -178.22 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 669' ' ' ARG . . . . . 0.441 ' HD2' ' HA ' ' A' ' 662' ' ' CYS . 76.6 ttt180 -71.96 142.56 49.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.186 -178.02 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 670' ' ' THR . . . . . . . . . . . . . 40.5 p -98.82 39.77 1.24 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.19 178.14 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 671' ' ' ALA . . . . . . . . . . . . . . . -158.54 161.44 37.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.169 -179.012 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 672' ' ' SER . . . . . . . . . . . . . 92.1 p -137.65 165.5 26.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.166 178.131 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 673' ' ' VAL . . . . . 0.457 HG11 ' CE1' ' A' ' 658' ' ' PHE . 4.4 p -151.47 138.79 13.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.211 -179.561 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 674' ' ' ARG . . . . . . . . . . . . . 38.1 ptt180 -141.9 158.54 43.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.19 179.673 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 675' ' ' ALA . . . . . . . . . . . . . . . -84.82 130.8 34.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.196 -175.349 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 676' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -90.61 -33.12 15.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.221 174.319 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 44.2 p -133.14 165.3 25.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.215 172.133 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 678' ' ' TYR . . . . . . . . . . . . . 87.7 t80 -53.06 123.77 12.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.202 177.355 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 679' ' ' CYS . . . . . 0.48 ' SG ' ' HB2' ' A' ' 616' ' ' PHE . 31.8 p -143.93 164.37 30.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.17 -170.592 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 680' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -140.15 133.22 29.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.203 177.328 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 681' ' ' LEU . . . . . . . . . . . . . 59.9 mt -123.58 155.56 37.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.229 -167.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 682' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -106.65 125.39 50.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.214 171.159 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 683' ' ' SER . . . . . . . . . . . . . 42.1 t -107.3 121.59 44.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.215 -169.594 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 684' ' ' LEU . . . . . . . . . . . . . 95.6 mt -115.55 149.79 37.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.222 165.459 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 78.1 p -127.25 160.29 31.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.21 -177.678 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 686' ' ' VAL . . . . . . . . . . . . . 57.6 t -66.33 -36.53 77.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.186 173.578 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 687' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -55.42 -38.88 69.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.211 174.393 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 688' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 -67.95 -38.12 82.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.186 173.528 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 689' ' ' PHE . . . . . . . . . . . . . 20.0 m-30 -69.19 -23.07 63.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.21 -178.382 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 690' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -69.29 -15.08 63.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.183 173.341 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 691' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -103.64 -29.69 10.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.184 173.578 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 692' ' ' VAL . . . . . . . . . . . . . 93.4 t -86.48 -69.73 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.191 179.638 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 693' ' ' LEU . . . . . . . . . . . . . 95.3 mt -77.29 -21.09 54.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.196 -168.659 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 694' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -96.08 20.39 10.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.201 172.612 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 695' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -72.65 -40.03 66.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.197 175.262 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 696' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -122.34 139.49 30.83 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.211 -179.572 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 697' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_exo -53.48 -33.6 68.28 Favored 'Trans proline' 0 N--CA 1.458 -0.581 0 C-N-CA 121.638 1.559 . . . . 0.0 111.197 178.487 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 698' ' ' MET . . . . . . . . . . . . . 99.8 mmm -59.96 -31.46 69.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.197 -177.621 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 699' ' ' MET . . . . . . . . . . . . . 63.2 tpp -99.97 -20.03 16.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.193 -179.558 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 700' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.187 171.99 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 586' ' ' CYS . . . . . . . . . . . . . 38.3 t . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.779 0.323 . . . . 0.0 111.209 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 587' ' ' ARG . . . . . . . . . . . . . 62.8 ttm-85 -51.62 -46.93 63.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.173 176.247 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 588' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -62.13 -41.76 98.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.204 177.554 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 95.9 mt -61.24 -36.76 80.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.196 -178.701 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 590' ' ' VAL . . . . . . . . . . . . . 79.3 t -67.97 -48.65 73.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.218 174.589 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 591' ' ' ALA . . . . . . . . . . . . . . . -60.06 -28.17 67.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.168 178.477 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 72.4 m -68.99 -25.56 64.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.194 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 593' ' ' MET . . . . . . . . . . . . . 55.1 ttm -67.68 120.08 70.77 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.219 178.541 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_exo -48.15 -44.01 29.61 Favored 'Trans proline' 0 N--CA 1.458 -0.611 0 C-N-CA 121.715 1.61 . . . . 0.0 111.205 177.443 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 595' ' ' LEU . . . . . . . . . . . . . 52.6 tp -52.97 -39.79 63.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.208 -178.205 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 596' ' ' PHE . . . . . . . . . . . . . 44.6 m-85 -117.92 26.89 9.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.226 -176.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 597' ' ' ALA . . . . . . . . . . . . . . . -61.07 -34.26 74.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.225 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 598' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -110.24 20.13 18.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.183 -178.487 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 599' ' ' ALA . . . . . . . . . . . . . . . -68.38 150.87 47.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.183 -177.386 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 600' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -64.54 135.0 96.18 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.241 178.204 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 601' ' ' PRO . . . . . . . . . . . . . 78.7 Cg_exo -50.54 -37.5 52.5 Favored 'Trans proline' 0 N--CA 1.458 -0.574 0 C-N-CA 121.706 1.604 . . . . 0.0 111.193 -179.204 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 602' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -73.19 -40.59 64.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.173 -179.034 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 603' ' ' PHE . . . . . . . . . . . . . 84.0 t80 -55.85 -45.9 78.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.206 173.658 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 604' ' ' VAL . . . . . . . . . . . . . 61.6 t -59.22 -49.98 81.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.202 177.536 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 605' ' ' THR . . . . . . . . . . . . . 99.5 m -49.93 -43.31 49.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.199 177.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 606' ' ' SER . . . . . . . . . . . . . 74.1 m -65.97 -47.35 74.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.2 178.144 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 91.2 mmm -57.7 -34.21 69.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.224 -178.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 608' ' ' LEU . . . . . . . . . . . . . 83.3 mt -60.75 -27.75 68.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.225 -177.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 609' ' ' THR . . . . . . . . . . . . . 69.1 p -88.93 -4.99 58.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.165 -179.539 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 610' ' ' LYS . . . . . 0.421 ' HB3' ' HB3' ' A' ' 688' ' ' ASN . 75.3 mmtt -106.73 -25.32 11.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.166 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 611' ' ' LEU . . . . . . . . . . . . . 89.8 mt -63.43 146.54 53.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.203 176.39 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 612' ' ' ARG . . . . . . . . . . . . . 91.3 mmt-85 -132.78 127.1 33.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.176 175.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 613' ' ' PHE . . . . . . . . . . . . . 80.2 t80 -84.0 136.57 34.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.189 -171.516 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -147.79 130.51 16.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.151 -178.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 615' ' ' VAL . . . . . 0.579 HG23 ' HG2' ' A' ' 680' ' ' ARG . 90.1 t -97.1 143.75 11.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.192 179.356 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 616' ' ' PHE . . . . . 0.598 ' HB2' ' SG ' ' A' ' 679' ' ' CYS . 87.2 m-85 -126.26 146.25 50.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.213 -177.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 617' ' ' GLN . . . . . . . . . . . . . 96.8 mm-40 -101.38 164.09 16.64 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.189 -175.392 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 618' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -52.46 121.75 9.59 Favored 'Trans proline' 0 N--CA 1.458 -0.569 0 C-N-CA 121.753 1.635 . . . . 0.0 111.172 175.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 619' ' ' GLY . . . . . . . . . . . . . . . 92.5 -11.34 72.33 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 176.001 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 620' ' ' ASP . . . . . . . . . . . . . 54.8 t0 -70.32 130.16 41.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.817 0.342 . . . . 0.0 111.147 -178.288 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 621' ' ' TYR . . . . . 0.466 ' CZ ' ' HD3' ' A' ' 674' ' ' ARG . 73.2 m-85 -82.18 142.5 32.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.201 179.31 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 622' ' ' ILE . . . . . . . . . . . . . 4.0 mp -109.47 -40.27 4.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.217 178.252 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 623' ' ' ILE . . . . . . . . . . . . . 83.4 mt -131.33 133.21 62.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.174 177.117 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -101.78 135.28 43.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.232 179.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 625' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -67.04 129.88 41.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.189 -179.638 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 626' ' ' GLY . . . . . . . . . . . . . . . 74.96 16.04 80.74 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.194 -0.763 . . . . 0.0 111.194 175.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 627' ' ' THR . . . . . . . . . . . . . 98.1 m -109.04 128.8 55.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.856 0.36 . . . . 0.0 111.171 178.52 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 628' ' ' ILE . . . . . . . . . . . . . 18.9 tt -64.95 147.62 12.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.202 -176.091 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 629' ' ' GLY . . . . . . . . . . . . . . . 141.87 108.63 0.71 Allowed Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.245 -0.742 . . . . 0.0 111.245 179.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 630' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -93.96 79.96 4.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.823 0.344 . . . . 0.0 111.223 -178.413 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 631' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -129.2 138.51 51.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.22 175.578 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 632' ' ' MET . . . . . . . . . . . . . 26.9 ptm -110.06 165.97 11.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.206 172.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 633' ' ' TYR . . . . . . . . . . . . . 83.9 m-85 -139.49 136.91 35.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.164 -175.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 634' ' ' PHE . . . . . . . . . . . . . 91.4 t80 -101.99 134.82 44.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.209 170.178 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 635' ' ' ILE . . . . . . . . . . . . . 68.1 mt -88.31 98.66 7.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.233 -177.637 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 23.5 tm0? -70.46 -35.21 73.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.181 179.128 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 637' ' ' HIS . . . . . . . . . . . . . 77.8 t60 -169.84 140.14 2.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.14 175.529 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 638' ' ' GLY . . . . . . . . . . . . . . . 123.72 -153.72 17.37 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.206 -0.758 . . . . 0.0 111.206 178.538 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 639' ' ' VAL . . . . . . . . . . . . . 7.1 p -158.07 130.86 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.856 0.36 . . . . 0.0 111.204 -179.135 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 640' ' ' VAL . . . . . . . . . . . . . 28.6 m -124.91 160.04 30.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.154 178.629 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 641' ' ' SER . . . . . . . . . . . . . 53.4 m -110.06 127.39 54.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.246 174.528 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 642' ' ' VAL . . . . . . . . . . . . . 61.8 t -109.61 111.25 35.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.2 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 643' ' ' LEU . . . . . . . . . . . . . 65.6 tp -103.51 120.1 40.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.183 -178.331 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 644' ' ' THR . . . . . 0.403 ' HB ' ' HB2' ' A' ' 647' ' ' ASN . 93.3 m -108.14 137.36 46.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.198 -177.618 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 89.3 tttt -56.15 120.85 8.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.21 -176.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 646' ' ' GLY . . . . . . . . . . . . . . . 74.43 15.09 80.48 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 172.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 647' ' ' ASN . . . . . 0.403 ' HB2' ' HB ' ' A' ' 644' ' ' THR . 65.0 m-80 -134.77 157.75 45.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.835 0.35 . . . . 0.0 111.179 -178.145 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 648' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -65.12 137.46 57.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.198 179.241 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 649' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -65.05 137.01 57.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.229 179.046 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 650' ' ' THR . . . . . . . . . . . . . 96.8 m -120.05 133.56 55.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.2 179.598 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 651' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -100.75 137.07 39.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.231 -177.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 78.6 mt -124.68 147.48 48.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.213 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -133.46 177.77 7.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.174 -172.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 654' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -38.42 120.04 0.87 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.167 176.292 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 655' ' ' GLY . . . . . . . . . . . . . . . 109.64 -13.41 32.65 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.206 -0.757 . . . . 0.0 111.206 175.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 656' ' ' SER . . . . . . . . . . . . . 69.4 m -99.83 177.83 5.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.776 0.322 . . . . 0.0 111.207 -179.274 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 657' ' ' TYR . . . . . . . . . . . . . 25.9 p90 -152.78 167.96 27.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.23 179.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 658' ' ' PHE . . . . . . . . . . . . . 46.5 p90 -156.74 168.36 27.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.24 178.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 659' ' ' GLY . . . . . 0.469 ' O ' ' HB3' ' A' ' 662' ' ' CYS . . . 98.6 -2.4 58.82 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 -178.243 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 660' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -55.23 -50.08 70.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.833 0.349 . . . . 0.0 111.202 176.226 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 661' ' ' ILE . . . . . 0.409 ' HB ' ' CZ ' ' A' ' 669' ' ' ARG . 91.6 mt -63.25 -38.2 81.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.276 178.035 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 662' ' ' CYS . . . . . 0.469 ' HB3' ' O ' ' A' ' 659' ' ' GLY . 49.8 t -56.61 -44.13 80.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.215 178.135 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 663' ' ' LEU . . . . . . . . . . . . . 6.0 mp -68.38 -39.39 81.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.183 178.334 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 87.6 mt -67.98 -36.41 79.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.182 -178.176 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 665' ' ' THR . . . . . . . . . . . . . 55.5 p -100.66 -165.21 1.19 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.216 -176.055 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 666' ' ' ARG . . . . . . . . . . . . . 37.3 ptt180 -63.53 163.84 10.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.184 172.194 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . -65.09 -33.84 88.17 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 -178.64 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 75.3 mtp180 -83.09 70.0 9.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.784 0.326 . . . . 0.0 111.203 -178.253 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 669' ' ' ARG . . . . . 0.409 ' CZ ' ' HB ' ' A' ' 661' ' ' ILE . 79.5 ttt180 -67.01 140.21 57.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.218 179.332 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 670' ' ' THR . . . . . . . . . . . . . 37.4 p -83.35 58.36 4.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.192 178.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 671' ' ' ALA . . . . . . . . . . . . . . . -162.28 154.78 19.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.196 -179.701 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 672' ' ' SER . . . . . . . . . . . . . 94.9 p -131.31 155.79 46.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.184 179.509 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 673' ' ' VAL . . . . . . . . . . . . . 52.7 t -134.86 131.12 53.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.226 -178.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 674' ' ' ARG . . . . . 0.466 ' HD3' ' CZ ' ' A' ' 621' ' ' TYR . 56.4 ttp180 -133.21 133.68 43.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.208 -179.015 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 675' ' ' ALA . . . . . . . . . . . . . . . -73.39 132.79 43.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.176 179.153 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 676' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -87.07 -17.37 33.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.156 -178.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 13.7 t -160.8 -171.93 3.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.175 176.117 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 678' ' ' TYR . . . . . . . . . . . . . 91.3 t80 -57.67 118.97 5.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.233 173.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 679' ' ' CYS . . . . . 0.598 ' SG ' ' HB2' ' A' ' 616' ' ' PHE . 31.4 p -144.61 162.0 37.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.192 -175.486 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 680' ' ' ARG . . . . . 0.579 ' HG2' HG23 ' A' ' 615' ' ' VAL . 99.2 mtt180 -130.77 116.86 18.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.197 -175.477 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 681' ' ' LEU . . . . . . . . . . . . . 58.7 mt -114.27 154.32 28.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.18 -173.693 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 682' ' ' TYR . . . . . . . . . . . . . 55.8 m-85 -107.18 120.09 41.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.213 167.059 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 683' ' ' SER . . . . . . . . . . . . . 37.8 t -86.7 138.06 31.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.201 -176.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 684' ' ' LEU . . . . . 0.412 HD13 ' C ' ' A' ' 684' ' ' LEU . 3.0 tm? -143.86 110.04 5.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.192 177.881 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 76.5 p -81.48 154.38 26.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.202 -178.025 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 686' ' ' VAL . . . . . . . . . . . . . 6.4 p -60.22 -30.67 46.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.205 175.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 687' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -66.35 -43.38 86.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.195 175.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 688' ' ' ASN . . . . . 0.421 ' HB3' ' HB3' ' A' ' 610' ' ' LYS . 91.8 m-20 -62.53 -39.97 95.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.191 176.122 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 689' ' ' PHE . . . . . . . . . . . . . 89.3 t80 -60.37 -47.2 87.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.184 175.233 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 690' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -66.97 -34.34 77.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.199 -178.345 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 691' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -54.69 -46.61 74.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.221 178.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 692' ' ' VAL . . . . . . . . . . . . . 79.3 t -59.92 -40.09 81.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.22 177.528 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 693' ' ' LEU . . . . . . . . . . . . . 89.3 mt -64.79 -38.32 90.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.26 -179.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 694' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -69.89 -40.12 75.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.175 177.237 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 695' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -64.81 -42.07 95.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.172 -177.313 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 696' ' ' TYR . . . . . . . . . . . . . 88.9 m-85 -119.9 98.59 49.39 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.186 -177.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 697' ' ' PRO . . . . . . . . . . . . . 75.7 Cg_exo -54.54 -32.19 73.02 Favored 'Trans proline' 0 N--CA 1.458 -0.589 0 C-N-CA 121.684 1.589 . . . . 0.0 111.228 178.738 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 698' ' ' MET . . . . . . . . . . . . . 99.9 mmm -62.8 -32.37 73.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.174 -178.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 699' ' ' MET . . . . . . . . . . . . . 36.9 mmt -96.32 -19.58 19.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.206 179.335 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 700' ' ' ARG . . . . . . . . . . . . . 37.1 ttm180 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.204 179.476 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 586' ' ' CYS . . . . . . . . . . . . . 79.0 m . . . . . 0 CA--C 1.523 -0.076 0 CA-C-O 120.834 0.349 . . . . 0.0 111.233 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 587' ' ' ARG . . . . . . . . . . . . . 71.5 ttp85 -60.25 -40.49 90.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.207 176.138 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 588' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -65.45 -35.71 81.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.206 178.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 75.9 mt -64.59 -51.76 61.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.21 176.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 590' ' ' VAL . . . . . . . . . . . . . 66.0 t -58.62 -42.58 85.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.18 178.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 591' ' ' ALA . . . . . . . . . . . . . . . -69.79 -15.01 63.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.234 -175.071 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 75.6 m -61.06 -38.1 85.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.218 -179.296 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 593' ' ' MET . . . . . . . . . . . . . 10.9 tpt -68.2 121.27 79.6 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.199 175.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_exo -51.01 -41.47 56.46 Favored 'Trans proline' 0 N--CA 1.458 -0.563 0 C-N-CA 121.698 1.598 . . . . 0.0 111.176 -178.137 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 595' ' ' LEU . . . . . . . . . . . . . 5.9 mp -64.81 -28.3 69.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.183 -177.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 596' ' ' PHE . . . . . . . . . . . . . 14.8 m-30 -88.99 -25.91 21.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.195 179.642 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 597' ' ' ALA . . . . . . . . . . . . . . . -68.21 -36.08 78.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.147 173.066 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 598' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -71.41 -24.18 62.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.227 175.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 599' ' ' ALA . . . . . . . . . . . . . . . -70.05 155.13 41.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.217 177.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 600' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -57.67 147.52 61.08 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.176 -179.174 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 601' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_exo -51.99 -36.21 63.92 Favored 'Trans proline' 0 N--CA 1.458 -0.611 0 C-N-CA 121.709 1.606 . . . . 0.0 111.226 175.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 602' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -70.22 -38.32 75.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.141 178.301 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 603' ' ' PHE . . . . . . . . . . . . . 12.8 m-30 -60.74 -40.73 93.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.19 174.467 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 604' ' ' VAL . . . . . 0.403 ' HA ' ' HE1' ' A' ' 607' ' ' MET . 67.5 t -60.42 -49.61 83.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.172 177.02 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 605' ' ' THR . . . . . . . . . . . . . 96.8 m -55.02 -46.62 75.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.196 175.576 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 606' ' ' SER . . . . . . . . . . . . . 72.9 m -60.04 -46.11 90.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.201 -179.079 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 607' ' ' MET . . . . . 0.403 ' HE1' ' HA ' ' A' ' 604' ' ' VAL . 68.9 mtm -60.02 -40.18 88.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.206 177.476 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 608' ' ' LEU . . . . . 0.796 ' O ' HD21 ' A' ' 608' ' ' LEU . 3.3 tt -53.66 -40.26 65.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.247 178.509 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 609' ' ' THR . . . . . . . . . . . . . 69.2 p -84.72 -8.63 58.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.185 -174.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 610' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -99.49 5.01 46.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.164 176.158 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 611' ' ' LEU . . . . . . . . . . . . . 92.8 mt -66.29 148.16 52.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.177 176.626 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 612' ' ' ARG . . . . . . . . . . . . . 74.3 ttt180 -113.03 123.7 50.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.168 171.131 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 613' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -80.08 106.31 12.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.163 -174.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -115.12 115.63 27.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.184 -175.568 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 615' ' ' VAL . . . . . . . . . . . . . 94.2 t -96.19 140.82 16.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.236 178.725 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 616' ' ' PHE . . . . . . . . . . . . . 99.4 m-85 -130.61 143.79 50.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.122 -175.345 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 617' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -100.81 161.83 22.59 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.23 178.101 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 618' ' ' PRO . . . . . . . . . . . . . 79.4 Cg_exo -52.32 121.57 9.2 Favored 'Trans proline' 0 N--CA 1.458 -0.613 0 C-N-CA 121.72 1.613 . . . . 0.0 111.21 175.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 619' ' ' GLY . . . . . . . . . . . . . . . 96.81 -16.54 60.81 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.176 -0.77 . . . . 0.0 111.176 178.014 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 620' ' ' ASP . . . . . . . . . . . . . 59.3 t0 -70.16 129.32 39.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.843 0.354 . . . . 0.0 111.214 -179.399 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 621' ' ' TYR . . . . . 0.404 ' CZ ' ' HD3' ' A' ' 674' ' ' ARG . 57.6 m-85 -82.8 138.08 34.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.204 -177.199 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 622' ' ' ILE . . . . . . . . . . . . . 75.3 mt -101.72 -44.89 10.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.233 177.523 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 623' ' ' ILE . . . . . . . . . . . . . 70.4 mt -129.96 139.14 52.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.18 177.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 34.6 mmt180 -105.75 140.71 38.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.222 176.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 625' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -71.64 134.77 46.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.233 178.023 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 626' ' ' GLY . . . . . . . . . . . . . . . 88.69 12.97 63.61 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.234 -0.746 . . . . 0.0 111.234 176.059 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 627' ' ' THR . . . . . . . . . . . . . 47.2 p -117.38 165.27 13.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.83 0.348 . . . . 0.0 111.17 179.099 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 628' ' ' ILE . . . . . . . . . . . . . 97.1 mt -66.61 129.49 31.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.165 -178.616 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 629' ' ' GLY . . . . . . . . . . . . . . . -127.55 107.97 0.92 Allowed Glycine 0 CA--C 1.523 0.559 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 179.647 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 630' ' ' LYS . . . . . . . . . . . . . 23.1 pttp -141.33 33.1 1.69 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.8 0.333 . . . . 0.0 111.237 -178.721 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 631' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -129.99 137.96 50.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.192 175.661 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 632' ' ' MET . . . . . . . . . . . . . 90.1 mmm -78.45 145.19 35.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.207 167.311 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 633' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -128.25 125.74 39.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.189 175.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 634' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -117.74 134.14 55.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.184 178.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 635' ' ' ILE . . . . . . . . . . . . . 66.1 mt -98.94 113.54 34.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.149 -172.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 -89.94 -40.06 12.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.209 177.06 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 637' ' ' HIS . . . . . . . . . . . . . 99.5 m-70 -141.53 151.15 43.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.224 174.385 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 638' ' ' GLY . . . . . 0.409 ' HA3' ' HA ' ' A' ' 679' ' ' CYS . . . 99.08 175.55 31.81 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 168.257 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 639' ' ' VAL . . . . . . . . . . . . . 89.7 t -123.21 136.56 59.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.774 0.321 . . . . 0.0 111.197 -178.052 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 640' ' ' VAL . . . . . . . . . . . . . 25.1 m -127.73 159.94 37.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.196 177.182 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 641' ' ' SER . . . . . . . . . . . . . 48.4 m -113.75 127.63 56.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.216 173.614 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 642' ' ' VAL . . . . . . . . . . . . . 86.3 t -109.88 111.59 36.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.21 179.488 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 643' ' ' LEU . . . . . . . . . . . . . 64.9 tp -107.81 120.06 41.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.207 -177.197 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 644' ' ' THR . . . . . 0.435 ' HB ' ' HB2' ' A' ' 647' ' ' ASN . 93.9 m -109.7 138.15 46.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.15 -178.525 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -54.11 119.79 5.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.2 -175.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 646' ' ' GLY . . . . . . . . . . . . . . . 74.51 15.19 80.54 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.196 -0.761 . . . . 0.0 111.196 172.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 647' ' ' ASN . . . . . 0.435 ' HB2' ' HB ' ' A' ' 644' ' ' THR . 65.1 m-80 -133.01 157.27 45.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.838 0.351 . . . . 0.0 111.203 -177.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 648' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -65.07 136.86 57.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.209 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 649' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -65.23 137.4 57.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.18 178.434 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 650' ' ' THR . . . . . . . . . . . . . 98.3 m -109.76 130.45 55.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.18 -179.392 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 651' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -95.57 124.38 39.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.164 179.515 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 88.4 mt -122.6 148.88 44.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.219 -177.532 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -142.88 -169.55 3.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.204 -174.29 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 654' ' ' ASP . . . . . . . . . . . . . 64.2 t0 -44.83 120.93 2.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.238 176.046 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 655' ' ' GLY . . . . . . . . . . . . . . . 99.57 -4.95 58.32 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 176.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 656' ' ' SER . . . . . . . . . . . . . 48.1 m -96.03 174.37 6.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.794 0.33 . . . . 0.0 111.201 179.316 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 657' ' ' TYR . . . . . . . . . . . . . 34.3 p90 -158.9 168.55 26.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.196 178.192 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 658' ' ' PHE . . . . . . . . . . . . . 41.7 p90 -159.6 163.19 35.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.142 177.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 659' ' ' GLY . . . . . 0.575 ' O ' ' HB2' ' A' ' 662' ' ' CYS . . . 111.77 17.56 8.45 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.147 -0.781 . . . . 0.0 111.147 -176.798 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 660' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -55.94 -35.96 67.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.809 0.338 . . . . 0.0 111.235 -178.053 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 661' ' ' ILE . . . . . 0.419 HD13 HH21 ' A' ' 669' ' ' ARG . 94.5 mt -69.28 -28.42 38.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.228 179.042 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 662' ' ' CYS . . . . . 0.575 ' HB2' ' O ' ' A' ' 659' ' ' GLY . 91.5 m -64.61 -23.68 67.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.194 -173.725 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 663' ' ' LEU . . . . . . . . . . . . . 96.4 mt -81.68 -18.98 42.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.249 178.187 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 85.2 mt -107.5 -19.03 13.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.238 -174.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 665' ' ' THR . . . . . . . . . . . . . 89.8 m -129.44 129.98 45.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.187 -178.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 666' ' ' ARG . . . . . . . . . . . . . 69.1 ttt180 -109.93 50.05 0.81 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.188 -178.609 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . -152.21 -153.26 6.2 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 -177.433 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 96.8 mtt-85 -79.41 144.56 34.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.746 0.308 . . . . 0.0 111.211 -177.539 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 669' ' ' ARG . . . . . 0.419 HH21 HD13 ' A' ' 661' ' ' ILE . 31.9 mtp-105 -120.01 155.53 32.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.168 -178.722 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 670' ' ' THR . . . . . . . . . . . . . 45.1 p -104.9 55.13 0.71 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.22 -177.25 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 671' ' ' ALA . . . . . . . . . . . . . . . -154.97 154.37 32.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.18 178.413 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 672' ' ' SER . . . . . . . . . . . . . 96.2 p -132.81 155.11 49.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.205 179.207 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 673' ' ' VAL . . . . . . . . . . . . . 61.3 t -135.72 132.37 51.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.203 -179.42 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 674' ' ' ARG . . . . . 0.404 ' HD3' ' CZ ' ' A' ' 621' ' ' TYR . 57.1 ttp180 -132.29 135.0 45.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.204 -178.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 675' ' ' ALA . . . . . 0.453 ' HB2' ' HG ' ' A' ' 679' ' ' CYS . . . -76.39 140.29 41.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.228 -179.204 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 676' ' ' ASP . . . . . . . . . . . . . 64.6 m-20 -102.44 -32.92 9.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.159 -178.606 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 677' ' ' THR . . . . . 0.592 ' O ' ' SG ' ' A' ' 679' ' ' CYS . 33.6 p -125.76 -179.18 4.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.243 179.772 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 678' ' ' TYR . . . . . . . . . . . . . 74.5 t80 -60.16 100.08 0.09 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.236 167.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 679' ' ' CYS . . . . . 0.592 ' SG ' ' O ' ' A' ' 677' ' ' THR . 72.0 m -110.21 145.05 37.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.204 -168.037 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 680' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -122.87 107.25 11.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.166 175.605 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 681' ' ' LEU . . . . . . . . . . . . . 6.1 mp -117.88 159.98 22.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.164 -172.537 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 682' ' ' TYR . . . . . . . . . . . . . 87.5 m-85 -125.03 124.41 41.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.243 173.491 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 683' ' ' SER . . . . . . . . . . . . . 96.7 p -98.04 151.72 20.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.218 -178.105 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 684' ' ' LEU . . . . . . . . . . . . . 50.5 tp -148.87 106.52 3.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.2 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 82.6 p -70.31 156.62 39.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.208 -175.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 686' ' ' VAL . . . . . . . . . . . . . 29.1 m -62.9 -26.44 40.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.246 172.652 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 687' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -64.73 -44.26 90.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.171 175.223 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 688' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -63.16 -43.62 97.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.196 176.237 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 689' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -58.41 -43.33 88.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.174 176.041 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 690' ' ' ASN . . . . . . . . . . . . . 99.8 m-20 -60.21 -43.01 96.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.197 178.46 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 691' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -59.25 -41.06 87.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.188 177.668 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 692' ' ' VAL . . . . . . . . . . . . . 53.1 t -64.91 -44.51 96.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.196 177.508 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 693' ' ' LEU . . . . . . . . . . . . . 95.4 mt -64.68 -32.3 73.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.218 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 694' ' ' GLU . . . . . 0.424 ' HA ' ' HA ' ' A' ' 700' ' ' ARG . 97.5 mt-10 -86.87 9.1 20.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.184 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 695' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -69.85 -43.94 70.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.204 176.122 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 696' ' ' TYR . . . . . . . . . . . . . 19.9 m-30 -100.13 124.71 42.37 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.19 178.03 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 697' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_exo -54.33 -37.1 88.7 Favored 'Trans proline' 0 N--CA 1.458 -0.596 0 C-N-CA 121.745 1.63 . . . . 0.0 111.175 178.53 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 698' ' ' MET . . . . . . . . . . . . . 99.7 mmm -65.34 -28.49 69.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.209 -176.168 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 699' ' ' MET . . . . . . . . . . . . . 98.4 mmm -118.52 18.57 13.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.198 -178.308 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 700' ' ' ARG . . . . . 0.424 ' HA ' ' HA ' ' A' ' 694' ' ' GLU . 63.6 ttm-85 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.151 -169.275 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 586' ' ' CYS . . . . . . . . . . . . . 91.1 m . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.788 0.328 . . . . 0.0 111.218 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 587' ' ' ARG . . . . . 0.469 ' HB3' HD11 ' A' ' 608' ' ' LEU . 34.4 ptt-85 -60.24 -25.9 66.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.235 176.573 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 588' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -65.97 -34.67 78.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.232 175.256 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 91.7 mt -72.81 -47.44 46.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.226 177.429 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 590' ' ' VAL . . . . . . . . . . . . . 66.9 t -55.95 -46.29 80.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.175 177.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 591' ' ' ALA . . . . . . . . . . . . . . . -79.49 0.62 28.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.215 -173.001 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 73.7 m -65.17 -32.0 73.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.166 175.295 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 593' ' ' MET . . . . . 0.435 ' SD ' ' SD ' ' A' ' 632' ' ' MET . 24.9 ttt -77.72 130.19 74.3 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.196 175.272 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 80.1 Cg_exo -52.85 -43.66 54.48 Favored 'Trans proline' 0 N--CA 1.457 -0.644 0 C-N-CA 121.694 1.596 . . . . 0.0 111.227 179.628 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 595' ' ' LEU . . . . . . . . . . . . . 63.8 tp -59.96 -48.32 82.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.16 178.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 596' ' ' PHE . . . . . . . . . . . . . 14.2 m-30 -71.31 -24.17 62.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.175 -176.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 597' ' ' ALA . . . . . . . . . . . . . . . -71.23 -39.62 71.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.236 173.134 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 598' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -70.39 -27.82 64.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.199 174.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 599' ' ' ALA . . . . . . . . . . . . . . . -61.41 145.88 50.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.204 176.706 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 600' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -59.79 149.96 70.07 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.157 -176.618 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 601' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_exo -51.95 -34.47 56.56 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 121.702 1.602 . . . . 0.0 111.219 175.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 602' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -66.28 -36.04 81.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.226 176.439 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 603' ' ' PHE . . . . . . . . . . . . . 17.1 m-30 -70.08 -32.92 71.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.188 178.487 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 604' ' ' VAL . . . . . . . . . . . . . 76.0 t -63.1 -50.07 80.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.212 173.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 605' ' ' THR . . . . . . . . . . . . . 97.9 m -53.34 -47.61 69.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.206 174.68 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 606' ' ' SER . . . . . . . . . . . . . 73.3 m -58.1 -45.32 87.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.204 179.437 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 72.0 mtm -65.05 -32.17 73.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.228 178.642 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 608' ' ' LEU . . . . . 0.469 HD11 ' HB3' ' A' ' 587' ' ' ARG . 73.8 mt -68.14 -33.25 74.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.241 177.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 609' ' ' THR . . . . . . . . . . . . . 81.3 p -81.06 -21.29 40.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.222 176.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 610' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -95.31 0.36 53.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.22 172.04 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 611' ' ' LEU . . . . . . . . . . . . . 30.7 tp -68.79 132.19 46.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.213 -176.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 612' ' ' ARG . . . . . . . . . . . . . 90.9 mtt180 -105.98 149.84 26.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.22 173.042 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 613' ' ' PHE . . . . . . . . . . . . . 36.2 t80 -123.98 137.63 54.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.2 177.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 71.7 tt0 -148.74 132.1 16.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.16 -179.556 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 615' ' ' VAL . . . . . 0.471 HG23 ' HG2' ' A' ' 680' ' ' ARG . 95.4 t -96.55 125.0 49.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.198 175.206 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 616' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -101.53 141.42 34.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.171 -178.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 617' ' ' GLN . . . . . . . . . . . . . 87.4 mt-30 -87.4 161.17 46.52 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.225 -177.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 618' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -55.06 121.66 10.3 Favored 'Trans proline' 0 N--CA 1.458 -0.578 0 C-N-CA 121.689 1.592 . . . . 0.0 111.197 176.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 619' ' ' GLY . . . . . . . . . . . . . . . 92.67 -8.38 76.77 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 176.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 620' ' ' ASP . . . . . . . . . . . . . 61.1 t0 -70.23 125.33 26.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.812 0.339 . . . . 0.0 111.152 -179.615 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 621' ' ' TYR . . . . . . . . . . . . . 69.6 m-85 -77.32 135.95 38.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.181 179.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 622' ' ' ILE . . . . . . . . . . . . . 71.1 mt -105.47 -45.41 8.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.192 -178.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 623' ' ' ILE . . . . . . . . . . . . . 67.2 mt -131.56 134.14 60.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.211 178.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -100.74 134.19 44.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.168 175.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 625' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -69.24 138.36 53.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.179 178.07 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 626' ' ' GLY . . . . . . . . . . . . . . . 89.55 16.1 57.41 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.179 -0.768 . . . . 0.0 111.179 176.114 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 627' ' ' THR . . . . . . . . . . . . . 52.8 p -117.99 160.07 22.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.81 0.338 . . . . 0.0 111.168 177.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 628' ' ' ILE . . . . . . . . . . . . . 72.1 mt -99.25 79.87 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.222 -179.653 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 629' ' ' GLY . . . . . . . . . . . . . . . -74.68 154.55 47.24 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 177.614 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 630' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -130.08 16.98 5.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.81 0.338 . . . . 0.0 111.199 178.163 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 631' ' ' LYS . . . . . . . . . . . . . 12.0 mptt -120.04 139.94 51.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.182 -177.487 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 632' ' ' MET . . . . . 0.435 ' SD ' ' SD ' ' A' ' 593' ' ' MET . 27.5 ttt -112.94 138.44 49.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.216 174.366 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 633' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -113.87 139.42 49.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.168 -169.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 634' ' ' PHE . . . . . . . . . . . . . 86.2 m-85 -120.73 136.61 54.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.164 174.045 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 635' ' ' ILE . . . . . . . . . . . . . 71.7 mt -99.18 114.91 38.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.175 -171.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 48.0 tt0 -92.8 -41.82 9.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.209 176.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 637' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 -142.85 150.93 40.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.223 174.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 638' ' ' GLY . . . . . . . . . . . . . . . 97.9 177.78 33.52 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 173.215 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 639' ' ' VAL . . . . . . . . . . . . . 97.6 t -128.8 134.98 63.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.825 0.345 . . . . 0.0 111.195 -177.177 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 640' ' ' VAL . . . . . . . . . . . . . 28.3 m -120.17 157.65 22.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.222 174.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 641' ' ' SER . . . . . . . . . . . . . 53.6 m -109.92 126.49 53.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.232 175.037 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 642' ' ' VAL . . . . . 0.432 HG23 HG23 ' A' ' 673' ' ' VAL . 59.4 t -110.99 114.34 46.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.197 -179.786 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 643' ' ' LEU . . . . . . . . . . . . . 65.3 tp -105.52 118.57 36.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.168 -179.232 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 644' ' ' THR . . . . . 0.402 ' HB ' ' HB2' ' A' ' 647' ' ' ASN . 94.8 m -104.5 138.63 40.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.165 -176.253 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 89.1 tttt -56.61 120.1 7.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.22 -176.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 646' ' ' GLY . . . . . . . . . . . . . . . 79.39 7.48 88.45 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.189 -0.765 . . . . 0.0 111.189 173.012 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 647' ' ' ASN . . . . . 0.402 ' HB2' ' HB ' ' A' ' 644' ' ' THR . 67.8 m-80 -130.7 159.9 35.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.783 0.325 . . . . 0.0 111.22 -176.31 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 648' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -68.59 148.31 50.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.149 179.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 649' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -69.89 138.85 52.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.212 -179.324 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 650' ' ' THR . . . . . . . . . . . . . 93.7 m -125.58 138.99 53.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.189 177.43 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 651' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -102.63 144.5 30.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.234 -176.419 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 86.7 mt -126.7 148.23 49.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.241 179.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -141.06 -171.07 3.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.186 -172.417 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 654' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -41.76 119.88 1.39 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.177 178.19 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 655' ' ' GLY . . . . . . . . . . . . . . . 100.57 -2.45 55.97 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.179 -0.768 . . . . 0.0 111.179 175.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 656' ' ' SER . . . . . . . . . . . . . 45.6 m -99.4 175.29 5.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.795 0.331 . . . . 0.0 111.226 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 657' ' ' TYR . . . . . . . . . . . . . 50.1 p90 -159.88 162.14 34.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.153 -179.741 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 658' ' ' PHE . . . . . . . . . . . . . 52.9 p90 -159.68 171.89 18.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.178 -178.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 659' ' ' GLY . . . . . 0.459 ' O ' ' HB2' ' A' ' 662' ' ' CYS . . . 88.72 10.36 67.35 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 177.84 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 660' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -56.4 -33.11 65.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.759 0.314 . . . . 0.0 111.22 -179.152 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 661' ' ' ILE . . . . . 0.466 ' HB ' HH11 ' A' ' 669' ' ' ARG . 91.2 mt -57.97 -35.88 53.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.177 179.005 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 662' ' ' CYS . . . . . 0.459 ' HB2' ' O ' ' A' ' 659' ' ' GLY . 99.4 m -59.97 -32.16 70.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.193 -176.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 663' ' ' LEU . . . . . . . . . . . . . 7.5 mp -95.57 -33.42 12.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.235 -177.343 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 97.2 mt -78.98 -31.31 44.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.172 -174.27 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 665' ' ' THR . . . . . . . . . . . . . 29.9 p -118.88 179.94 4.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.195 -175.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 666' ' ' ARG . . . . . . . . . . . . . 89.9 mmt-85 -134.54 53.43 2.0 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.19 -178.677 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . -155.68 -164.77 13.53 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 -176.28 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 90.0 mtm180 -79.31 143.36 35.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.832 0.349 . . . . 0.0 111.197 -177.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 669' ' ' ARG . . . . . 0.466 HH11 ' HB ' ' A' ' 661' ' ' ILE . 56.4 ttt85 -89.95 134.2 34.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.2 176.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 670' ' ' THR . . . . . . . . . . . . . 40.4 p -95.54 42.1 1.09 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.187 -176.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 671' ' ' ALA . . . . . . . . . . . . . . . -158.04 155.44 29.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.238 179.038 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 672' ' ' SER . . . . . . . . . . . . . 94.0 p -126.6 154.66 43.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.22 177.31 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 673' ' ' VAL . . . . . 0.432 HG23 HG23 ' A' ' 642' ' ' VAL . 46.3 t -134.85 131.63 53.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.212 -176.06 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 674' ' ' ARG . . . . . . . . . . . . . 58.6 ttp180 -134.33 137.29 44.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.184 179.185 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 675' ' ' ALA . . . . . . . . . . . . . . . -76.31 134.97 39.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.19 -178.495 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 676' ' ' ASP . . . . . . . . . . . . . 69.4 m-20 -90.92 -20.33 22.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.245 -177.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 14.9 t -151.11 -166.93 2.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.18 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 678' ' ' TYR . . . . . . . . . . . . . 81.5 m-85 -70.05 94.34 0.87 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.205 173.605 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 679' ' ' CYS . . . . . . . . . . . . . 84.7 m -106.15 142.18 36.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.211 -168.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 680' ' ' ARG . . . . . 0.471 ' HG2' HG23 ' A' ' 615' ' ' VAL . 99.9 mtt180 -109.26 102.79 11.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.165 -178.738 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 681' ' ' LEU . . . . . . . . . . . . . 7.2 mp -118.1 150.85 38.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.181 -170.511 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 682' ' ' TYR . . . . . . . . . . . . . 68.2 m-85 -117.33 143.93 45.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.214 176.151 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 683' ' ' SER . . . . . . . . . . . . . 40.8 t -120.95 130.97 54.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.177 -170.167 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 684' ' ' LEU . . . . . . . . . . . . . 83.7 mt -126.2 127.57 45.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.182 167.27 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 75.2 p -88.86 154.39 20.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.206 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 686' ' ' VAL . . . . . . . . . . . . . 8.4 p -62.74 -30.08 48.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.19 175.35 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 687' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -64.18 -45.37 88.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.192 175.293 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 688' ' ' ASN . . . . . . . . . . . . . 96.8 m-20 -60.18 -45.46 93.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.192 177.139 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 689' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -61.96 -41.52 98.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.153 179.135 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 690' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -59.28 -42.64 91.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.174 176.639 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 691' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -60.65 -44.77 96.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.173 175.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 692' ' ' VAL . . . . . . . . . . . . . 55.3 t -56.26 -40.83 68.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.184 178.432 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 693' ' ' LEU . . . . . . . . . . . . . 85.8 mt -67.25 -44.2 80.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.18 175.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 694' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -61.15 -29.73 69.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.234 -176.222 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 695' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -52.92 -37.49 60.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.215 179.511 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 696' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -109.77 103.32 52.94 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.249 175.495 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 697' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_exo -53.24 -37.32 80.39 Favored 'Trans proline' 0 N--CA 1.459 -0.546 0 C-N-CA 121.7 1.6 . . . . 0.0 111.179 -173.564 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 698' ' ' MET . . . . . . . . . . . . . 61.3 tpp -53.36 -60.04 3.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.205 178.535 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 699' ' ' MET . . . . . . . . . . . . . 96.5 mmm -67.6 -30.27 69.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.19 -179.506 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 700' ' ' ARG . . . . . . . . . . . . . 22.8 ttm180 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.185 176.647 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 586' ' ' CYS . . . . . . . . . . . . . 62.7 m . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.8 0.333 . . . . 0.0 111.213 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 587' ' ' ARG . . . . . 0.502 ' HG2' HD13 ' A' ' 608' ' ' LEU . 99.9 mtt180 -59.36 -44.1 92.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.164 177.593 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 588' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -68.14 -34.94 77.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.169 179.2 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 66.3 tp -58.68 -48.68 80.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.177 177.502 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 590' ' ' VAL . . . . . . . . . . . . . 75.6 t -67.84 -41.45 85.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.173 177.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 591' ' ' ALA . . . . . . . . . . . . . . . -59.78 -33.59 71.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.183 178.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 79.1 p -84.08 -9.17 58.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.196 -178.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 593' ' ' MET . . . . . . . . . . . . . 56.8 ttm -62.19 136.24 95.37 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.15 178.469 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_exo -48.77 -44.0 32.85 Favored 'Trans proline' 0 N--CA 1.458 -0.568 0 C-N-CA 121.662 1.575 . . . . 0.0 111.229 -179.491 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 595' ' ' LEU . . . . . . . . . . . . . 57.5 tp -54.81 -38.78 67.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.201 -179.396 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 596' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -108.14 10.53 28.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.189 -173.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 597' ' ' ALA . . . . . . . . . . . . . . . -59.88 -42.38 93.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.181 -173.378 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 598' ' ' ASN . . . . . . . . . . . . . 72.8 m-80 -105.86 13.81 28.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.179 -179.119 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 599' ' ' ALA . . . . . . . . . . . . . . . -80.48 146.58 31.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.201 -179.656 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 600' ' ' ASP . . . . . 0.421 ' HB2' ' SD ' ' A' ' 699' ' ' MET . 10.8 t70 -62.57 135.1 95.41 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.198 178.44 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 601' ' ' PRO . . . . . . . . . . . . . 69.5 Cg_exo -49.22 -39.06 42.54 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 121.69 1.593 . . . . 0.0 111.182 -179.467 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 602' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -72.05 -42.93 65.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.187 -179.043 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 603' ' ' PHE . . . . . . . . . . . . . 70.8 t80 -52.21 -50.57 61.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.213 173.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 604' ' ' VAL . . . . . . . . . . . . . 70.1 t -62.43 -51.18 75.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.218 -179.242 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 605' ' ' THR . . . . . . . . . . . . . 84.7 m -50.16 -42.14 50.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.23 -179.092 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 606' ' ' SER . . . . . . . . . . . . . 46.7 t -64.86 -46.77 80.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.212 177.402 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 98.1 mmm -61.48 -28.76 69.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.185 -179.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 608' ' ' LEU . . . . . 0.502 HD13 ' HG2' ' A' ' 587' ' ' ARG . 80.9 mt -69.77 -13.81 62.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.139 -177.16 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 609' ' ' THR . . . . . . . . . . . . . 80.5 p -103.81 4.88 35.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.223 175.677 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 610' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -103.71 -3.79 24.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.197 177.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 611' ' ' LEU . . . . . 0.492 HD21 HD22 ' A' ' 684' ' ' LEU . 25.0 mt -59.86 130.6 47.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.227 -175.479 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 612' ' ' ARG . . . . . . . . . . . . . 94.5 mtt-85 -109.66 99.72 8.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.199 174.112 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 613' ' ' PHE . . . . . . . . . . . . . 49.8 m-85 -80.82 152.28 28.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.184 -170.606 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -161.22 134.12 6.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.198 175.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 615' ' ' VAL . . . . . . . . . . . . . 97.4 t -92.92 142.74 12.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.216 -179.215 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 616' ' ' PHE . . . . . 0.476 ' HB2' ' SG ' ' A' ' 679' ' ' CYS . 96.6 m-85 -129.99 144.61 51.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.235 -176.858 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 617' ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -101.58 162.64 19.83 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.208 175.631 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 618' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_exo -51.78 127.0 21.42 Favored 'Trans proline' 0 N--CA 1.458 -0.589 0 C-N-CA 121.718 1.612 . . . . 0.0 111.186 177.393 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 619' ' ' GLY . . . . . . . . . . . . . . . 99.88 -19.99 51.0 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.206 -0.758 . . . . 0.0 111.206 176.545 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 620' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -67.41 136.6 54.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.788 0.327 . . . . 0.0 111.185 -178.403 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 621' ' ' TYR . . . . . . . . . . . . . 59.2 m-85 -92.59 140.69 29.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.199 -179.049 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 622' ' ' ILE . . . . . . . . . . . . . 5.2 mp -107.57 -40.02 4.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.179 176.178 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 623' ' ' ILE . . . . . . . . . . . . . 62.7 mt -131.11 140.65 48.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.213 177.44 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 96.6 mtt-85 -121.68 127.0 50.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.206 174.522 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 625' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -58.34 133.08 55.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.195 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 626' ' ' GLY . . . . . . . . . . . . . . . 98.49 -21.44 45.97 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 179.336 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 627' ' ' THR . . . . . . . . . . . . . 97.1 m -75.55 139.54 42.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.764 0.316 . . . . 0.0 111.235 -179.679 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 628' ' ' ILE . . . . . . . . . . . . . 95.9 mt -81.71 125.25 39.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.214 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 629' ' ' GLY . . . . . . . . . . . . . . . -178.07 136.67 3.07 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 179.191 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 630' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -119.81 48.39 1.55 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.846 0.355 . . . . 0.0 111.232 -179.666 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 631' ' ' LYS . . . . . 0.524 ' H ' ' NH2' ' A' ' 669' ' ' ARG . 98.2 mttt -118.27 135.12 54.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.216 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 632' ' ' MET . . . . . . . . . . . . . 92.7 mtp -90.55 146.16 24.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.183 175.069 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 633' ' ' TYR . . . . . . . . . . . . . 91.0 m-85 -119.35 133.57 55.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.206 -178.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 634' ' ' PHE . . . . . . . . . . . . . 34.3 m-85 -121.31 134.84 55.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.185 -177.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 635' ' ' ILE . . . . . 0.409 ' HA ' ' HG ' ' A' ' 681' ' ' LEU . 84.1 mt -88.04 113.28 24.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.237 -173.737 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 71.6 tp60 -75.9 -40.02 55.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.185 176.366 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 637' ' ' HIS . . . . . . . . . . . . . 35.3 p80 -169.96 160.66 8.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.203 171.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 638' ' ' GLY . . . . . . . . . . . . . . . 101.2 -177.21 27.34 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 -179.544 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 639' ' ' VAL . . . . . . . . . . . . . 94.4 t -117.47 123.36 71.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.772 0.32 . . . . 0.0 111.174 -176.653 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 640' ' ' VAL . . . . . . . . . . . . . 73.9 t -126.61 130.75 71.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.193 -179.243 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 641' ' ' SER . . . . . . . . . . . . . 31.0 t -93.39 132.34 37.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.169 -175.624 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 642' ' ' VAL . . . . . . . . . . . . . 88.8 t -118.07 122.52 69.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.191 179.464 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 643' ' ' LEU . . . . . . . . . . . . . 65.6 tp -115.13 112.6 22.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.206 178.085 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 644' ' ' THR . . . . . . . . . . . . . 93.8 m -99.7 139.86 34.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.153 -175.752 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 89.0 tttt -53.35 119.28 4.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.228 -176.582 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 646' ' ' GLY . . . . . . . . . . . . . . . 85.02 5.03 86.46 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.204 -0.759 . . . . 0.0 111.204 173.082 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 647' ' ' ASN . . . . . . . . . . . . . 70.5 m-80 -125.79 155.72 40.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.807 0.337 . . . . 0.0 111.228 -178.494 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 648' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -65.77 150.7 48.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.175 -179.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 649' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -65.36 133.35 51.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.187 178.615 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 650' ' ' THR . . . . . . . . . . . . . 58.2 p -125.27 164.85 19.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.19 178.366 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 651' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -125.22 139.37 53.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.224 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 90.0 mt -121.53 156.24 33.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.184 177.502 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -136.3 -172.77 3.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.22 -175.247 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 654' ' ' ASP . . . . . . . . . . . . . 68.2 t0 -44.76 123.69 3.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.178 179.477 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 655' ' ' GLY . . . . . . . . . . . . . . . 103.19 -16.66 53.23 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.232 -0.747 . . . . 0.0 111.232 173.547 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 656' ' ' SER . . . . . . . . . . . . . 74.6 m -89.84 169.75 10.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.79 0.329 . . . . 0.0 111.209 179.129 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 657' ' ' TYR . . . . . . . . . . . . . 44.8 p90 -154.91 170.0 22.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.208 -177.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 658' ' ' PHE . . . . . . . . . . . . . 34.7 p90 -158.46 163.34 37.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.231 -178.23 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 659' ' ' GLY . . . . . . . . . . . . . . . 110.17 -12.92 31.38 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 -177.62 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 660' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -54.96 -42.72 72.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.825 0.345 . . . . 0.0 111.256 -179.569 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 661' ' ' ILE . . . . . . . . . . . . . 97.1 mt -70.95 -37.93 70.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.184 178.487 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 662' ' ' CYS . . . . . . . . . . . . . 90.7 m -60.94 -35.44 76.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.199 -177.468 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 663' ' ' LEU . . . . . . . . . . . . . 7.1 mp -64.54 -19.94 65.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.173 177.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 86.3 mt -92.34 4.95 52.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.265 -176.393 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 665' ' ' THR . . . . . . . . . . . . . 30.1 p -91.91 -169.97 2.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.195 178.369 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 666' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -84.12 2.18 40.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.176 178.262 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 131.34 -33.85 2.71 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.165 -0.774 . . . . 0.0 111.165 175.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 83.7 mtp180 -80.8 141.97 34.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.853 0.359 . . . . 0.0 111.194 178.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 669' ' ' ARG . . . . . 0.524 ' NH2' ' H ' ' A' ' 631' ' ' LYS . 29.5 mmt180 -71.51 145.63 49.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.206 179.748 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 670' ' ' THR . . . . . . . . . . . . . 58.0 p -111.92 24.45 12.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.169 177.324 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 671' ' ' ALA . . . . . . . . . . . . . . . -155.57 158.62 38.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.175 -178.515 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 672' ' ' SER . . . . . . . . . . . . . 59.8 m -121.07 136.81 54.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.211 173.096 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 673' ' ' VAL . . . . . . . . . . . . . 64.9 t -133.25 134.13 57.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.227 -171.713 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 674' ' ' ARG . . . . . . . . . . . . . 37.8 ptt180 -147.45 153.51 39.66 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.234 178.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 675' ' ' ALA . . . . . . . . . . . . . . . -80.7 139.4 36.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.176 -175.318 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 676' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -95.95 -35.39 11.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.183 175.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 44.7 p -127.79 165.18 20.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.254 176.114 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 678' ' ' TYR . . . . . . . . . . . . . 67.3 t80 -56.07 112.89 1.32 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.18 174.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 679' ' ' CYS . . . . . 0.476 ' SG ' ' HB2' ' A' ' 616' ' ' PHE . 31.6 p -138.47 170.0 16.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.216 -164.839 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 680' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -138.95 133.96 32.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.251 176.553 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 681' ' ' LEU . . . . . 0.409 ' HG ' ' HA ' ' A' ' 635' ' ' ILE . 4.7 mp -127.9 173.76 9.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.213 -178.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 682' ' ' TYR . . . . . . . . . . . . . 32.1 p90 -145.07 149.39 34.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.216 167.597 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 683' ' ' SER . . . . . . . . . . . . . 28.8 t -112.67 145.32 40.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.18 -168.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 684' ' ' LEU . . . . . 0.492 HD22 HD21 ' A' ' 611' ' ' LEU . 78.6 mt -132.09 123.16 26.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.199 168.818 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 71.8 p -77.42 151.27 34.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.167 -179.322 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 686' ' ' VAL . . . . . . . . . . . . . 9.5 p -58.14 -27.87 33.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.219 173.169 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 687' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -66.63 -40.72 88.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.185 175.483 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 688' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -67.06 -40.58 87.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.172 177.385 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 689' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -58.58 -49.43 77.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.241 176.355 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 690' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -68.59 -36.82 79.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.235 -179.311 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 691' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -59.0 -51.19 71.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.245 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 692' ' ' VAL . . . . . . . . . . . . . 76.6 t -70.7 -34.69 57.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.207 179.582 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 693' ' ' LEU . . . . . 0.413 HD12 ' HB3' ' A' ' 699' ' ' MET . 28.5 tp -55.92 -43.92 77.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.215 174.67 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 694' ' ' GLU . . . . . . . . . . . . . 60.1 mt-10 -85.45 -20.36 29.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.172 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 695' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -53.58 -47.38 70.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.24 176.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 696' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -93.95 121.33 64.45 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.184 177.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 697' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_exo -54.36 -33.79 77.99 Favored 'Trans proline' 0 N--CA 1.458 -0.585 0 C-N-CA 121.687 1.591 . . . . 0.0 111.186 -179.566 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 698' ' ' MET . . . . . . . . . . . . . 99.8 mmm -67.85 -30.13 69.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.21 -178.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 699' ' ' MET . . . . . 0.421 ' SD ' ' HB2' ' A' ' 600' ' ' ASP . 99.3 mmm -96.8 -19.91 18.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.228 -178.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 700' ' ' ARG . . . . . . . . . . . . . 39.2 ttm180 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.204 -177.366 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 586' ' ' CYS . . . . . . . . . . . . . 57.2 m . . . . . 0 CA--C 1.523 -0.069 0 CA-C-O 120.862 0.363 . . . . 0.0 111.214 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 587' ' ' ARG . . . . . . . . . . . . . 63.7 ttm-85 -56.74 -50.05 73.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.175 177.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 588' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -67.11 -41.25 86.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.235 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 33.6 tp -57.96 -47.97 81.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.232 179.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 590' ' ' VAL . . . . . . . . . . . . . 58.3 t -66.05 -40.18 86.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.202 177.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 591' ' ' ALA . . . . . . . . . . . . . . . -70.43 -11.39 60.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.144 -175.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 66.1 m -67.06 -21.67 65.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.209 -177.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 593' ' ' MET . . . . . . . . . . . . . 73.9 mtm -54.9 128.73 64.7 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.188 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -54.68 -45.05 43.89 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 121.658 1.572 . . . . 0.0 111.216 176.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 595' ' ' LEU . . . . . . . . . . . . . 60.2 tp -62.93 -40.71 98.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.176 -177.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 596' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -100.63 14.89 29.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.155 -177.117 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 597' ' ' ALA . . . . . . . . . . . . . . . -60.0 -35.36 74.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.206 178.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 598' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -110.03 20.06 18.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.176 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 599' ' ' ALA . . . . . . . . . . . . . . . -67.12 149.55 50.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.228 179.627 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 600' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -58.66 143.57 81.66 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.185 178.207 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 601' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_exo -51.62 -34.47 53.08 Favored 'Trans proline' 0 N--CA 1.458 -0.598 0 C-N-CA 121.701 1.6 . . . . 0.0 111.178 175.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 602' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -72.47 -35.07 68.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.228 179.531 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 603' ' ' PHE . . . . . . . . . . . . . 10.9 m-30 -67.29 -35.26 79.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.187 176.039 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 604' ' ' VAL . . . . . . . . . . . . . 75.9 t -63.6 -51.17 73.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.184 175.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 605' ' ' THR . . . . . . . . . . . . . 88.9 m -56.99 -45.28 83.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.21 175.32 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 606' ' ' SER . . . . . . . . . . . . . 57.9 m -54.98 -49.88 70.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.232 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 77.1 mtm -56.8 -46.03 81.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.18 177.277 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 608' ' ' LEU . . . . . . . . . . . . . 84.8 mt -59.31 -39.94 84.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.21 -176.402 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 609' ' ' THR . . . . . . . . . . . . . 80.6 p -77.21 -10.62 59.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.198 -176.311 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 610' ' ' LYS . . . . . . . . . . . . . 66.2 mttm -99.87 -6.03 27.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.217 179.038 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 611' ' ' LEU . . . . . . . . . . . . . 63.7 mt -64.99 131.72 47.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.173 -177.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 612' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -103.14 133.25 48.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.165 177.378 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 613' ' ' PHE . . . . . . . . . . . . . 84.0 t80 -92.05 135.05 34.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.175 -171.4 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -151.65 132.7 14.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.195 174.15 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 615' ' ' VAL . . . . . 0.56 HG23 ' HG2' ' A' ' 680' ' ' ARG . 99.4 t -93.87 143.67 11.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.246 173.41 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 616' ' ' PHE . . . . . 0.695 ' HB2' ' SG ' ' A' ' 679' ' ' CYS . 98.1 m-85 -124.44 135.21 53.07 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.227 178.064 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 617' ' ' GLN . . . . . 0.424 ' HG2' ' HB2' ' A' ' 620' ' ' ASP . 17.0 pt20 -93.91 161.47 29.86 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.231 -178.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 618' ' ' PRO . . . . . 0.441 ' HG3' ' HA ' ' A' ' 677' ' ' THR . 82.0 Cg_exo -52.08 123.99 13.78 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 121.73 1.62 . . . . 0.0 111.197 176.41 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 619' ' ' GLY . . . . . . . . . . . . . . . 94.89 -12.11 68.9 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.164 -0.775 . . . . 0.0 111.164 176.279 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 620' ' ' ASP . . . . . 0.424 ' HB2' ' HG2' ' A' ' 617' ' ' GLN . 65.6 t0 -73.62 118.65 16.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.798 0.332 . . . . 0.0 111.169 179.243 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 621' ' ' TYR . . . . . . . . . . . . . 60.5 m-85 -72.53 140.63 48.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.26 178.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 622' ' ' ILE . . . . . . . . . . . . . 68.6 mt -107.42 -44.95 7.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.169 178.278 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 623' ' ' ILE . . . . . . . . . . . . . 75.0 mt -134.94 121.77 35.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.197 175.441 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 37.1 mmt180 -79.93 138.11 37.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.212 177.096 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 625' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -67.64 130.96 44.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.184 178.362 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 626' ' ' GLY . . . . . . . . . . . . . . . 100.09 -4.8 57.47 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 177.137 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 627' ' ' THR . . . . . . . . . . . . . 44.3 p -99.94 157.12 16.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.785 0.326 . . . . 0.0 111.194 178.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 628' ' ' ILE . . . . . . . . . . . . . 97.5 mt -79.52 128.41 38.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.187 -176.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 629' ' ' GLY . . . . . . . . . . . . . . . -98.91 131.97 10.76 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.146 -0.782 . . . . 0.0 111.146 177.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 630' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -131.12 -3.76 3.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.804 0.335 . . . . 0.0 111.2 -179.013 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 631' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -125.03 144.56 50.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.176 -178.577 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 632' ' ' MET . . . . . . . . . . . . . 66.2 mtp -90.7 152.44 20.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.213 169.539 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 633' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -129.1 126.6 39.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.197 177.672 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 634' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -110.64 128.15 55.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.227 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 635' ' ' ILE . . . . . . . . . . . . . 73.2 mt -92.41 99.01 9.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.181 -174.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 21.7 tm0? -73.08 -31.71 64.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.18 -178.218 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 637' ' ' HIS . . . . . . . . . . . . . 80.2 t60 -168.82 140.06 2.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.189 176.04 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 638' ' ' GLY . . . . . . . . . . . . . . . 114.02 -178.86 18.51 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 639' ' ' VAL . . . . . . . . . . . . . 95.5 t -120.12 131.25 72.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.78 0.324 . . . . 0.0 111.189 -174.337 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 640' ' ' VAL . . . . . . . . . . . . . 86.7 t -128.76 136.61 59.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.182 175.499 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 641' ' ' SER . . . . . . . . . . . . . 29.6 t -100.94 128.22 47.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.19 -177.517 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 642' ' ' VAL . . . . . . . . . . . . . 70.0 t -112.42 98.57 7.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.211 177.06 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 643' ' ' LEU . . . . . . . . . . . . . 69.6 tp -84.78 110.06 18.53 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.217 -178.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 644' ' ' THR . . . . . . . . . . . . . 97.7 m -86.97 136.34 32.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.209 -176.18 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 89.3 tttt -55.34 118.92 4.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.221 -177.142 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 646' ' ' GLY . . . . . . . . . . . . . . . 72.8 15.05 78.06 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 173.688 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 647' ' ' ASN . . . . . . . . . . . . . 63.7 m-80 -139.7 160.02 40.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.722 0.296 . . . . 0.0 111.227 -176.663 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 648' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -63.12 138.96 58.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.212 175.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 649' ' ' GLU . . . . . . . . . . . . . 19.7 pm0 -64.89 147.3 53.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.182 -178.12 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 650' ' ' THR . . . . . . . . . . . . . 95.5 m -102.89 131.05 50.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.227 174.48 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 651' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -92.76 122.67 35.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.243 -179.356 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 77.8 mt -112.9 141.61 46.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.207 177.442 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -134.43 -170.06 2.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.22 -173.551 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 654' ' ' ASP . . . . . . . . . . . . . 58.4 t0 -51.54 115.64 1.71 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.192 176.718 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 655' ' ' GLY . . . . . . . . . . . . . . . 103.36 2.85 47.7 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 179.454 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 656' ' ' SER . . . . . . . . . . . . . 44.8 m -99.86 170.5 8.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.772 0.32 . . . . 0.0 111.234 176.324 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 657' ' ' TYR . . . . . . . . . . . . . 50.0 p90 -159.85 169.53 23.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.194 175.022 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 658' ' ' PHE . . . . . . . . . . . . . 41.0 p90 -155.15 171.47 19.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.208 -179.014 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 659' ' ' GLY . . . . . . . . . . . . . . . 92.47 4.69 65.8 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.179 -0.768 . . . . 0.0 111.179 -174.463 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 660' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -55.24 -35.47 64.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.785 0.326 . . . . 0.0 111.198 -177.023 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 661' ' ' ILE . . . . . . . . . . . . . 94.1 mt -55.0 -33.93 30.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.219 -179.464 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 662' ' ' CYS . . . . . . . . . . . . . 74.0 m -56.14 -30.32 61.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.215 -176.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 663' ' ' LEU . . . . . . . . . . . . . 94.2 mt -63.07 -32.14 73.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.187 179.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 95.1 mt -88.83 -37.69 15.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.195 -179.359 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 665' ' ' THR . . . . . . . . . . . . . 5.3 t -159.99 129.57 5.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.197 177.32 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 666' ' ' ARG . . . . . 0.641 ' HD3' ' HB ' ' A' ' 686' ' ' VAL . 85.7 mtm180 -87.43 74.48 9.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.166 178.51 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . -118.91 -167.93 13.96 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 -176.411 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 75.0 mtp180 -73.51 137.07 44.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.799 0.333 . . . . 0.0 111.211 179.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 56.3 ttt85 -90.49 130.48 36.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.216 179.617 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 670' ' ' THR . . . . . . . . . . . . . 41.2 p -93.66 42.41 1.1 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.159 178.65 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 671' ' ' ALA . . . . . . . . . . . . . . . -153.71 143.43 21.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.202 179.653 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 672' ' ' SER . . . . . . . . . . . . . 37.5 t -100.32 119.14 37.96 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.214 177.291 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 673' ' ' VAL . . . . . . . . . . . . . 58.2 t -107.85 119.02 56.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.158 -175.563 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 674' ' ' ARG . . . . . . . . . . . . . 59.7 ttp180 -136.09 136.97 40.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.174 -177.551 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 675' ' ' ALA . . . . . . . . . . . . . . . -71.64 139.29 49.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.168 -179.418 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 676' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -99.7 -36.53 9.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.187 -179.404 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 677' ' ' THR . . . . . 0.441 ' HA ' ' HG3' ' A' ' 618' ' ' PRO . 37.2 p -123.63 177.4 5.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.171 179.555 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 678' ' ' TYR . . . . . . . . . . . . . 84.2 m-85 -69.92 93.21 0.75 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.233 170.625 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 679' ' ' CYS . . . . . 0.695 ' SG ' ' HB2' ' A' ' 616' ' ' PHE . 27.7 p -114.42 152.76 31.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.206 -166.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 680' ' ' ARG . . . . . 0.56 ' HG2' HG23 ' A' ' 615' ' ' VAL . 99.6 mtt180 -112.93 114.75 27.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.155 -179.338 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 681' ' ' LEU . . . . . . . . . . . . . 7.9 mp -116.34 149.96 38.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.173 -173.003 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 682' ' ' TYR . . . . . . . . . . . . . 75.0 m-85 -116.4 128.33 55.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.202 169.319 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 683' ' ' SER . . . . . . . . . . . . . 96.5 p -111.1 155.02 23.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.217 -175.101 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 684' ' ' LEU . . . . . . . . . . . . . 41.4 tp -162.62 133.89 5.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.24 176.082 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 72.3 p -77.06 155.76 32.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.226 -173.162 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 686' ' ' VAL . . . . . 0.641 ' HB ' ' HD3' ' A' ' 666' ' ' ARG . 69.3 t -62.52 -32.98 57.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.206 173.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 687' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -58.94 -41.58 87.71 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.204 175.613 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 688' ' ' ASN . . . . . . . . . . . . . 97.2 m-20 -74.23 -35.7 63.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.164 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 689' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -57.91 -42.55 84.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.189 171.188 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 690' ' ' ASN . . . . . . . . . . . . . 97.1 m-20 -65.07 -38.2 90.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.255 176.667 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 691' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -59.71 -41.46 90.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.165 177.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 692' ' ' VAL . . . . . . . . . . . . . 57.4 t -65.11 -49.14 80.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.173 176.597 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 693' ' ' LEU . . . . . . . . . . . . . 84.6 mt -62.86 -29.37 70.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.185 -178.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 694' ' ' GLU . . . . . . . . . . . . . 61.5 mt-10 -100.5 14.05 32.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.145 -179.442 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 695' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -68.71 -40.85 79.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.194 179.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 696' ' ' TYR . . . . . . . . . . . . . 22.1 m-30 -100.0 129.95 27.32 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.216 174.325 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 697' ' ' PRO . . . . . . . . . . . . . 80.6 Cg_exo -53.3 -37.05 80.53 Favored 'Trans proline' 0 N--CA 1.458 -0.58 0 C-N-CA 121.699 1.599 . . . . 0.0 111.207 179.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 698' ' ' MET . . . . . . . . . . . . . 99.9 mmm -63.8 -30.1 71.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.204 -177.695 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 699' ' ' MET . . . . . . . . . . . . . 99.1 mmm -97.74 -20.01 17.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.199 179.17 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 700' ' ' ARG . . . . . . . . . . . . . 35.7 ttm180 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.207 174.549 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 586' ' ' CYS . . . . . . . . . . . . . 62.0 m . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.798 0.332 . . . . 0.0 111.213 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 587' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -58.79 -36.78 74.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.171 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 588' ' ' LYS . . . . . . . . . . . . . 64.6 pttt -61.99 -24.2 66.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.208 178.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 83.9 mt -90.96 -40.35 11.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.19 -179.128 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 590' ' ' VAL . . . . . . . . . . . . . 73.6 t -68.76 -31.85 52.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.21 178.137 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 591' ' ' ALA . . . . . . . . . . . . . . . -83.94 6.96 19.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.22 -176.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 61.5 p -80.3 -9.27 59.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.207 173.714 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 593' ' ' MET . . . . . . . . . . . . . 65.3 mtt -64.23 152.94 87.16 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.197 178.72 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 81.7 Cg_exo -54.94 -39.91 88.26 Favored 'Trans proline' 0 N--CA 1.459 -0.548 0 C-N-CA 121.71 1.607 . . . . 0.0 111.161 -178.077 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 595' ' ' LEU . . . . . . . . . . . . . 52.8 tp -52.04 -49.76 62.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.158 178.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 596' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -79.3 -33.32 43.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.215 -172.619 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 597' ' ' ALA . . . . . . . . . . . . . . . -60.21 -39.17 85.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.168 175.533 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 598' ' ' ASN . . . . . . . . . . . . . 73.1 m-80 -99.96 30.05 3.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.168 178.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 599' ' ' ALA . . . . . . . . . . . . . . . -125.12 151.47 45.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.158 177.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 600' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -65.67 151.89 93.84 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.199 176.1 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 601' ' ' PRO . . . . . . . . . . . . . 82.8 Cg_exo -51.66 -36.33 60.71 Favored 'Trans proline' 0 N--CA 1.458 -0.589 0 C-N-CA 121.726 1.617 . . . . 0.0 111.164 177.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 602' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -66.08 -40.88 91.17 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.23 177.217 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 603' ' ' PHE . . . . . . . . . . . . . 13.8 m-30 -67.67 -34.04 76.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.232 178.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 604' ' ' VAL . . . . . . . . . . . . . 66.6 t -62.28 -53.29 49.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.21 175.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 605' ' ' THR . . . . . . . . . . . . . 97.4 m -53.25 -48.4 68.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.214 179.019 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 606' ' ' SER . . . . . . . . . . . . . 58.3 m -63.69 -50.62 68.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.241 -177.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 61.0 mtt -61.62 -37.72 85.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.186 -173.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 608' ' ' LEU . . . . . . . . . . . . . 80.8 mt -64.6 -15.97 61.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.221 -176.378 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 609' ' ' THR . . . . . . . . . . . . . 69.7 p -100.45 -4.29 29.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.181 178.709 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 610' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -113.99 -15.78 12.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.232 -176.341 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 611' ' ' LEU . . . . . . . . . . . . . 76.4 mt -52.72 131.21 34.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.211 178.315 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 612' ' ' ARG . . . . . . . . . . . . . 53.1 ttp180 -104.88 122.15 45.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.205 172.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 613' ' ' PHE . . . . . . . . . . . . . 59.1 t80 -86.15 122.14 29.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.193 -177.546 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -129.82 126.15 37.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.173 -179.453 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 615' ' ' VAL . . . . . . . . . . . . . 99.3 t -98.38 140.54 17.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.195 175.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 616' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -127.44 140.03 52.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.233 -179.086 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 617' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -93.27 162.22 28.75 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.179 -178.218 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 618' ' ' PRO . . . . . 0.434 ' HG3' ' HA ' ' A' ' 677' ' ' THR . 78.2 Cg_exo -54.01 117.14 3.57 Favored 'Trans proline' 0 N--CA 1.458 -0.576 0 C-N-CA 121.654 1.569 . . . . 0.0 111.234 175.466 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 619' ' ' GLY . . . . . 0.429 ' O ' ' HD2' ' A' ' 674' ' ' ARG . . . 94.95 -4.98 68.55 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.173 -0.771 . . . . 0.0 111.173 177.489 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 620' ' ' ASP . . . . . . . . . . . . . 64.7 t0 -78.34 123.67 27.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.778 0.323 . . . . 0.0 111.2 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 621' ' ' TYR . . . . . . . . . . . . . 44.3 m-85 -68.75 141.19 55.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.173 178.022 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 622' ' ' ILE . . . . . . . . . . . . . 89.1 mt -100.73 -40.18 7.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.166 175.212 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 623' ' ' ILE . . . . . . . . . . . . . 19.1 tt -160.01 137.2 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.21 176.673 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -108.34 148.48 30.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.238 -175.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 625' ' ' GLU . . . . . . . . . . . . . 23.4 pt-20 -70.09 157.17 38.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.225 -179.158 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 626' ' ' GLY . . . . . . . . . . . . . . . 88.24 12.34 65.58 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 178.054 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 627' ' ' THR . . . . . . . . . . . . . 59.3 p -121.68 157.09 31.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.821 0.344 . . . . 0.0 111.191 178.404 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 628' ' ' ILE . . . . . . . . . . . . . 70.0 mt -99.54 80.09 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.167 -179.477 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 629' ' ' GLY . . . . . . . . . . . . . . . -77.76 147.36 32.2 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 -179.493 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 630' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -129.96 30.26 4.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.789 0.328 . . . . 0.0 111.247 176.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 631' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -128.42 139.73 52.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.191 -179.033 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 632' ' ' MET . . . . . . . . . . . . . 64.3 mtt -93.03 143.34 26.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.233 172.206 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 633' ' ' TYR . . . . . . . . . . . . . 90.4 m-85 -119.85 124.81 46.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.214 -175.692 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 634' ' ' PHE . . . . . . . . . . . . . 77.2 m-85 -120.16 131.18 54.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.158 -176.63 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 635' ' ' ILE . . . . . . . . . . . . . 75.8 mt -91.71 109.78 21.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.231 -172.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 70.6 tp60 -78.08 -37.86 45.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.202 176.642 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 637' ' ' HIS . . . . . . . . . . . . . 81.7 t60 -162.4 142.08 9.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.177 174.648 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 638' ' ' GLY . . . . . . . . . . . . . . . 113.03 177.63 19.58 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 177.122 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 639' ' ' VAL . . . . . . . . . . . . . 85.5 t -124.84 138.0 55.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.782 0.325 . . . . 0.0 111.231 -177.514 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 640' ' ' VAL . . . . . . . . . . . . . 17.6 m -123.98 147.53 28.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.179 177.207 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 641' ' ' SER . . . . . . . . . . . . . 29.1 t -95.01 123.47 38.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.224 176.16 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 642' ' ' VAL . . . . . 0.417 HG23 HG23 ' A' ' 673' ' ' VAL . 58.6 t -111.68 114.68 47.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.21 -177.829 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 643' ' ' LEU . . . . . . . . . . . . . 64.5 tp -112.59 120.0 40.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.182 -178.255 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 644' ' ' THR . . . . . . . . . . . . . 92.1 m -112.4 144.41 41.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.182 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -54.27 144.87 19.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.232 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 646' ' ' GLY . . . . . . . . . . . . . . . 100.6 7.92 50.2 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 -173.374 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 647' ' ' ASN . . . . . . . . . . . . . 52.7 t30 69.86 47.29 0.62 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.778 0.323 . . . . 0.0 111.162 179.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 648' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -110.18 94.52 5.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.22 179.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 649' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -100.05 120.04 39.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.199 -177.094 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 650' ' ' THR . . . . . . . . . . . . . 63.2 p -134.56 172.71 12.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.165 176.411 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 651' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -133.23 145.34 50.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.159 177.524 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 91.1 mt -121.75 149.3 43.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.163 176.28 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -129.48 -169.75 2.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.164 -170.698 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 654' ' ' ASP . . . . . . . . . . . . . 65.3 t0 -55.96 121.81 10.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.214 178.26 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 655' ' ' GLY . . . . . . . . . . . . . . . 100.05 -6.07 58.12 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 -179.721 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 656' ' ' SER . . . . . . . . . . . . . 34.4 m -93.76 169.77 10.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.798 0.332 . . . . 0.0 111.203 175.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 657' ' ' TYR . . . . . . . . . . . . . 34.1 p90 -157.53 169.1 25.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.197 178.524 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 658' ' ' PHE . . . . . . . . . . . . . 40.9 p90 -159.72 171.02 20.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.178 -177.574 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 659' ' ' GLY . . . . . . . . . . . . . . . 90.59 1.99 73.49 Favored Glycine 0 CA--C 1.522 0.521 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 177.594 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 660' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -59.58 -53.74 54.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.811 0.338 . . . . 0.0 111.221 178.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 661' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.05 -40.48 87.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.203 178.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 662' ' ' CYS . . . . . . . . . . . . . 42.2 t -54.57 -54.54 40.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.164 179.31 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 663' ' ' LEU . . . . . 0.563 ' C ' HD21 ' A' ' 663' ' ' LEU . 8.5 tt -60.42 -43.57 96.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.222 -179.87 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 81.0 mt -61.1 -39.76 91.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.171 -177.526 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 665' ' ' THR . . . . . . . . . . . . . 67.9 p -80.7 165.88 21.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.151 179.681 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 666' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -120.06 47.14 1.8 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.151 178.459 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . -148.88 -171.52 17.72 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 111.176 -0.769 . . . . 0.0 111.176 -178.037 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 89.9 mtm180 -79.26 137.98 37.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.815 0.341 . . . . 0.0 111.212 -178.074 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 77.5 ttt180 -76.77 141.72 40.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.195 -179.639 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 670' ' ' THR . . . . . . . . . . . . . 40.1 p -102.47 38.23 1.74 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.18 -179.595 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 671' ' ' ALA . . . . . . . . . . . . . . . -159.2 155.51 27.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.215 -177.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 672' ' ' SER . . . . . . . . . . . . . 95.9 p -132.91 155.37 49.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.195 178.565 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 673' ' ' VAL . . . . . 0.417 HG23 HG23 ' A' ' 642' ' ' VAL . 47.4 t -135.0 129.96 51.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.237 -177.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 674' ' ' ARG . . . . . 0.429 ' HD2' ' O ' ' A' ' 619' ' ' GLY . 60.1 ttp180 -131.12 134.1 46.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.186 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 675' ' ' ALA . . . . . . . . . . . . . . . -68.08 130.72 43.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.213 -177.045 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 676' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -85.83 -20.87 28.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.222 -178.32 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 677' ' ' THR . . . . . 0.481 ' O ' ' SG ' ' A' ' 679' ' ' CYS . 14.7 t -155.72 -169.04 2.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.189 -178.557 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 678' ' ' TYR . . . . . . . . . . . . . 89.7 t80 -59.99 99.88 0.08 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.242 172.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 679' ' ' CYS . . . . . 0.481 ' SG ' ' O ' ' A' ' 677' ' ' THR . 79.3 m -113.3 141.22 47.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.203 -171.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 680' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -115.82 115.07 25.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.218 174.58 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 681' ' ' LEU . . . . . . . . . . . . . 5.8 mp -119.96 155.25 33.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.182 -174.021 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 682' ' ' TYR . . . . . . . . . . . . . 80.3 m-85 -116.21 138.92 50.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.2 166.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 683' ' ' SER . . . . . . . . . . . . . 66.2 m -116.51 143.05 46.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.176 -177.33 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 684' ' ' LEU . . . . . . . . . . . . . 74.4 mt -133.48 127.4 33.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.241 170.391 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 85.0 p -83.74 158.81 21.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.218 179.181 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 686' ' ' VAL . . . . . . . . . . . . . 10.6 p -56.09 -31.54 31.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.237 171.58 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 687' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -64.3 -44.04 92.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.205 176.169 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 688' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -63.29 -43.5 97.71 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.148 176.489 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 689' ' ' PHE . . . . . . . . . . . . . 33.8 m-85 -62.75 -34.44 77.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.24 179.574 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 690' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -68.21 -44.1 76.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.18 175.505 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 691' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -58.45 -41.51 85.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.142 -179.098 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 692' ' ' VAL . . . . . . . . . . . . . 55.7 t -50.37 -35.11 12.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.236 177.65 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 693' ' ' LEU . . . . . . . . . . . . . 79.7 mt -94.74 -5.0 46.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.21 -172.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 694' ' ' GLU . . . . . 0.471 ' HA ' ' HE ' ' A' ' 700' ' ' ARG . 96.6 mt-10 -109.89 -10.97 14.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.2 -177.61 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 695' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -74.24 -7.61 53.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.204 174.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 696' ' ' TYR . . . . . . . . . . . . . 39.4 m-85 -125.56 80.79 65.61 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.154 178.15 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 697' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_exo -55.5 -31.53 78.72 Favored 'Trans proline' 0 N--CA 1.459 -0.533 0 C-N-CA 121.682 1.588 . . . . 0.0 111.195 -178.046 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 698' ' ' MET . . . . . . . . . . . . . 100.0 mmm -63.6 -31.76 73.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.191 -175.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 699' ' ' MET . . . . . . . . . . . . . 97.1 mmm -118.76 10.02 12.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.179 -178.491 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 700' ' ' ARG . . . . . 0.471 ' HE ' ' HA ' ' A' ' 694' ' ' GLU . 40.3 ttm180 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.207 -177.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 586' ' ' CYS . . . . . . . . . . . . . 41.8 t . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.793 0.33 . . . . 0.0 111.213 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 587' ' ' ARG . . . . . . . . . . . . . 60.0 ttp180 -46.85 -41.66 16.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.234 174.718 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 588' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -69.62 -25.18 63.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.166 -176.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 95.5 mt -80.7 -36.23 32.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.199 -178.182 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 590' ' ' VAL . . . . . . . . . . . . . 70.1 t -77.42 -38.39 26.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.209 175.456 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 591' ' ' ALA . . . . . . . . . . . . . . . -68.4 -14.12 62.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.198 -174.612 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 59.8 p -63.52 -24.9 68.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.222 177.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 593' ' ' MET . . . . . . . . . . . . . 53.4 ttm -69.96 133.35 88.1 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.183 174.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 99.9 Cg_exo -51.76 -37.46 65.15 Favored 'Trans proline' 0 N--CA 1.459 -0.559 0 C-N-CA 121.656 1.57 . . . . 0.0 111.225 -179.309 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 595' ' ' LEU . . . . . . . . . . . . . 88.1 mt -61.57 -29.65 70.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.192 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 596' ' ' PHE . . . . . . . . . . . . . 72.9 m-85 -107.85 14.55 25.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.207 -179.233 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 597' ' ' ALA . . . . . . . . . . . . . . . -71.85 -48.9 42.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.217 -179.597 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 598' ' ' ASN . . . . . . . . . . . . . 72.6 m-80 -110.13 12.94 23.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.227 -179.346 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 599' ' ' ALA . . . . . . . . . . . . . . . -66.85 149.97 49.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.204 -179.176 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 600' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -64.16 134.77 96.06 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.218 179.22 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 601' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_exo -51.08 -36.62 55.47 Favored 'Trans proline' 0 N--CA 1.457 -0.631 0 C-N-CA 121.726 1.617 . . . . 0.0 111.184 -178.066 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 602' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -70.46 -41.44 72.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.197 -178.518 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 603' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -61.28 -44.03 97.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.184 175.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 604' ' ' VAL . . . . . . . . . . . . . 78.5 t -62.52 -45.55 98.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.153 178.021 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 605' ' ' THR . . . . . . . . . . . . . 88.7 m -55.15 -48.52 73.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.192 177.06 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 606' ' ' SER . . . . . . . . . . . . . 73.6 m -54.29 -45.81 72.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.223 177.636 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 33.0 mmt -60.13 -46.01 91.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.137 176.154 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 608' ' ' LEU . . . . . 0.401 HD21 HD11 ' A' ' 611' ' ' LEU . 80.1 mt -55.96 -40.42 73.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.169 -177.065 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 609' ' ' THR . . . . . . . . . . . . . 65.9 p -76.48 -14.99 60.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.192 -178.341 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 610' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -104.87 8.65 34.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.205 -178.317 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 611' ' ' LEU . . . . . 0.443 HD21 ' CD2' ' A' ' 684' ' ' LEU . 80.3 mt -64.21 130.34 43.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.201 178.284 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 612' ' ' ARG . . . . . . . . . . . . . 75.7 ttt180 -102.46 123.76 46.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.223 177.197 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 613' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -102.02 147.77 26.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.222 -174.271 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -154.24 132.12 11.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.217 -178.463 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 615' ' ' VAL . . . . . . . . . . . . . 88.1 t -86.3 141.32 14.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.191 178.018 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 616' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -128.84 133.62 48.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.212 -179.647 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 617' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -90.9 165.18 22.86 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.235 179.263 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 618' ' ' PRO . . . . . . . . . . . . . 69.9 Cg_exo -54.51 117.06 3.54 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 121.707 1.605 . . . . 0.0 111.247 175.036 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 619' ' ' GLY . . . . . . . . . . . . . . . 94.78 -5.07 69.24 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 178.061 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 620' ' ' ASP . . . . . . . . . . . . . 62.7 t0 -74.77 125.86 29.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.767 0.317 . . . . 0.0 111.173 178.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 621' ' ' TYR . . . . . . . . . . . . . 53.5 m-85 -77.05 140.11 40.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.161 -175.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 622' ' ' ILE . . . . . . . . . . . . . 77.4 mt -105.74 -42.96 7.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.178 176.16 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 623' ' ' ILE . . . . . . . . . . . . . 59.1 mt -130.27 136.89 57.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.21 178.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 96.3 mtt-85 -120.11 124.79 46.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.225 172.733 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 625' ' ' GLU . . . . . . . . . . . . . 23.2 pt-20 -66.99 156.12 36.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.172 -179.64 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 626' ' ' GLY . . . . . . . . . . . . . . . 92.09 7.42 64.09 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.191 -0.764 . . . . 0.0 111.191 179.646 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 627' ' ' THR . . . . . . . . . . . . . 70.6 p -122.53 153.83 38.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.846 0.355 . . . . 0.0 111.19 176.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 628' ' ' ILE . . . . . . . . . . . . . 46.3 mm -64.02 127.18 24.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.22 -175.654 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 629' ' ' GLY . . . . . . . . . . . . . . . -87.01 141.59 17.77 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 630' ' ' LYS . . . . . . . . . . . . . 62.1 pttt -169.61 21.6 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.829 0.347 . . . . 0.0 111.229 -178.413 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 631' ' ' LYS . . . . . 0.482 ' HB2' HH22 ' A' ' 669' ' ' ARG . 98.6 mttt -142.25 150.04 40.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.219 179.479 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 632' ' ' MET . . . . . . . . . . . . . 71.6 mtm -118.98 137.94 53.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.187 172.403 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 633' ' ' TYR . . . . . . . . . . . . . 83.6 m-85 -115.08 136.24 53.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.186 -170.083 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 634' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 -120.26 139.85 52.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.224 175.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 635' ' ' ILE . . . . . 0.429 HG12 HD22 ' A' ' 681' ' ' LEU . 73.5 mt -92.89 103.06 14.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.159 -177.546 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -62.93 -51.0 68.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.165 174.652 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 637' ' ' HIS . . . . . . . . . . . . . 53.5 p-80 -159.07 169.1 25.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.167 172.161 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 638' ' ' GLY . . . . . . . . . . . . . . . 91.37 -175.53 39.39 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.174 -0.77 . . . . 0.0 111.174 178.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 639' ' ' VAL . . . . . . . . . . . . . 91.6 t -125.92 137.31 58.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.814 0.34 . . . . 0.0 111.209 -177.038 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 640' ' ' VAL . . . . . . . . . . . . . 30.4 m -124.84 154.49 32.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.229 175.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 641' ' ' SER . . . . . . . . . . . . . 33.4 t -105.34 123.36 47.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.162 176.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 642' ' ' VAL . . . . . 0.412 HG23 HG23 ' A' ' 673' ' ' VAL . 64.0 t -110.62 114.08 46.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.185 -179.126 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 643' ' ' LEU . . . . . . . . . . . . . 69.5 tp -111.28 114.02 26.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.184 -178.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 644' ' ' THR . . . . . . . . . . . . . 97.1 m -99.88 139.94 34.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.194 -178.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -50.27 126.86 15.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.233 -179.042 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 646' ' ' GLY . . . . . . . . . . . . . . . 118.47 10.17 8.85 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 -175.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 647' ' ' ASN . . . . . . . . . . . . . 53.0 t30 69.06 45.81 0.87 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.79 0.329 . . . . 0.0 111.162 -179.591 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 648' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -109.69 90.05 3.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.179 178.358 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 649' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -97.61 111.9 23.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.18 -175.414 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 650' ' ' THR . . . . . . . . . . . . . 71.6 p -125.95 167.29 15.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.21 175.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 651' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -128.84 145.46 51.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.201 178.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 85.9 mt -126.58 152.96 45.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.188 178.195 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -133.64 -177.66 4.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.191 -172.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 654' ' ' ASP . . . . . . . . . . . . . 66.6 t0 -43.01 124.14 3.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.191 179.027 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 655' ' ' GLY . . . . . . . . . . . . . . . 100.61 -5.4 56.91 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 172.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 656' ' ' SER . . . . . . . . . . . . . 74.1 m -98.08 175.85 5.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.806 0.336 . . . . 0.0 111.219 177.504 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 657' ' ' TYR . . . . . . . . . . . . . 30.2 p90 -150.76 168.18 25.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.212 -178.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 658' ' ' PHE . . . . . . . . . . . . . 42.8 p90 -161.02 159.89 29.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.217 178.474 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 659' ' ' GLY . . . . . 0.571 ' HA2' ' SG ' ' A' ' 662' ' ' CYS . . . 93.23 7.5 62.15 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 178.717 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 660' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -54.87 -50.16 69.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.79 0.328 . . . . 0.0 111.21 179.58 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 661' ' ' ILE . . . . . . . . . . . . . 95.1 mt -67.96 -32.86 58.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.19 -177.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 662' ' ' CYS . . . . . 0.571 ' SG ' ' HA2' ' A' ' 659' ' ' GLY . 78.6 m -54.66 -50.43 68.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.214 -176.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 663' ' ' LEU . . . . . . . . . . . . . 17.9 tp -80.02 -39.94 28.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.204 179.52 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 59.8 tp -53.26 -44.85 68.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.225 -179.522 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 665' ' ' THR . . . . . . . . . . . . . 45.3 p -101.51 -168.95 1.62 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.22 178.554 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 666' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -125.37 159.93 30.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.138 178.685 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 109.83 -171.83 15.34 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 178.34 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 92.0 mtm180 -80.64 155.09 27.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.81 0.338 . . . . 0.0 111.222 -178.473 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 669' ' ' ARG . . . . . 0.535 ' HE ' ' HB3' ' A' ' 662' ' ' CYS . 97.9 mtt180 -79.39 141.54 36.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.185 178.302 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 670' ' ' THR . . . . . . . . . . . . . 60.7 p -109.72 26.53 10.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.235 179.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 671' ' ' ALA . . . . . . . . . . . . . . . -150.79 151.02 31.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.229 -179.575 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 672' ' ' SER . . . . . . . . . . . . . 67.5 m -121.99 152.06 40.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.222 177.073 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 673' ' ' VAL . . . . . 0.412 HG23 HG23 ' A' ' 642' ' ' VAL . 58.6 t -135.04 132.98 53.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.253 -178.266 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 674' ' ' ARG . . . . . . . . . . . . . 58.6 ttp180 -134.96 133.8 39.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.199 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 675' ' ' ALA . . . . . . . . . . . . . . . -69.28 132.65 46.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.193 -177.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 676' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -86.57 -19.25 29.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.169 -175.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 14.0 t -152.33 -176.23 5.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.18 -178.668 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 678' ' ' TYR . . . . . . . . . . . . . 76.7 t80 -81.47 122.3 27.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.221 178.247 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 679' ' ' CYS . . . . . . . . . . . . . 30.9 p -166.46 -175.65 3.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.259 -175.358 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 680' ' ' ARG . . . . . . . . . . . . . 38.2 ttm180 -130.03 139.99 50.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.21 179.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 681' ' ' LEU . . . . . 0.429 HD22 HG12 ' A' ' 635' ' ' ILE . 4.6 mp -124.31 171.75 9.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.148 174.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 682' ' ' TYR . . . . . . . . . . . . . 51.4 p90 -146.15 147.85 31.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.188 173.155 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 683' ' ' SER . . . . . . . . . . . . . 88.7 p -138.36 161.99 35.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.23 -167.148 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 684' ' ' LEU . . . . . 0.443 ' CD2' HD21 ' A' ' 611' ' ' LEU . 61.3 mt -116.33 134.72 54.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.197 170.052 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 26.1 t -100.66 149.43 23.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.179 178.027 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 686' ' ' VAL . . . . . . . . . . . . . 7.6 p -52.94 -29.1 14.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.237 174.17 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 687' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -61.16 -43.82 98.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.192 175.437 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 688' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -66.67 -37.81 85.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.222 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 689' ' ' PHE . . . . . . . . . . . . . 37.0 m-85 -62.53 -46.17 89.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.205 175.164 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 690' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -59.97 -40.03 87.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.204 -179.508 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 691' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -55.64 -51.02 68.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.211 177.394 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 692' ' ' VAL . . . . . . . . . . . . . 65.8 t -66.76 -40.83 86.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.219 -178.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 693' ' ' LEU . . . . . . . . . . . . . 92.2 mt -63.9 -39.73 94.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.199 -177.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 694' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -76.27 -33.05 59.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.198 177.214 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 695' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -65.3 -41.27 94.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.186 -179.274 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 696' ' ' TYR . . . . . . . . . . . . . 86.8 m-85 -116.28 101.9 53.72 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.194 177.616 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 697' ' ' PRO . . . . . . . . . . . . . 80.6 Cg_exo -53.7 -32.3 64.67 Favored 'Trans proline' 0 N--CA 1.458 -0.592 0 C-N-CA 121.69 1.593 . . . . 0.0 111.177 -179.022 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 698' ' ' MET . . . . . . . . . . . . . 99.6 mmm -65.44 -35.8 82.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.189 178.384 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 699' ' ' MET . . . . . . . . . . . . . 67.3 mtt -80.11 -29.95 39.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.136 -179.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 700' ' ' ARG . . . . . . . . . . . . . 80.2 ttt180 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.203 -178.157 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 586' ' ' CYS . . . . . . . . . . . . . 19.3 p . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.779 0.323 . . . . 0.0 111.158 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 587' ' ' ARG . . . . . . . . . . . . . 58.6 ttp180 -46.55 -42.04 15.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.235 -177.045 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 588' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -62.09 -49.71 74.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.203 178.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 94.9 mt -62.43 -32.62 73.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.187 -177.001 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 590' ' ' VAL . . . . . . . . . . . . . 75.6 t -71.87 -50.1 40.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.212 175.26 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 591' ' ' ALA . . . . . . . . . . . . . . . -66.63 -22.06 66.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.196 -175.688 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 53.2 p -65.86 -19.6 65.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.203 -179.579 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 593' ' ' MET . . . . . . . . . . . . . 97.4 mmm -79.85 138.4 53.84 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.199 177.236 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 70.0 Cg_exo -52.44 -40.37 71.62 Favored 'Trans proline' 0 N--CA 1.457 -0.628 0 C-N-CA 121.674 1.583 . . . . 0.0 111.214 -174.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 595' ' ' LEU . . . . . . . . . . . . . 65.7 tp -50.64 -44.38 57.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.234 -179.04 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 596' ' ' PHE . . . . . . . . . . . . . 99.8 m-85 -94.75 -25.3 16.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.189 -172.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 597' ' ' ALA . . . . . . . . . . . . . . . -60.5 -39.26 87.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.194 174.68 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 598' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -92.99 10.57 30.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.239 -179.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 599' ' ' ALA . . . . . . . . . . . . . . . -106.56 155.97 19.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.182 178.566 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 600' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -60.68 132.14 91.29 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.199 178.169 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 601' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_exo -53.32 -34.47 70.63 Favored 'Trans proline' 0 N--CA 1.458 -0.599 0 C-N-CA 121.681 1.587 . . . . 0.0 111.189 -179.182 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 602' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -67.04 -29.77 69.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.19 -178.157 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 603' ' ' PHE . . . . . . . . . . . . . 20.6 m-30 -86.95 -33.35 19.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.163 179.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 604' ' ' VAL . . . . . . . . . . . . . 76.9 t -60.24 -47.01 93.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.204 176.368 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 605' ' ' THR . . . . . . . . . . . . . 76.5 p -70.97 -19.92 62.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.212 -179.196 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 606' ' ' SER . . . . . . . . . . . . . 58.3 m -79.43 -37.89 36.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.203 175.461 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 90.9 mmm -64.86 -20.18 66.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.22 179.15 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 608' ' ' LEU . . . . . . . . . . . . . 90.2 mt -57.26 -27.18 61.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.213 176.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 609' ' ' THR . . . . . . . . . . . . . 82.0 p -95.46 7.18 46.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.187 -179.301 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 610' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -121.75 -24.22 5.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.213 178.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 611' ' ' LEU . . . . . . . . . . . . . 83.5 mt -77.92 153.16 32.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.201 178.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 612' ' ' ARG . . . . . . . . . . . . . 80.8 mtp180 -124.86 167.91 13.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.195 -178.527 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 613' ' ' PHE . . . . . . . . . . . . . 47.9 p90 -134.45 159.86 39.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.233 174.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -140.0 133.74 30.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.203 -177.038 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 615' ' ' VAL . . . . . . . . . . . . . 98.3 t -97.07 143.9 11.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.172 176.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 616' ' ' PHE . . . . . 0.631 ' HB2' ' SG ' ' A' ' 679' ' ' CYS . 97.7 m-85 -136.58 150.03 48.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.184 -176.736 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 617' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 -112.48 163.42 17.86 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.18 -177.215 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 618' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_exo -53.12 123.18 12.59 Favored 'Trans proline' 0 N--CA 1.458 -0.59 0 C-N-CA 121.703 1.602 . . . . 0.0 111.188 178.351 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 619' ' ' GLY . . . . . . . . . . . . . . . 94.97 -12.16 68.78 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 176.031 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 620' ' ' ASP . . . . . . . . . . . . . 64.5 t0 -73.69 123.43 24.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.819 0.342 . . . . 0.0 111.161 -178.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 621' ' ' TYR . . . . . . . . . . . . . 63.8 m-85 -73.55 143.25 46.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.155 179.169 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 622' ' ' ILE . . . . . . . . . . . . . 58.9 mt -114.76 -46.3 4.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.192 -178.082 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 623' ' ' ILE . . . . . . . . . . . . . 70.5 mt -131.81 137.6 54.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.259 -179.525 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -111.76 125.45 54.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.233 175.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 625' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -62.06 135.84 57.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.213 178.064 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 626' ' ' GLY . . . . . . . . . . . . . . . 98.69 -18.17 57.29 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 176.004 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 627' ' ' THR . . . . . . . . . . . . . 44.2 p -90.63 165.47 13.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.826 0.346 . . . . 0.0 111.178 -178.209 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 628' ' ' ILE . . . . . . . . . . . . . 47.6 mm -95.72 110.45 24.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.197 -178.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 629' ' ' GLY . . . . . . . . . . . . . . . -135.38 136.41 8.48 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 176.244 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 630' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -119.39 38.66 3.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.775 0.322 . . . . 0.0 111.168 -175.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 631' ' ' LYS . . . . . 0.476 ' O ' ' NH2' ' A' ' 669' ' ' ARG . 99.4 mttt -125.68 127.96 47.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.186 -179.396 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 632' ' ' MET . . . . . . . . . . . . . 64.2 ttp -101.18 128.98 47.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.191 169.098 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 633' ' ' TYR . . . . . . . . . . . . . 78.8 m-85 -105.38 128.03 53.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.168 -172.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 634' ' ' PHE . . . . . . . . . . . . . 85.5 t80 -100.56 130.76 46.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.21 172.575 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 635' ' ' ILE . . . . . . . . . . . . . 68.7 mt -85.33 110.91 20.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.236 -174.108 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 -79.15 -39.89 32.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.209 176.349 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 637' ' ' HIS . . . . . . . . . . . . . 32.7 p80 -168.41 151.69 5.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.177 175.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 638' ' ' GLY . . . . . . . . . . . . . . . 104.06 175.65 25.51 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 -177.656 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 639' ' ' VAL . . . . . . . . . . . . . 92.7 t -122.68 133.25 69.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.79 0.328 . . . . 0.0 111.231 -174.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 640' ' ' VAL . . . . . . . . . . . . . 33.1 m -124.55 158.88 31.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.256 175.047 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 641' ' ' SER . . . . . . . . . . . . . 33.8 t -113.65 124.98 53.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.169 177.707 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 642' ' ' VAL . . . . . . . . . . . . . 81.5 t -112.71 119.69 61.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.186 -177.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 643' ' ' LEU . . . . . . . . . . . . . 66.6 tp -112.73 110.92 21.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.18 178.173 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 644' ' ' THR . . . . . . . . . . . . . 18.4 p -105.3 164.81 11.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.148 -172.746 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -52.22 157.18 1.45 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.177 167.366 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 646' ' ' GLY . . . . . . . . . . . . . . . 84.97 5.41 86.14 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 -171.151 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 647' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 59.91 50.02 7.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.766 0.317 . . . . 0.0 111.187 -179.242 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 648' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -115.74 115.62 26.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.2 -176.041 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 649' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -111.74 115.63 29.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.233 -177.082 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 650' ' ' THR . . . . . . . . . . . . . 72.6 p -130.0 166.05 20.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.19 179.335 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 651' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -122.48 144.24 49.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.205 176.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 85.9 mt -126.2 151.71 47.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.23 -178.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -140.31 -171.93 3.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.221 -176.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 654' ' ' ASP . . . . . . . . . . . . . 67.6 t0 -42.23 122.37 2.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.181 -179.445 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 655' ' ' GLY . . . . . . . . . . . . . . . 108.03 -16.55 35.94 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 173.61 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 656' ' ' SER . . . . . . . . . . . . . 70.5 m -97.2 174.36 6.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.783 0.325 . . . . 0.0 111.222 178.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 657' ' ' TYR . . . . . . . . . . . . . 51.9 p90 -151.52 165.04 35.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.232 178.547 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 658' ' ' PHE . . . . . . . . . . . . . 53.7 p90 -154.44 170.0 22.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.235 -178.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 659' ' ' GLY . . . . . 0.437 ' O ' ' SG ' ' A' ' 662' ' ' CYS . . . 88.98 14.27 61.01 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 -179.501 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 660' ' ' GLU . . . . . . . . . . . . . 24.8 pm0 -69.42 -10.1 56.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.782 0.325 . . . . 0.0 111.173 -179.269 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 661' ' ' ILE . . . . . . . . . . . . . 11.2 tp -58.96 -23.25 23.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.212 174.595 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 662' ' ' CYS . . . . . 0.437 ' SG ' ' O ' ' A' ' 659' ' ' GLY . 28.2 p -65.1 -19.98 66.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.174 178.212 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 663' ' ' LEU . . . . . . . . . . . . . 70.5 mt -93.02 -7.17 46.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.241 179.113 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 81.1 mt -109.94 -29.19 8.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.206 -174.719 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 665' ' ' THR . . . . . . . . . . . . . 34.7 p -115.39 -179.76 3.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.196 -179.339 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 666' ' ' ARG . . . . . . . . . . . . . 16.5 ptm180 -69.04 -10.18 56.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.223 175.231 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 139.19 -15.25 3.25 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 -177.095 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 63.7 ttm-85 -60.1 119.97 8.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.793 0.33 . . . . 0.0 111.234 177.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 669' ' ' ARG . . . . . 0.476 ' NH2' ' O ' ' A' ' 631' ' ' LYS . 23.4 mmt180 -79.99 127.49 32.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.171 179.642 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 670' ' ' THR . . . . . . . . . . . . . 76.3 p -101.3 22.71 12.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.201 179.511 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 671' ' ' ALA . . . . . . . . . . . . . . . -156.55 151.39 26.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.138 -178.505 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 672' ' ' SER . . . . . . . . . . . . . 57.9 m -110.92 132.2 54.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.203 170.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 673' ' ' VAL . . . . . . . . . . . . . 59.5 t -125.88 131.15 72.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.194 -173.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 674' ' ' ARG . . . . . . . . . . . . . 59.7 ttp180 -134.57 138.04 44.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.253 177.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 675' ' ' ALA . . . . . . . . . . . . . . . -70.12 132.91 46.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.236 -178.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 676' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -92.85 -38.33 11.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.235 178.667 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 44.6 p -130.19 165.67 21.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.188 175.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 678' ' ' TYR . . . . . . . . . . . . . 79.3 t80 -55.51 118.28 4.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.171 174.531 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 679' ' ' CYS . . . . . 0.631 ' SG ' ' HB2' ' A' ' 616' ' ' PHE . 31.5 p -142.37 164.71 29.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.192 -167.429 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 680' ' ' ARG . . . . . . . . . . . . . 41.7 ttm180 -132.51 130.15 40.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.211 175.335 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 681' ' ' LEU . . . . . . . . . . . . . 62.5 mt -117.22 149.94 39.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.241 -175.574 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 682' ' ' TYR . . . . . . . . . . . . . 15.3 m-30 -100.07 128.84 46.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.187 171.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 683' ' ' SER . . . . . . . . . . . . . 35.2 t -94.56 111.03 22.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.217 -172.079 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 684' ' ' LEU . . . . . . . . . . . . . 60.2 tp -116.04 102.04 9.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.2 174.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 83.2 p -86.53 164.21 17.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.192 -172.395 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 686' ' ' VAL . . . . . . . . . . . . . 75.2 t -61.53 -34.55 62.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.176 173.213 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 687' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -61.32 -40.05 92.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.194 173.513 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 688' ' ' ASN . . . . . . . . . . . . . 97.1 m-20 -69.47 -35.56 75.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.187 178.157 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 689' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -55.11 -51.59 65.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.201 168.664 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 690' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -59.59 -39.97 85.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.213 178.03 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 691' ' ' GLU . . . . . . . . . . . . . 53.5 tp10 -63.35 -60.06 3.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.234 -174.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 692' ' ' VAL . . . . . . . . . . . . . 9.5 p -62.58 -31.44 52.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.174 -175.037 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 693' ' ' LEU . . . . . . . . . . . . . 94.9 mt -78.97 -33.07 45.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.2 179.725 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 694' ' ' GLU . . . . . 0.409 ' HA ' ' HE ' ' A' ' 700' ' ' ARG . 88.8 tt0 -70.0 -33.82 72.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.179 177.405 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 695' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -56.81 -39.39 74.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.255 178.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 696' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -108.1 106.53 58.78 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.191 175.181 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 697' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -54.01 -31.72 65.31 Favored 'Trans proline' 0 N--CA 1.458 -0.599 0 C-N-CA 121.734 1.622 . . . . 0.0 111.192 -174.736 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 698' ' ' MET . . . . . . . . . . . . . 99.7 mmm -66.88 -29.62 69.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.243 -178.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 699' ' ' MET . . . . . . . . . . . . . 98.9 mmm -100.14 -14.4 18.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.196 -178.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 700' ' ' ARG . . . . . 0.409 ' HE ' ' HA ' ' A' ' 694' ' ' GLU . 40.4 ttm180 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.214 178.001 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 586' ' ' CYS . . . . . . . . . . . . . 71.2 m . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.782 0.325 . . . . 0.0 111.234 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 587' ' ' ARG . . . . . . . . . . . . . 42.8 ttm180 -59.84 -36.09 76.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.179 176.452 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 588' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -56.79 -47.97 78.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.207 173.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 95.9 mt -62.62 -41.95 99.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.189 -178.338 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 590' ' ' VAL . . . . . . . . . . . . . 53.8 t -62.81 -50.09 81.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.209 177.307 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 591' ' ' ALA . . . . . . . . . . . . . . . -64.89 -33.81 76.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.249 -176.2 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 60.1 p -67.9 -21.71 65.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.238 -176.652 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 593' ' ' MET . . . . . . . . . . . . . 11.9 tpt -60.15 118.09 29.9 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.214 -178.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_exo -55.64 -41.92 72.84 Favored 'Trans proline' 0 N--CA 1.458 -0.568 0 C-N-CA 121.69 1.593 . . . . 0.0 111.17 -175.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 595' ' ' LEU . . . . . . . . . . . . . 95.6 mt -74.23 -20.44 60.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.243 -172.617 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 596' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -129.96 24.94 5.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.217 -177.063 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 597' ' ' ALA . . . . . . . . . . . . . . . -66.25 -25.51 66.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.206 177.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 598' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -110.02 20.06 18.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.16 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 599' ' ' ALA . . . . . . . . . . . . . . . -66.51 149.83 49.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.172 178.654 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 600' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -62.01 150.08 84.35 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.215 179.604 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 601' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_exo -51.37 -35.8 55.56 Favored 'Trans proline' 0 N--CA 1.457 -0.625 0 C-N-CA 121.71 1.606 . . . . 0.0 111.245 175.555 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 602' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -66.1 -44.81 83.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.188 177.456 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 603' ' ' PHE . . . . . . . . . . . . . 11.3 m-30 -55.48 -47.71 75.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.183 175.034 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 604' ' ' VAL . . . . . . . . . . . . . 65.8 t -55.45 -51.76 53.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.21 179.646 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 605' ' ' THR . . . . . . . . . . . . . 96.4 m -56.09 -48.73 75.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.218 178.078 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 606' ' ' SER . . . . . . . . . . . . . 73.9 m -56.85 -43.13 80.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.162 -178.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 98.0 mtp -60.89 -47.01 88.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.16 175.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 608' ' ' LEU . . . . . . . . . . . . . 93.0 mt -58.15 -34.36 70.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.224 -177.573 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 609' ' ' THR . . . . . . . . . . . . . 71.0 p -85.0 -4.8 59.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.229 -178.21 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 610' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -110.16 -12.72 14.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.215 178.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 611' ' ' LEU . . . . . 0.467 HD21 ' HB2' ' A' ' 684' ' ' LEU . 60.0 mt -58.75 141.81 51.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.175 175.482 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 612' ' ' ARG . . . . . . . . . . . . . 52.9 ttt85 -116.07 120.02 37.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.229 175.142 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 613' ' ' PHE . . . . . . . . . . . . . 49.9 t80 -79.45 120.03 23.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.221 -177.441 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -133.51 132.07 40.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.21 177.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 615' ' ' VAL . . . . . . . . . . . . . 99.3 t -101.6 139.9 21.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.209 178.371 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 616' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -127.81 140.05 52.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.219 -178.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 617' ' ' GLN . . . . . . . . . . . . . 62.3 mt-30 -99.97 160.8 26.23 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.202 179.016 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 618' ' ' PRO . . . . . . . . . . . . . 80.4 Cg_exo -50.02 125.81 15.56 Favored 'Trans proline' 0 N--CA 1.458 -0.615 0 C-N-CA 121.688 1.592 . . . . 0.0 111.211 176.368 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 619' ' ' GLY . . . . . . . . . . . . . . . 100.4 -19.12 54.01 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 176.62 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 620' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -69.59 139.5 53.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.745 0.307 . . . . 0.0 111.201 -178.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 621' ' ' TYR . . . . . . . . . . . . . 57.3 m-85 -98.92 140.08 33.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.225 177.366 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 622' ' ' ILE . . . . . . . . . . . . . 4.2 mp -93.54 -39.98 11.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.195 172.664 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 623' ' ' ILE . . . . . . . . . . . . . 19.5 tt -151.59 149.47 13.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.192 172.7 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 96.8 mtt-85 -112.63 154.52 25.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.213 -179.458 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 625' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -59.92 119.61 8.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.172 177.727 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 626' ' ' GLY . . . . . . . . . . . . . . . 100.33 -5.96 57.61 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 -179.676 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 627' ' ' THR . . . . . . . . . . . . . 91.6 m -85.2 138.86 32.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.809 0.338 . . . . 0.0 111.2 177.182 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 628' ' ' ILE . . . . . . . . . . . . . 97.3 mt -72.28 119.73 19.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.215 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 629' ' ' GLY . . . . . . . . . . . . . . . -111.23 156.86 15.31 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 177.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 630' ' ' LYS . . . . . . . . . . . . . 63.7 pttt -161.75 20.26 0.11 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.789 0.328 . . . . 0.0 111.235 179.156 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 631' ' ' LYS . . . . . 0.4 ' HG2' ' HA ' ' A' ' 685' ' ' SER . 96.4 mttt -135.05 154.79 51.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.19 -177.758 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 632' ' ' MET . . . . . . . . . . . . . 60.2 mtp -108.07 140.19 41.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.196 172.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 633' ' ' TYR . . . . . . . . . . . . . 77.2 m-85 -117.58 121.93 42.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.196 -177.437 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 634' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -103.43 131.05 50.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.196 176.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 635' ' ' ILE . . . . . . . . . . . . . 77.3 mt -92.74 105.06 16.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.222 -173.717 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 25.1 tm0? -75.35 -30.12 60.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.2 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 637' ' ' HIS . . . . . . . . . . . . . 81.9 t60 -170.06 140.11 1.93 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.245 179.218 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 638' ' ' GLY . . . . . . . . . . . . . . . 113.49 174.4 18.89 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 177.03 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 639' ' ' VAL . . . . . . . . . . . . . 95.2 t -113.08 132.0 63.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.775 0.321 . . . . 0.0 111.151 -177.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 640' ' ' VAL . . . . . . . . . . . . . 96.6 t -131.99 134.24 60.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.194 179.472 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 641' ' ' SER . . . . . . . . . . . . . 58.8 m -97.3 131.4 44.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.185 179.57 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 642' ' ' VAL . . . . . . . . . . . . . 89.0 t -116.0 106.13 19.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.218 176.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 643' ' ' LEU . . . . . . . . . . . . . 68.4 tp -98.22 112.27 24.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.183 -179.192 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 644' ' ' THR . . . . . 0.409 ' HB ' ' HB2' ' A' ' 647' ' ' ASN . 97.9 m -98.12 138.12 35.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.244 -177.706 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 89.0 tttt -55.55 119.82 6.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.193 -176.082 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 646' ' ' GLY . . . . . . . . . . . . . . . 74.93 15.11 81.14 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 173.397 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 647' ' ' ASN . . . . . 0.409 ' HB2' ' HB ' ' A' ' 644' ' ' THR . 65.6 m-80 -135.09 159.93 39.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.847 0.356 . . . . 0.0 111.171 -177.798 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 648' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -65.46 137.83 57.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.161 179.479 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 649' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -64.69 132.48 49.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.203 178.365 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 650' ' ' THR . . . . . . . . . . . . . 99.7 m -101.34 129.2 47.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.15 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 651' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -93.72 119.96 33.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.18 178.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 77.4 mt -112.13 149.66 31.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.196 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -138.57 -168.49 2.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.161 -175.46 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 654' ' ' ASP . . . . . . . . . . . . . 63.1 t0 -53.85 118.06 3.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.235 177.151 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 655' ' ' GLY . . . . . . . . . . . . . . . 104.17 -4.8 45.01 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 179.045 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 656' ' ' SER . . . . . . . . . . . . . 50.3 m -93.27 174.26 7.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.823 0.344 . . . . 0.0 111.196 178.422 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 657' ' ' TYR . . . . . . . . . . . . . 37.5 p90 -155.63 166.88 32.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.214 177.352 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 658' ' ' PHE . . . . . . . . . . . . . 51.8 p90 -155.1 175.1 14.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.19 176.506 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 659' ' ' GLY . . . . . 0.526 ' O ' ' HB2' ' A' ' 662' ' ' CYS . . . 93.5 4.17 64.24 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 111.244 -0.743 . . . . 0.0 111.244 -179.033 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 660' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -57.64 -32.14 66.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.804 0.335 . . . . 0.0 111.233 179.686 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 661' ' ' ILE . . . . . . . . . . . . . 11.0 tp -59.91 -27.31 38.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.195 178.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 662' ' ' CYS . . . . . 0.526 ' HB2' ' O ' ' A' ' 659' ' ' GLY . 99.8 m -75.24 -37.11 61.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.184 178.763 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 663' ' ' LEU . . . . . . . . . . . . . 55.0 tp -62.52 -39.76 94.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.174 173.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 66.3 tp -60.84 -58.76 7.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.195 173.221 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 665' ' ' THR . . . . . . . . . . . . . 86.4 m -146.95 119.55 8.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.202 176.671 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 666' ' ' ARG . . . . . 0.533 ' HD3' ' HB ' ' A' ' 686' ' ' VAL . 91.3 mtm180 -72.75 154.72 40.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.217 179.372 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 133.97 -163.96 24.48 Favored Glycine 0 CA--C 1.523 0.546 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 179.425 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 88.8 mtm180 -63.74 121.58 14.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.801 0.334 . . . . 0.0 111.146 -176.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 78.2 ttt180 -94.2 130.68 40.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.214 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 670' ' ' THR . . . . . . . . . . . . . 33.6 p -87.69 57.54 4.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.244 -179.537 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 671' ' ' ALA . . . . . . . . . . . . . . . -161.42 149.62 15.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.155 -178.354 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 672' ' ' SER . . . . . . . . . . . . . 71.3 m -117.91 131.32 56.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.213 175.721 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 673' ' ' VAL . . . . . . . . . . . . . 67.1 t -119.86 123.07 70.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.187 -175.645 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 674' ' ' ARG . . . . . . . . . . . . . 60.9 ttp180 -130.94 131.36 44.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.205 -174.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 675' ' ' ALA . . . . . 0.427 ' HB2' ' SG ' ' A' ' 679' ' ' CYS . . . -72.71 142.87 48.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.224 177.402 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 676' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -106.31 -33.96 7.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.181 -178.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 677' ' ' THR . . . . . 0.525 ' O ' ' SG ' ' A' ' 679' ' ' CYS . 31.7 p -124.96 -177.19 3.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.221 179.768 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 678' ' ' TYR . . . . . . . . . . . . . 81.2 t80 -59.95 99.99 0.08 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.176 169.433 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 679' ' ' CYS . . . . . 0.525 ' SG ' ' O ' ' A' ' 677' ' ' THR . 82.7 m -107.66 137.34 45.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.144 -169.26 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 680' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -115.27 107.26 15.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.228 173.401 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 681' ' ' LEU . . . . . . . . . . . . . 8.1 mp -111.45 150.22 30.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.173 -173.562 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 682' ' ' TYR . . . . . . . . . . . . . 87.5 m-85 -117.89 119.06 33.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.206 171.071 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 683' ' ' SER . . . . . . . . . . . . . 40.5 t -94.26 140.12 30.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.184 -176.638 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 684' ' ' LEU . . . . . 0.467 ' HB2' HD21 ' A' ' 611' ' ' LEU . 39.7 tp -139.49 120.7 14.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.229 173.551 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 685' ' ' SER . . . . . 0.4 ' HA ' ' HG2' ' A' ' 631' ' ' LYS . 59.7 p -73.73 155.4 38.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.196 -172.848 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 686' ' ' VAL . . . . . 0.533 ' HB ' ' HD3' ' A' ' 666' ' ' ARG . 66.9 t -60.51 -36.76 71.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.218 174.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 687' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -56.77 -43.94 81.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.209 173.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 688' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -66.63 -40.06 88.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.188 178.53 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 689' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -54.92 -43.93 73.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.245 174.044 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 690' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -64.46 -44.58 90.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.164 178.419 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 691' ' ' GLU . . . . . . . . . . . . . 64.4 mt-10 -56.91 -41.63 78.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.193 179.487 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 692' ' ' VAL . . . . . . . . . . . . . 69.0 t -70.19 -54.93 16.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.182 -179.632 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 693' ' ' LEU . . . . . . . . . . . . . 43.7 tp -63.73 -35.37 80.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.197 -172.36 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 694' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -85.86 -6.68 59.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.193 -177.266 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 695' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -56.74 -41.84 78.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.178 179.519 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 696' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -110.01 107.54 58.87 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.174 173.522 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 697' ' ' PRO . . . . . . . . . . . . . 79.3 Cg_exo -54.88 -34.84 87.22 Favored 'Trans proline' 0 N--CA 1.459 -0.549 0 C-N-CA 121.71 1.607 . . . . 0.0 111.174 -174.291 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 698' ' ' MET . . . . . . . . . . . . . 99.9 mmm -63.07 -29.63 70.96 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.15 -178.155 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 699' ' ' MET . . . . . . . . . . . . . 97.8 mmm -100.05 -2.67 33.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.188 -179.437 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 700' ' ' ARG . . . . . . . . . . . . . 78.6 ttt-85 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.19 -179.329 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 577' ' ' ASN . . . . . . . . . . . . . 96.9 m-20 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.789 0.328 . . . . 0.0 111.208 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 578' ' ' SER . . . . . . . . . . . . . 75.6 m -91.32 149.93 21.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.221 179.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 579' ' ' GLU . . . . . 0.513 ' HG2' ' HD3' ' A' ' 612' ' ' ARG . 92.7 mt-10 -137.07 49.99 2.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.211 -178.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 580' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -78.19 163.12 26.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.213 -178.035 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 581' ' ' ILE . . . . . . . . . . . . . 49.7 pt -66.8 159.21 4.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.194 175.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 47.9 pt -107.02 158.93 6.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.217 -173.619 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 583' ' ' ASN . . . . . 0.585 ' O ' ' SG ' ' A' ' 586' ' ' CYS . 75.6 m-20 -76.2 172.7 12.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.211 175.621 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 584' ' ' PHE . . . . . . . . . . . . . 77.2 m-85 -80.65 160.39 25.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.19 178.252 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 585' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 60.0 48.86 8.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.184 177.272 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 586' ' ' CYS . . . . . 0.585 ' SG ' ' O ' ' A' ' 583' ' ' ASN . 74.3 m -100.46 -4.45 28.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.212 175.517 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 587' ' ' ARG . . . . . . . . . . . . . 63.8 ttm-85 -56.84 -46.61 81.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.199 179.094 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 588' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -64.88 -32.86 74.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.175 -179.316 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 93.6 mt -67.36 -45.07 77.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.184 179.317 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 590' ' ' VAL . . . . . . . . . . . . . 62.2 t -64.18 -42.27 94.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.173 175.505 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 591' ' ' ALA . . . . . . . . . . . . . . . -75.96 -1.0 23.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.191 -176.328 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 74.0 m -60.4 -29.23 68.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.208 174.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 593' ' ' MET . . . . . . . . . . . . . 27.5 ttt -77.75 130.63 72.88 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.183 175.408 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_exo -52.44 -42.75 59.22 Favored 'Trans proline' 0 N--CA 1.458 -0.573 0 C-N-CA 121.689 1.592 . . . . 0.0 111.197 -178.139 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 595' ' ' LEU . . . . . . . . . . . . . 65.3 tp -60.79 -47.45 86.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.213 179.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 596' ' ' PHE . . . . . . . . . . . . . 11.5 m-30 -74.0 -21.57 59.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.218 -176.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 597' ' ' ALA . . . . . . . . . . . . . . . -71.88 -39.94 69.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.153 171.521 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 598' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -68.28 -32.35 72.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.23 175.009 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 599' ' ' ALA . . . . . . . . . . . . . . . -61.45 146.63 47.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.157 174.448 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 600' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -72.09 153.54 92.59 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.17 -176.295 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 601' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_exo -53.06 -29.4 44.8 Favored 'Trans proline' 0 N--CA 1.458 -0.595 0 C-N-CA 121.708 1.606 . . . . 0.0 111.223 179.532 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 602' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -64.67 -35.61 81.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.196 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 603' ' ' PHE . . . . . . . . . . . . . 80.4 m-85 -80.78 -37.65 29.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.199 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 604' ' ' VAL . . . . . . . . . . . . . 75.1 t -62.22 -44.31 98.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.187 177.064 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 605' ' ' THR . . . . . . . . . . . . . 97.0 m -54.79 -47.23 74.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.197 174.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 606' ' ' SER . . . . . . . . . . . . . 74.1 m -59.5 -42.2 91.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.204 178.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 65.9 mtt -57.99 -42.37 84.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.211 175.16 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 608' ' ' LEU . . . . . . . . . . . . . 91.7 mt -62.91 -41.64 99.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.253 -179.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 609' ' ' THR . . . . . . . . . . . . . 66.9 p -73.82 -22.24 59.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.197 -178.18 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 610' ' ' LYS . . . . . . . . . . . . . 65.4 mttm -99.65 3.35 45.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.261 174.048 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 611' ' ' LEU . . . . . . . . . . . . . 25.8 tp -70.09 127.19 31.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.221 -174.151 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 612' ' ' ARG . . . . . 0.513 ' HD3' ' HG2' ' A' ' 579' ' ' GLU . 99.2 mtt180 -100.81 124.14 46.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.205 -179.501 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 613' ' ' PHE . . . . . . . . . . . . . 18.4 t80 -90.33 120.39 31.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.208 179.46 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -121.3 131.55 54.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.249 -176.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 615' ' ' VAL . . . . . . . . . . . . . 97.0 t -102.44 141.39 18.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.193 177.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 616' ' ' PHE . . . . . 0.48 ' HB2' ' SG ' ' A' ' 679' ' ' CYS . 98.0 m-85 -136.89 146.11 45.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.238 -177.55 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 617' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -111.08 164.72 14.24 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.187 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 618' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_exo -51.72 127.5 23.06 Favored 'Trans proline' 0 N--CA 1.458 -0.583 0 C-N-CA 121.694 1.596 . . . . 0.0 111.212 179.337 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 619' ' ' GLY . . . . . . . . . . . . . . . 98.4 -17.63 58.22 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 175.6 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 620' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -70.34 138.39 51.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.779 0.323 . . . . 0.0 111.207 -177.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 621' ' ' TYR . . . . . . . . . . . . . 60.8 m-85 -91.79 139.27 30.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.188 173.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 622' ' ' ILE . . . . . . . . . . . . . 5.2 mp -103.08 -45.67 10.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.181 178.686 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 623' ' ' ILE . . . . . . . . . . . . . 93.7 mt -135.93 137.22 49.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.176 172.459 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 96.7 mtt-85 -110.05 149.05 30.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.202 -178.102 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 625' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -70.43 133.29 46.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.156 178.207 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 626' ' ' GLY . . . . . . . . . . . . . . . 96.82 6.03 58.33 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.169 -0.773 . . . . 0.0 111.169 178.218 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 627' ' ' THR . . . . . . . . . . . . . 44.7 p -107.73 152.48 24.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.794 0.33 . . . . 0.0 111.197 176.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 628' ' ' ILE . . . . . . . . . . . . . 46.8 mm -63.29 118.23 5.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.237 -177.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 629' ' ' GLY . . . . . . . . . . . . . . . -93.21 137.87 13.83 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 179.709 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 630' ' ' LYS . . . . . . . . . . . . . 64.1 pttt -171.47 26.77 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.82 0.343 . . . . 0.0 111.21 -179.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 631' ' ' LYS . . . . . . . . . . . . . 57.5 pttt -148.99 160.16 43.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.215 -176.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 632' ' ' MET . . . . . . . . . . . . . 38.7 ttm -136.74 144.75 43.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.218 179.186 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 633' ' ' TYR . . . . . . . . . . . . . 81.4 m-85 -118.97 129.45 55.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.194 -176.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 634' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -104.0 134.56 47.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.254 172.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 635' ' ' ILE . . . . . . . . . . . . . 75.4 mt -89.94 110.01 21.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.233 -169.268 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 67.8 tp60 -69.5 -49.9 50.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.194 172.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 637' ' ' HIS . . . . . . . . . . . . . 30.4 p80 -162.36 161.74 27.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.225 176.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 638' ' ' GLY . . . . . . . . . . . . . . . 100.67 175.07 29.6 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 111.237 -0.745 . . . . 0.0 111.237 178.615 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 639' ' ' VAL . . . . . . . . . . . . . 92.1 t -119.34 129.25 75.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.825 0.345 . . . . 0.0 111.2 -176.298 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 640' ' ' VAL . . . . . . . . . . . . . 34.3 m -122.94 159.86 26.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.228 176.286 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 641' ' ' SER . . . . . . . . . . . . . 41.3 t -122.6 123.93 42.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.203 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 642' ' ' VAL . . . . . . . . . . . . . 70.4 t -107.34 126.77 63.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.184 179.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 643' ' ' LEU . . . . . . . . . . . . . 67.2 tp -120.81 119.63 33.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.198 179.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 644' ' ' THR . . . . . 0.465 ' HB ' ' HB2' ' A' ' 647' ' ' ASN . 96.4 m -107.32 139.14 42.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.199 -177.774 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -54.55 118.95 4.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.21 -175.406 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 646' ' ' GLY . . . . . . . . . . . . . . . 74.78 15.62 80.71 Favored Glycine 0 CA--C 1.523 0.537 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 172.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 647' ' ' ASN . . . . . 0.465 ' HB2' ' HB ' ' A' ' 644' ' ' THR . 61.0 m-80 -131.63 158.13 41.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.807 0.337 . . . . 0.0 111.225 -177.515 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 648' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -64.76 137.89 58.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.228 -178.226 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 649' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -68.95 138.9 54.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.19 178.201 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 650' ' ' THR . . . . . . . . . . . . . 94.2 m -130.85 137.29 49.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.204 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 651' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -108.18 147.73 30.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.185 -177.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 81.1 mt -131.38 155.66 46.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.224 -176.522 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -139.33 -167.89 2.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.235 -174.259 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 654' ' ' ASP . . . . . . . . . . . . . 64.5 t0 -51.9 124.14 11.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.193 -178.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 655' ' ' GLY . . . . . . . . . . . . . . . 102.24 -9.96 56.42 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.201 -0.759 . . . . 0.0 111.201 175.171 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 656' ' ' SER . . . . . . . . . . . . . 69.2 m -98.09 179.96 4.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.778 0.323 . . . . 0.0 111.223 176.373 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 657' ' ' TYR . . . . . . . . . . . . . 47.2 p90 -157.56 164.14 37.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.188 178.013 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 658' ' ' PHE . . . . . 0.457 ' CE1' HG11 ' A' ' 673' ' ' VAL . 52.8 p90 -146.89 161.08 41.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.202 179.581 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 659' ' ' GLY . . . . . 0.406 ' O ' ' HB3' ' A' ' 662' ' ' CYS . . . 120.61 7.75 8.71 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 -176.486 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 660' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -61.0 -46.5 90.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.828 0.347 . . . . 0.0 111.21 175.204 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 661' ' ' ILE . . . . . 0.424 HG22 ' HG3' ' A' ' 669' ' ' ARG . 97.0 mt -68.59 -35.77 71.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.241 174.22 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 662' ' ' CYS . . . . . 0.441 ' HA ' ' HD2' ' A' ' 669' ' ' ARG . 36.5 t -57.73 -46.22 84.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.217 178.557 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 663' ' ' LEU . . . . . 0.481 ' O ' ' OXT' ' A' ' 707' ' ' ALA . 94.3 mt -74.67 -39.59 61.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.197 178.255 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 67.3 tp -54.58 -48.09 72.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.197 179.417 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 665' ' ' THR . . . . . . . . . . . . . 93.2 m -91.17 107.63 19.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.197 178.422 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 666' ' ' ARG . . . . . 0.532 ' NH2' ' O ' ' A' ' 706' ' ' VAL . 99.4 mtt180 -71.38 -22.63 61.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.211 -175.624 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . -91.22 -136.98 7.14 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 176.519 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 90.0 mtm180 -79.64 127.31 32.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.815 0.341 . . . . 0.0 111.196 -178.22 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 669' ' ' ARG . . . . . 0.441 ' HD2' ' HA ' ' A' ' 662' ' ' CYS . 76.6 ttt180 -71.96 142.56 49.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.186 -178.02 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 670' ' ' THR . . . . . . . . . . . . . 40.5 p -98.82 39.77 1.24 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.19 178.14 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 671' ' ' ALA . . . . . . . . . . . . . . . -158.54 161.44 37.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.169 -179.012 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 672' ' ' SER . . . . . . . . . . . . . 92.1 p -137.65 165.5 26.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.166 178.131 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 673' ' ' VAL . . . . . 0.457 HG11 ' CE1' ' A' ' 658' ' ' PHE . 4.4 p -151.47 138.79 13.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.211 -179.561 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 674' ' ' ARG . . . . . . . . . . . . . 38.1 ptt180 -141.9 158.54 43.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.19 179.673 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 675' ' ' ALA . . . . . . . . . . . . . . . -84.82 130.8 34.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.196 -175.349 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 676' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -90.61 -33.12 15.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.221 174.319 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 44.2 p -133.14 165.3 25.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.215 172.133 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 678' ' ' TYR . . . . . . . . . . . . . 87.7 t80 -53.06 123.77 12.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.202 177.355 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 679' ' ' CYS . . . . . 0.48 ' SG ' ' HB2' ' A' ' 616' ' ' PHE . 31.8 p -143.93 164.37 30.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.17 -170.592 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 680' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -140.15 133.22 29.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.203 177.328 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 681' ' ' LEU . . . . . . . . . . . . . 59.9 mt -123.58 155.56 37.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.229 -167.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 682' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -106.65 125.39 50.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.214 171.159 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 683' ' ' SER . . . . . . . . . . . . . 42.1 t -107.3 121.59 44.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.215 -169.594 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 684' ' ' LEU . . . . . . . . . . . . . 95.6 mt -115.55 149.79 37.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.222 165.459 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 78.1 p -127.25 160.29 31.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.21 -177.678 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 686' ' ' VAL . . . . . . . . . . . . . 57.6 t -66.33 -36.53 77.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.186 173.578 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 687' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -55.42 -38.88 69.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.211 174.393 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 688' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 -67.95 -38.12 82.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.186 173.528 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 689' ' ' PHE . . . . . . . . . . . . . 20.0 m-30 -69.19 -23.07 63.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.21 -178.382 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 690' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -69.29 -15.08 63.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.183 173.341 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 691' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -103.64 -29.69 10.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.184 173.578 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 692' ' ' VAL . . . . . . . . . . . . . 93.4 t -86.48 -69.73 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.191 179.638 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 693' ' ' LEU . . . . . . . . . . . . . 95.3 mt -77.29 -21.09 54.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.196 -168.659 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 694' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -96.08 20.39 10.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.201 172.612 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 695' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -72.65 -40.03 66.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.197 175.262 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 696' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -122.34 139.49 30.83 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.211 -179.572 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 697' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_exo -53.48 -33.6 68.28 Favored 'Trans proline' 0 N--CA 1.458 -0.581 0 C-N-CA 121.638 1.559 . . . . 0.0 111.197 178.487 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 698' ' ' MET . . . . . . . . . . . . . 99.8 mmm -59.96 -31.46 69.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.197 -177.621 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 699' ' ' MET . . . . . . . . . . . . . 63.2 tpp -99.97 -20.03 16.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.193 -179.558 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 700' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -60.81 -41.35 95.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.187 171.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -59.99 -36.91 78.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.194 179.525 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 702' ' ' ALA . . . . . . . . . . . . . . . -76.96 -39.74 49.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.208 176.404 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 703' ' ' PHE . . . . . . . . . . . . . 54.4 t80 -61.05 -34.32 74.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.221 -177.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 704' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -59.19 -30.19 68.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.209 176.322 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 705' ' ' THR . . . . . . . . . . . . . 94.8 m -82.05 -40.35 22.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.215 177.305 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 706' ' ' VAL . . . . . 0.532 ' O ' ' NH2' ' A' ' 666' ' ' ARG . 72.9 t -58.05 130.15 20.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.169 177.079 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 707' ' ' ALA . . . . . 0.481 ' OXT' ' O ' ' A' ' 663' ' ' LEU . . . . . . . . 0 C--O 1.2 -1.511 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.183 177.641 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 577' ' ' ASN . . . . . . . . . . . . . 72.9 m-80 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.727 0.299 . . . . 0.0 111.143 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 578' ' ' SER . . . . . . . . . . . . . 68.7 m -67.93 145.95 54.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.183 179.345 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -126.26 63.31 1.25 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.17 178.434 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 580' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -80.28 157.71 26.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.21 -172.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 581' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.88 140.01 20.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.2 178.022 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 49.3 pt -59.96 153.38 4.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.237 -176.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 583' ' ' ASN . . . . . 0.423 ' O ' ' HB2' ' A' ' 586' ' ' CYS . 96.1 m-20 -88.14 159.97 17.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.237 -178.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 584' ' ' PHE . . . . . . . . . . . . . 92.3 t80 -56.06 139.3 47.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.225 178.027 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 585' ' ' ASN . . . . . . . . . . . . . 29.0 t30 79.87 23.3 0.46 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.178 177.544 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 586' ' ' CYS . . . . . 0.423 ' HB2' ' O ' ' A' ' 583' ' ' ASN . 38.3 t -69.95 -31.77 69.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.209 178.223 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 587' ' ' ARG . . . . . . . . . . . . . 62.8 ttm-85 -51.62 -46.93 63.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.173 176.247 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 588' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -62.13 -41.76 98.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.204 177.554 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 95.9 mt -61.24 -36.76 80.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.196 -178.701 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 590' ' ' VAL . . . . . . . . . . . . . 79.3 t -67.97 -48.65 73.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.218 174.589 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 591' ' ' ALA . . . . . . . . . . . . . . . -60.06 -28.17 67.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.168 178.477 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 72.4 m -68.99 -25.56 64.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.194 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 593' ' ' MET . . . . . . . . . . . . . 55.1 ttm -67.68 120.08 70.77 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.219 178.541 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_exo -48.15 -44.01 29.61 Favored 'Trans proline' 0 N--CA 1.458 -0.611 0 C-N-CA 121.715 1.61 . . . . 0.0 111.205 177.443 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 595' ' ' LEU . . . . . . . . . . . . . 52.6 tp -52.97 -39.79 63.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.208 -178.205 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 596' ' ' PHE . . . . . . . . . . . . . 44.6 m-85 -117.92 26.89 9.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.226 -176.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 597' ' ' ALA . . . . . . . . . . . . . . . -61.07 -34.26 74.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.225 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 598' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -110.24 20.13 18.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.183 -178.487 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 599' ' ' ALA . . . . . . . . . . . . . . . -68.38 150.87 47.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.183 -177.386 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 600' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -64.54 135.0 96.18 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.241 178.204 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 601' ' ' PRO . . . . . . . . . . . . . 78.7 Cg_exo -50.54 -37.5 52.5 Favored 'Trans proline' 0 N--CA 1.458 -0.574 0 C-N-CA 121.706 1.604 . . . . 0.0 111.193 -179.204 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 602' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -73.19 -40.59 64.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.173 -179.034 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 603' ' ' PHE . . . . . . . . . . . . . 84.0 t80 -55.85 -45.9 78.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.206 173.658 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 604' ' ' VAL . . . . . . . . . . . . . 61.6 t -59.22 -49.98 81.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.202 177.536 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 605' ' ' THR . . . . . . . . . . . . . 99.5 m -49.93 -43.31 49.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.199 177.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 606' ' ' SER . . . . . . . . . . . . . 74.1 m -65.97 -47.35 74.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.2 178.144 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 91.2 mmm -57.7 -34.21 69.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.224 -178.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 608' ' ' LEU . . . . . . . . . . . . . 83.3 mt -60.75 -27.75 68.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.225 -177.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 609' ' ' THR . . . . . . . . . . . . . 69.1 p -88.93 -4.99 58.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.165 -179.539 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 610' ' ' LYS . . . . . 0.421 ' HB3' ' HB3' ' A' ' 688' ' ' ASN . 75.3 mmtt -106.73 -25.32 11.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.166 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 611' ' ' LEU . . . . . . . . . . . . . 89.8 mt -63.43 146.54 53.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.203 176.39 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 612' ' ' ARG . . . . . . . . . . . . . 91.3 mmt-85 -132.78 127.1 33.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.176 175.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 613' ' ' PHE . . . . . . . . . . . . . 80.2 t80 -84.0 136.57 34.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.189 -171.516 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -147.79 130.51 16.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.151 -178.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 615' ' ' VAL . . . . . 0.579 HG23 ' HG2' ' A' ' 680' ' ' ARG . 90.1 t -97.1 143.75 11.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.192 179.356 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 616' ' ' PHE . . . . . 0.598 ' HB2' ' SG ' ' A' ' 679' ' ' CYS . 87.2 m-85 -126.26 146.25 50.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.213 -177.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 617' ' ' GLN . . . . . . . . . . . . . 96.8 mm-40 -101.38 164.09 16.64 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.189 -175.392 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 618' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -52.46 121.75 9.59 Favored 'Trans proline' 0 N--CA 1.458 -0.569 0 C-N-CA 121.753 1.635 . . . . 0.0 111.172 175.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 619' ' ' GLY . . . . . . . . . . . . . . . 92.5 -11.34 72.33 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 176.001 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 620' ' ' ASP . . . . . . . . . . . . . 54.8 t0 -70.32 130.16 41.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.817 0.342 . . . . 0.0 111.147 -178.288 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 621' ' ' TYR . . . . . 0.466 ' CZ ' ' HD3' ' A' ' 674' ' ' ARG . 73.2 m-85 -82.18 142.5 32.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.201 179.31 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 622' ' ' ILE . . . . . . . . . . . . . 4.0 mp -109.47 -40.27 4.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.217 178.252 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 623' ' ' ILE . . . . . . . . . . . . . 83.4 mt -131.33 133.21 62.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.174 177.117 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -101.78 135.28 43.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.232 179.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 625' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -67.04 129.88 41.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.189 -179.638 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 626' ' ' GLY . . . . . . . . . . . . . . . 74.96 16.04 80.74 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.194 -0.763 . . . . 0.0 111.194 175.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 627' ' ' THR . . . . . . . . . . . . . 98.1 m -109.04 128.8 55.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.856 0.36 . . . . 0.0 111.171 178.52 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 628' ' ' ILE . . . . . . . . . . . . . 18.9 tt -64.95 147.62 12.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.202 -176.091 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 629' ' ' GLY . . . . . . . . . . . . . . . 141.87 108.63 0.71 Allowed Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.245 -0.742 . . . . 0.0 111.245 179.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 630' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -93.96 79.96 4.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.823 0.344 . . . . 0.0 111.223 -178.413 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 631' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -129.2 138.51 51.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.22 175.578 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 632' ' ' MET . . . . . . . . . . . . . 26.9 ptm -110.06 165.97 11.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.206 172.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 633' ' ' TYR . . . . . . . . . . . . . 83.9 m-85 -139.49 136.91 35.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.164 -175.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 634' ' ' PHE . . . . . . . . . . . . . 91.4 t80 -101.99 134.82 44.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.209 170.178 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 635' ' ' ILE . . . . . . . . . . . . . 68.1 mt -88.31 98.66 7.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.233 -177.637 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 23.5 tm0? -70.46 -35.21 73.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.181 179.128 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 637' ' ' HIS . . . . . . . . . . . . . 77.8 t60 -169.84 140.14 2.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.14 175.529 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 638' ' ' GLY . . . . . . . . . . . . . . . 123.72 -153.72 17.37 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.206 -0.758 . . . . 0.0 111.206 178.538 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 639' ' ' VAL . . . . . . . . . . . . . 7.1 p -158.07 130.86 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.856 0.36 . . . . 0.0 111.204 -179.135 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 640' ' ' VAL . . . . . . . . . . . . . 28.6 m -124.91 160.04 30.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.154 178.629 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 641' ' ' SER . . . . . . . . . . . . . 53.4 m -110.06 127.39 54.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.246 174.528 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 642' ' ' VAL . . . . . . . . . . . . . 61.8 t -109.61 111.25 35.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.2 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 643' ' ' LEU . . . . . . . . . . . . . 65.6 tp -103.51 120.1 40.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.183 -178.331 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 644' ' ' THR . . . . . 0.403 ' HB ' ' HB2' ' A' ' 647' ' ' ASN . 93.3 m -108.14 137.36 46.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.198 -177.618 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 89.3 tttt -56.15 120.85 8.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.21 -176.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 646' ' ' GLY . . . . . . . . . . . . . . . 74.43 15.09 80.48 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 172.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 647' ' ' ASN . . . . . 0.403 ' HB2' ' HB ' ' A' ' 644' ' ' THR . 65.0 m-80 -134.77 157.75 45.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.835 0.35 . . . . 0.0 111.179 -178.145 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 648' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -65.12 137.46 57.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.198 179.241 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 649' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -65.05 137.01 57.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.229 179.046 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 650' ' ' THR . . . . . . . . . . . . . 96.8 m -120.05 133.56 55.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.2 179.598 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 651' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -100.75 137.07 39.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.231 -177.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 78.6 mt -124.68 147.48 48.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.213 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -133.46 177.77 7.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.174 -172.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 654' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -38.42 120.04 0.87 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.167 176.292 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 655' ' ' GLY . . . . . . . . . . . . . . . 109.64 -13.41 32.65 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.206 -0.757 . . . . 0.0 111.206 175.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 656' ' ' SER . . . . . . . . . . . . . 69.4 m -99.83 177.83 5.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.776 0.322 . . . . 0.0 111.207 -179.274 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 657' ' ' TYR . . . . . . . . . . . . . 25.9 p90 -152.78 167.96 27.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.23 179.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 658' ' ' PHE . . . . . . . . . . . . . 46.5 p90 -156.74 168.36 27.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.24 178.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 659' ' ' GLY . . . . . 0.469 ' O ' ' HB3' ' A' ' 662' ' ' CYS . . . 98.6 -2.4 58.82 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 -178.243 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 660' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -55.23 -50.08 70.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.833 0.349 . . . . 0.0 111.202 176.226 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 661' ' ' ILE . . . . . 0.409 ' HB ' ' CZ ' ' A' ' 669' ' ' ARG . 91.6 mt -63.25 -38.2 81.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.276 178.035 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 662' ' ' CYS . . . . . 0.469 ' HB3' ' O ' ' A' ' 659' ' ' GLY . 49.8 t -56.61 -44.13 80.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.215 178.135 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 663' ' ' LEU . . . . . . . . . . . . . 6.0 mp -68.38 -39.39 81.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.183 178.334 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 87.6 mt -67.98 -36.41 79.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.182 -178.176 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 665' ' ' THR . . . . . . . . . . . . . 55.5 p -100.66 -165.21 1.19 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.216 -176.055 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 666' ' ' ARG . . . . . . . . . . . . . 37.3 ptt180 -63.53 163.84 10.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.184 172.194 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . -65.09 -33.84 88.17 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 -178.64 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 75.3 mtp180 -83.09 70.0 9.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.784 0.326 . . . . 0.0 111.203 -178.253 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 669' ' ' ARG . . . . . 0.409 ' CZ ' ' HB ' ' A' ' 661' ' ' ILE . 79.5 ttt180 -67.01 140.21 57.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.218 179.332 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 670' ' ' THR . . . . . . . . . . . . . 37.4 p -83.35 58.36 4.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.192 178.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 671' ' ' ALA . . . . . . . . . . . . . . . -162.28 154.78 19.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.196 -179.701 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 672' ' ' SER . . . . . . . . . . . . . 94.9 p -131.31 155.79 46.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.184 179.509 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 673' ' ' VAL . . . . . . . . . . . . . 52.7 t -134.86 131.12 53.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.226 -178.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 674' ' ' ARG . . . . . 0.466 ' HD3' ' CZ ' ' A' ' 621' ' ' TYR . 56.4 ttp180 -133.21 133.68 43.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.208 -179.015 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 675' ' ' ALA . . . . . . . . . . . . . . . -73.39 132.79 43.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.176 179.153 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 676' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -87.07 -17.37 33.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.156 -178.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 13.7 t -160.8 -171.93 3.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.175 176.117 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 678' ' ' TYR . . . . . . . . . . . . . 91.3 t80 -57.67 118.97 5.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.233 173.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 679' ' ' CYS . . . . . 0.598 ' SG ' ' HB2' ' A' ' 616' ' ' PHE . 31.4 p -144.61 162.0 37.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.192 -175.486 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 680' ' ' ARG . . . . . 0.579 ' HG2' HG23 ' A' ' 615' ' ' VAL . 99.2 mtt180 -130.77 116.86 18.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.197 -175.477 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 681' ' ' LEU . . . . . . . . . . . . . 58.7 mt -114.27 154.32 28.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.18 -173.693 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 682' ' ' TYR . . . . . . . . . . . . . 55.8 m-85 -107.18 120.09 41.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.213 167.059 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 683' ' ' SER . . . . . . . . . . . . . 37.8 t -86.7 138.06 31.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.201 -176.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 684' ' ' LEU . . . . . 0.412 HD13 ' C ' ' A' ' 684' ' ' LEU . 3.0 tm? -143.86 110.04 5.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.192 177.881 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 76.5 p -81.48 154.38 26.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.202 -178.025 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 686' ' ' VAL . . . . . . . . . . . . . 6.4 p -60.22 -30.67 46.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.205 175.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 687' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -66.35 -43.38 86.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.195 175.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 688' ' ' ASN . . . . . 0.421 ' HB3' ' HB3' ' A' ' 610' ' ' LYS . 91.8 m-20 -62.53 -39.97 95.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.191 176.122 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 689' ' ' PHE . . . . . 0.402 ' CE2' ' O ' ' A' ' 707' ' ' ALA . 89.3 t80 -60.37 -47.2 87.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.184 175.233 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 690' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -66.97 -34.34 77.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.199 -178.345 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 691' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -54.69 -46.61 74.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.221 178.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 692' ' ' VAL . . . . . . . . . . . . . 79.3 t -59.92 -40.09 81.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.22 177.528 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 693' ' ' LEU . . . . . . . . . . . . . 89.3 mt -64.79 -38.32 90.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.26 -179.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 694' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -69.89 -40.12 75.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.175 177.237 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 695' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -64.81 -42.07 95.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.172 -177.313 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 696' ' ' TYR . . . . . . . . . . . . . 88.9 m-85 -119.9 98.59 49.39 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.186 -177.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 697' ' ' PRO . . . . . . . . . . . . . 75.7 Cg_exo -54.54 -32.19 73.02 Favored 'Trans proline' 0 N--CA 1.458 -0.589 0 C-N-CA 121.684 1.589 . . . . 0.0 111.228 178.738 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 698' ' ' MET . . . . . . . . . . . . . 99.9 mmm -62.8 -32.37 73.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.174 -178.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 699' ' ' MET . . . . . . . . . . . . . 36.9 mmt -96.32 -19.58 19.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.206 179.335 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 700' ' ' ARG . . . . . . . . . . . . . 37.1 ttm180 -47.07 -53.97 11.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.204 179.476 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -79.84 -34.03 39.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.18 -176.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 702' ' ' ALA . . . . . . . . . . . . . . . -57.34 -45.04 84.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.19 -177.129 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 703' ' ' PHE . . . . . . . . . . . . . 85.6 m-85 -106.16 19.97 19.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.201 -178.429 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 704' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -59.52 -30.44 68.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.203 175.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 705' ' ' THR . . . . . . . . . . . . . 67.0 p -100.17 13.51 33.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.194 -176.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 706' ' ' VAL . . . . . . . . . . . . . 85.7 t -111.54 139.86 33.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.245 -178.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 707' ' ' ALA . . . . . 0.402 ' O ' ' CE2' ' A' ' 689' ' ' PHE . . . . . . . . 0 C--O 1.2 -1.5 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.22 179.014 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 577' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.81 0.338 . . . . 0.0 111.18 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 578' ' ' SER . . . . . . . . . . . . . 82.7 p -80.95 166.45 20.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.174 -179.322 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 -140.03 74.64 1.47 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.166 177.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 580' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -91.13 170.0 10.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.188 -176.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 581' ' ' ILE . . . . . . . . . . . . . 97.5 mt -70.46 119.77 17.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.192 175.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 49.9 pt -65.09 152.39 9.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.174 -174.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 583' ' ' ASN . . . . . . . . . . . . . 74.9 m-80 -99.81 160.01 14.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.187 174.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 584' ' ' PHE . . . . . . . . . . . . . 88.6 m-85 -81.21 177.79 8.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.207 178.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 585' ' ' ASN . . . . . . . . . . . . . 32.5 t30 75.71 23.16 1.44 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.173 -178.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 586' ' ' CYS . . . . . . . . . . . . . 79.0 m -99.9 4.15 44.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.233 177.71 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 587' ' ' ARG . . . . . . . . . . . . . 71.5 ttp85 -60.25 -40.49 90.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.207 176.138 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 588' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -65.45 -35.71 81.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.206 178.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 75.9 mt -64.59 -51.76 61.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.21 176.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 590' ' ' VAL . . . . . . . . . . . . . 66.0 t -58.62 -42.58 85.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.18 178.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 591' ' ' ALA . . . . . . . . . . . . . . . -69.79 -15.01 63.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.234 -175.071 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 75.6 m -61.06 -38.1 85.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.218 -179.296 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 593' ' ' MET . . . . . . . . . . . . . 10.9 tpt -68.2 121.27 79.6 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.199 175.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_exo -51.01 -41.47 56.46 Favored 'Trans proline' 0 N--CA 1.458 -0.563 0 C-N-CA 121.698 1.598 . . . . 0.0 111.176 -178.137 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 595' ' ' LEU . . . . . . . . . . . . . 5.9 mp -64.81 -28.3 69.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.183 -177.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 596' ' ' PHE . . . . . . . . . . . . . 14.8 m-30 -88.99 -25.91 21.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.195 179.642 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 597' ' ' ALA . . . . . . . . . . . . . . . -68.21 -36.08 78.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.147 173.066 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 598' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -71.41 -24.18 62.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.227 175.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 599' ' ' ALA . . . . . . . . . . . . . . . -70.05 155.13 41.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.217 177.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 600' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -57.67 147.52 61.08 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.176 -179.174 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 601' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_exo -51.99 -36.21 63.92 Favored 'Trans proline' 0 N--CA 1.458 -0.611 0 C-N-CA 121.709 1.606 . . . . 0.0 111.226 175.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 602' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -70.22 -38.32 75.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.141 178.301 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 603' ' ' PHE . . . . . . . . . . . . . 12.8 m-30 -60.74 -40.73 93.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.19 174.467 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 604' ' ' VAL . . . . . 0.403 ' HA ' ' HE1' ' A' ' 607' ' ' MET . 67.5 t -60.42 -49.61 83.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.172 177.02 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 605' ' ' THR . . . . . . . . . . . . . 96.8 m -55.02 -46.62 75.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.196 175.576 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 606' ' ' SER . . . . . . . . . . . . . 72.9 m -60.04 -46.11 90.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.201 -179.079 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 607' ' ' MET . . . . . 0.403 ' HE1' ' HA ' ' A' ' 604' ' ' VAL . 68.9 mtm -60.02 -40.18 88.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.206 177.476 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 608' ' ' LEU . . . . . 0.796 ' O ' HD21 ' A' ' 608' ' ' LEU . 3.3 tt -53.66 -40.26 65.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.247 178.509 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 609' ' ' THR . . . . . . . . . . . . . 69.2 p -84.72 -8.63 58.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.185 -174.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 610' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -99.49 5.01 46.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.164 176.158 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 611' ' ' LEU . . . . . . . . . . . . . 92.8 mt -66.29 148.16 52.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.177 176.626 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 612' ' ' ARG . . . . . . . . . . . . . 74.3 ttt180 -113.03 123.7 50.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.168 171.131 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 613' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -80.08 106.31 12.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.163 -174.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -115.12 115.63 27.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.184 -175.568 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 615' ' ' VAL . . . . . . . . . . . . . 94.2 t -96.19 140.82 16.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.236 178.725 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 616' ' ' PHE . . . . . . . . . . . . . 99.4 m-85 -130.61 143.79 50.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.122 -175.345 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 617' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -100.81 161.83 22.59 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.23 178.101 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 618' ' ' PRO . . . . . . . . . . . . . 79.4 Cg_exo -52.32 121.57 9.2 Favored 'Trans proline' 0 N--CA 1.458 -0.613 0 C-N-CA 121.72 1.613 . . . . 0.0 111.21 175.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 619' ' ' GLY . . . . . . . . . . . . . . . 96.81 -16.54 60.81 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.176 -0.77 . . . . 0.0 111.176 178.014 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 620' ' ' ASP . . . . . . . . . . . . . 59.3 t0 -70.16 129.32 39.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.843 0.354 . . . . 0.0 111.214 -179.399 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 621' ' ' TYR . . . . . 0.404 ' CZ ' ' HD3' ' A' ' 674' ' ' ARG . 57.6 m-85 -82.8 138.08 34.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.204 -177.199 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 622' ' ' ILE . . . . . . . . . . . . . 75.3 mt -101.72 -44.89 10.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.233 177.523 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 623' ' ' ILE . . . . . . . . . . . . . 70.4 mt -129.96 139.14 52.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.18 177.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 34.6 mmt180 -105.75 140.71 38.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.222 176.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 625' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -71.64 134.77 46.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.233 178.023 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 626' ' ' GLY . . . . . . . . . . . . . . . 88.69 12.97 63.61 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.234 -0.746 . . . . 0.0 111.234 176.059 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 627' ' ' THR . . . . . . . . . . . . . 47.2 p -117.38 165.27 13.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.83 0.348 . . . . 0.0 111.17 179.099 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 628' ' ' ILE . . . . . . . . . . . . . 97.1 mt -66.61 129.49 31.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.165 -178.616 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 629' ' ' GLY . . . . . . . . . . . . . . . -127.55 107.97 0.92 Allowed Glycine 0 CA--C 1.523 0.559 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 179.647 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 630' ' ' LYS . . . . . . . . . . . . . 23.1 pttp -141.33 33.1 1.69 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.8 0.333 . . . . 0.0 111.237 -178.721 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 631' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -129.99 137.96 50.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.192 175.661 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 632' ' ' MET . . . . . . . . . . . . . 90.1 mmm -78.45 145.19 35.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.207 167.311 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 633' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -128.25 125.74 39.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.189 175.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 634' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -117.74 134.14 55.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.184 178.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 635' ' ' ILE . . . . . . . . . . . . . 66.1 mt -98.94 113.54 34.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.149 -172.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 -89.94 -40.06 12.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.209 177.06 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 637' ' ' HIS . . . . . . . . . . . . . 99.5 m-70 -141.53 151.15 43.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.224 174.385 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 638' ' ' GLY . . . . . 0.409 ' HA3' ' HA ' ' A' ' 679' ' ' CYS . . . 99.08 175.55 31.81 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 168.257 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 639' ' ' VAL . . . . . . . . . . . . . 89.7 t -123.21 136.56 59.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.774 0.321 . . . . 0.0 111.197 -178.052 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 640' ' ' VAL . . . . . . . . . . . . . 25.1 m -127.73 159.94 37.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.196 177.182 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 641' ' ' SER . . . . . . . . . . . . . 48.4 m -113.75 127.63 56.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.216 173.614 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 642' ' ' VAL . . . . . . . . . . . . . 86.3 t -109.88 111.59 36.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.21 179.488 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 643' ' ' LEU . . . . . . . . . . . . . 64.9 tp -107.81 120.06 41.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.207 -177.197 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 644' ' ' THR . . . . . 0.435 ' HB ' ' HB2' ' A' ' 647' ' ' ASN . 93.9 m -109.7 138.15 46.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.15 -178.525 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -54.11 119.79 5.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.2 -175.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 646' ' ' GLY . . . . . . . . . . . . . . . 74.51 15.19 80.54 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.196 -0.761 . . . . 0.0 111.196 172.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 647' ' ' ASN . . . . . 0.435 ' HB2' ' HB ' ' A' ' 644' ' ' THR . 65.1 m-80 -133.01 157.27 45.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.838 0.351 . . . . 0.0 111.203 -177.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 648' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -65.07 136.86 57.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.209 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 649' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -65.23 137.4 57.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.18 178.434 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 650' ' ' THR . . . . . . . . . . . . . 98.3 m -109.76 130.45 55.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.18 -179.392 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 651' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -95.57 124.38 39.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.164 179.515 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 88.4 mt -122.6 148.88 44.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.219 -177.532 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -142.88 -169.55 3.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.204 -174.29 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 654' ' ' ASP . . . . . . . . . . . . . 64.2 t0 -44.83 120.93 2.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.238 176.046 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 655' ' ' GLY . . . . . . . . . . . . . . . 99.57 -4.95 58.32 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 176.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 656' ' ' SER . . . . . . . . . . . . . 48.1 m -96.03 174.37 6.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.794 0.33 . . . . 0.0 111.201 179.316 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 657' ' ' TYR . . . . . . . . . . . . . 34.3 p90 -158.9 168.55 26.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.196 178.192 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 658' ' ' PHE . . . . . . . . . . . . . 41.7 p90 -159.6 163.19 35.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.142 177.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 659' ' ' GLY . . . . . 0.575 ' O ' ' HB2' ' A' ' 662' ' ' CYS . . . 111.77 17.56 8.45 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.147 -0.781 . . . . 0.0 111.147 -176.798 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 660' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -55.94 -35.96 67.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.809 0.338 . . . . 0.0 111.235 -178.053 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 661' ' ' ILE . . . . . 0.419 HD13 HH21 ' A' ' 669' ' ' ARG . 94.5 mt -69.28 -28.42 38.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.228 179.042 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 662' ' ' CYS . . . . . 0.575 ' HB2' ' O ' ' A' ' 659' ' ' GLY . 91.5 m -64.61 -23.68 67.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.194 -173.725 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 663' ' ' LEU . . . . . . . . . . . . . 96.4 mt -81.68 -18.98 42.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.249 178.187 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 85.2 mt -107.5 -19.03 13.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.238 -174.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 665' ' ' THR . . . . . . . . . . . . . 89.8 m -129.44 129.98 45.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.187 -178.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 666' ' ' ARG . . . . . . . . . . . . . 69.1 ttt180 -109.93 50.05 0.81 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.188 -178.609 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . -152.21 -153.26 6.2 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 -177.433 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 96.8 mtt-85 -79.41 144.56 34.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.746 0.308 . . . . 0.0 111.211 -177.539 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 669' ' ' ARG . . . . . 0.419 HH21 HD13 ' A' ' 661' ' ' ILE . 31.9 mtp-105 -120.01 155.53 32.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.168 -178.722 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 670' ' ' THR . . . . . . . . . . . . . 45.1 p -104.9 55.13 0.71 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.22 -177.25 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 671' ' ' ALA . . . . . . . . . . . . . . . -154.97 154.37 32.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.18 178.413 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 672' ' ' SER . . . . . . . . . . . . . 96.2 p -132.81 155.11 49.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.205 179.207 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 673' ' ' VAL . . . . . . . . . . . . . 61.3 t -135.72 132.37 51.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.203 -179.42 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 674' ' ' ARG . . . . . 0.404 ' HD3' ' CZ ' ' A' ' 621' ' ' TYR . 57.1 ttp180 -132.29 135.0 45.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.204 -178.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 675' ' ' ALA . . . . . 0.453 ' HB2' ' HG ' ' A' ' 679' ' ' CYS . . . -76.39 140.29 41.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.228 -179.204 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 676' ' ' ASP . . . . . . . . . . . . . 64.6 m-20 -102.44 -32.92 9.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.159 -178.606 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 677' ' ' THR . . . . . 0.592 ' O ' ' SG ' ' A' ' 679' ' ' CYS . 33.6 p -125.76 -179.18 4.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.243 179.772 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 678' ' ' TYR . . . . . . . . . . . . . 74.5 t80 -60.16 100.08 0.09 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.236 167.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 679' ' ' CYS . . . . . 0.592 ' SG ' ' O ' ' A' ' 677' ' ' THR . 72.0 m -110.21 145.05 37.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.204 -168.037 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 680' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -122.87 107.25 11.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.166 175.605 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 681' ' ' LEU . . . . . . . . . . . . . 6.1 mp -117.88 159.98 22.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.164 -172.537 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 682' ' ' TYR . . . . . . . . . . . . . 87.5 m-85 -125.03 124.41 41.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.243 173.491 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 683' ' ' SER . . . . . . . . . . . . . 96.7 p -98.04 151.72 20.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.218 -178.105 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 684' ' ' LEU . . . . . . . . . . . . . 50.5 tp -148.87 106.52 3.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.2 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 82.6 p -70.31 156.62 39.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.208 -175.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 686' ' ' VAL . . . . . 0.461 HG11 ' O ' ' A' ' 707' ' ' ALA . 29.1 m -62.9 -26.44 40.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.246 172.652 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 687' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -64.73 -44.26 90.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.171 175.223 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 688' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -63.16 -43.62 97.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.196 176.237 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 689' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -58.41 -43.33 88.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.174 176.041 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 690' ' ' ASN . . . . . . . . . . . . . 99.8 m-20 -60.21 -43.01 96.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.197 178.46 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 691' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -59.25 -41.06 87.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.188 177.668 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 692' ' ' VAL . . . . . . . . . . . . . 53.1 t -64.91 -44.51 96.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.196 177.508 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 693' ' ' LEU . . . . . . . . . . . . . 95.4 mt -64.68 -32.3 73.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.218 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 694' ' ' GLU . . . . . 0.424 ' HA ' ' HA ' ' A' ' 700' ' ' ARG . 97.5 mt-10 -86.87 9.1 20.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.184 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 695' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -69.85 -43.94 70.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.204 176.122 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 696' ' ' TYR . . . . . . . . . . . . . 19.9 m-30 -100.13 124.71 42.37 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.19 178.03 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 697' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_exo -54.33 -37.1 88.7 Favored 'Trans proline' 0 N--CA 1.458 -0.596 0 C-N-CA 121.745 1.63 . . . . 0.0 111.175 178.53 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 698' ' ' MET . . . . . . . . . . . . . 99.7 mmm -65.34 -28.49 69.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.209 -176.168 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 699' ' ' MET . . . . . . . . . . . . . 98.4 mmm -118.52 18.57 13.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.198 -178.308 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 700' ' ' ARG . . . . . 0.424 ' HA ' ' HA ' ' A' ' 694' ' ' GLU . 63.6 ttm-85 -60.01 -39.66 86.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.151 -169.275 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 82.2 mtp180 -87.79 8.99 23.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.219 -172.191 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 702' ' ' ALA . . . . . . . . . . . . . . . -62.39 -23.41 66.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.204 175.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 703' ' ' PHE . . . . . . . . . . . . . 9.8 p90 -60.16 -23.05 63.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.204 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 704' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -60.93 -26.81 67.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.21 -177.346 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 705' ' ' THR . . . . . . . . . . . . . 62.8 p -90.62 2.33 55.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.163 -177.416 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 706' ' ' VAL . . . . . . . . . . . . . 95.4 t -113.19 137.33 46.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.183 -179.46 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 707' ' ' ALA . . . . . 0.461 ' O ' HG11 ' A' ' 686' ' ' VAL . . . . . . . . 0 C--O 1.2 -1.549 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.177 178.248 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 577' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.809 0.337 . . . . 0.0 111.15 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 578' ' ' SER . . . . . . . . . . . . . 82.4 p -74.05 170.07 16.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.201 -176.524 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -124.94 60.17 1.2 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.156 -178.04 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 580' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -72.93 177.54 4.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.205 -177.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 581' ' ' ILE . . . . . . . . . . . . . 97.0 mt -65.99 128.98 29.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.214 -172.555 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 48.6 mm -80.49 124.47 38.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.163 177.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 583' ' ' ASN . . . . . 0.585 ' O ' ' SG ' ' A' ' 586' ' ' CYS . 95.7 m-20 -77.14 170.34 16.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.23 178.289 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 584' ' ' PHE . . . . . . . . . . . . . 76.6 m-85 -80.07 156.77 26.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.181 -179.322 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 585' ' ' ASN . . . . . . . . . . . . . 89.8 m-20 59.93 49.71 7.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.226 176.307 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 586' ' ' CYS . . . . . 0.585 ' SG ' ' O ' ' A' ' 583' ' ' ASN . 91.1 m -96.08 -9.33 31.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.218 176.817 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 587' ' ' ARG . . . . . 0.469 ' HB3' HD11 ' A' ' 608' ' ' LEU . 34.4 ptt-85 -60.24 -25.9 66.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.235 176.573 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 588' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -65.97 -34.67 78.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.232 175.256 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 91.7 mt -72.81 -47.44 46.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.226 177.429 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 590' ' ' VAL . . . . . . . . . . . . . 66.9 t -55.95 -46.29 80.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.175 177.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 591' ' ' ALA . . . . . . . . . . . . . . . -79.49 0.62 28.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.215 -173.001 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 73.7 m -65.17 -32.0 73.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.166 175.295 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 593' ' ' MET . . . . . 0.435 ' SD ' ' SD ' ' A' ' 632' ' ' MET . 24.9 ttt -77.72 130.19 74.3 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.196 175.272 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 80.1 Cg_exo -52.85 -43.66 54.48 Favored 'Trans proline' 0 N--CA 1.457 -0.644 0 C-N-CA 121.694 1.596 . . . . 0.0 111.227 179.628 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 595' ' ' LEU . . . . . . . . . . . . . 63.8 tp -59.96 -48.32 82.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.16 178.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 596' ' ' PHE . . . . . . . . . . . . . 14.2 m-30 -71.31 -24.17 62.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.175 -176.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 597' ' ' ALA . . . . . . . . . . . . . . . -71.23 -39.62 71.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.236 173.134 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 598' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -70.39 -27.82 64.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.199 174.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 599' ' ' ALA . . . . . . . . . . . . . . . -61.41 145.88 50.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.204 176.706 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 600' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -59.79 149.96 70.07 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.157 -176.618 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 601' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_exo -51.95 -34.47 56.56 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 121.702 1.602 . . . . 0.0 111.219 175.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 602' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -66.28 -36.04 81.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.226 176.439 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 603' ' ' PHE . . . . . . . . . . . . . 17.1 m-30 -70.08 -32.92 71.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.188 178.487 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 604' ' ' VAL . . . . . . . . . . . . . 76.0 t -63.1 -50.07 80.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.212 173.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 605' ' ' THR . . . . . . . . . . . . . 97.9 m -53.34 -47.61 69.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.206 174.68 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 606' ' ' SER . . . . . . . . . . . . . 73.3 m -58.1 -45.32 87.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.204 179.437 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 72.0 mtm -65.05 -32.17 73.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.228 178.642 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 608' ' ' LEU . . . . . 0.469 HD11 ' HB3' ' A' ' 587' ' ' ARG . 73.8 mt -68.14 -33.25 74.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.241 177.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 609' ' ' THR . . . . . . . . . . . . . 81.3 p -81.06 -21.29 40.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.222 176.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 610' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -95.31 0.36 53.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.22 172.04 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 611' ' ' LEU . . . . . . . . . . . . . 30.7 tp -68.79 132.19 46.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.213 -176.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 612' ' ' ARG . . . . . . . . . . . . . 90.9 mtt180 -105.98 149.84 26.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.22 173.042 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 613' ' ' PHE . . . . . . . . . . . . . 36.2 t80 -123.98 137.63 54.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.2 177.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 71.7 tt0 -148.74 132.1 16.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.16 -179.556 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 615' ' ' VAL . . . . . 0.471 HG23 ' HG2' ' A' ' 680' ' ' ARG . 95.4 t -96.55 125.0 49.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.198 175.206 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 616' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -101.53 141.42 34.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.171 -178.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 617' ' ' GLN . . . . . . . . . . . . . 87.4 mt-30 -87.4 161.17 46.52 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.225 -177.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 618' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -55.06 121.66 10.3 Favored 'Trans proline' 0 N--CA 1.458 -0.578 0 C-N-CA 121.689 1.592 . . . . 0.0 111.197 176.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 619' ' ' GLY . . . . . . . . . . . . . . . 92.67 -8.38 76.77 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 176.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 620' ' ' ASP . . . . . . . . . . . . . 61.1 t0 -70.23 125.33 26.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.812 0.339 . . . . 0.0 111.152 -179.615 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 621' ' ' TYR . . . . . . . . . . . . . 69.6 m-85 -77.32 135.95 38.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.181 179.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 622' ' ' ILE . . . . . . . . . . . . . 71.1 mt -105.47 -45.41 8.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.192 -178.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 623' ' ' ILE . . . . . . . . . . . . . 67.2 mt -131.56 134.14 60.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.211 178.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -100.74 134.19 44.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.168 175.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 625' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -69.24 138.36 53.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.179 178.07 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 626' ' ' GLY . . . . . . . . . . . . . . . 89.55 16.1 57.41 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.179 -0.768 . . . . 0.0 111.179 176.114 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 627' ' ' THR . . . . . . . . . . . . . 52.8 p -117.99 160.07 22.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.81 0.338 . . . . 0.0 111.168 177.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 628' ' ' ILE . . . . . . . . . . . . . 72.1 mt -99.25 79.87 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.222 -179.653 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 629' ' ' GLY . . . . . . . . . . . . . . . -74.68 154.55 47.24 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 177.614 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 630' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -130.08 16.98 5.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.81 0.338 . . . . 0.0 111.199 178.163 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 631' ' ' LYS . . . . . . . . . . . . . 12.0 mptt -120.04 139.94 51.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.182 -177.487 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 632' ' ' MET . . . . . 0.435 ' SD ' ' SD ' ' A' ' 593' ' ' MET . 27.5 ttt -112.94 138.44 49.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.216 174.366 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 633' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -113.87 139.42 49.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.168 -169.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 634' ' ' PHE . . . . . . . . . . . . . 86.2 m-85 -120.73 136.61 54.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.164 174.045 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 635' ' ' ILE . . . . . . . . . . . . . 71.7 mt -99.18 114.91 38.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.175 -171.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 48.0 tt0 -92.8 -41.82 9.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.209 176.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 637' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 -142.85 150.93 40.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.223 174.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 638' ' ' GLY . . . . . . . . . . . . . . . 97.9 177.78 33.52 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 173.215 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 639' ' ' VAL . . . . . . . . . . . . . 97.6 t -128.8 134.98 63.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.825 0.345 . . . . 0.0 111.195 -177.177 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 640' ' ' VAL . . . . . . . . . . . . . 28.3 m -120.17 157.65 22.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.222 174.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 641' ' ' SER . . . . . . . . . . . . . 53.6 m -109.92 126.49 53.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.232 175.037 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 642' ' ' VAL . . . . . 0.432 HG23 HG23 ' A' ' 673' ' ' VAL . 59.4 t -110.99 114.34 46.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.197 -179.786 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 643' ' ' LEU . . . . . . . . . . . . . 65.3 tp -105.52 118.57 36.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.168 -179.232 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 644' ' ' THR . . . . . 0.402 ' HB ' ' HB2' ' A' ' 647' ' ' ASN . 94.8 m -104.5 138.63 40.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.165 -176.253 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 89.1 tttt -56.61 120.1 7.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.22 -176.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 646' ' ' GLY . . . . . . . . . . . . . . . 79.39 7.48 88.45 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.189 -0.765 . . . . 0.0 111.189 173.012 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 647' ' ' ASN . . . . . 0.402 ' HB2' ' HB ' ' A' ' 644' ' ' THR . 67.8 m-80 -130.7 159.9 35.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.783 0.325 . . . . 0.0 111.22 -176.31 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 648' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -68.59 148.31 50.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.149 179.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 649' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -69.89 138.85 52.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.212 -179.324 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 650' ' ' THR . . . . . . . . . . . . . 93.7 m -125.58 138.99 53.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.189 177.43 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 651' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -102.63 144.5 30.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.234 -176.419 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 86.7 mt -126.7 148.23 49.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.241 179.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -141.06 -171.07 3.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.186 -172.417 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 654' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -41.76 119.88 1.39 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.177 178.19 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 655' ' ' GLY . . . . . . . . . . . . . . . 100.57 -2.45 55.97 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.179 -0.768 . . . . 0.0 111.179 175.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 656' ' ' SER . . . . . . . . . . . . . 45.6 m -99.4 175.29 5.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.795 0.331 . . . . 0.0 111.226 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 657' ' ' TYR . . . . . . . . . . . . . 50.1 p90 -159.88 162.14 34.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.153 -179.741 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 658' ' ' PHE . . . . . . . . . . . . . 52.9 p90 -159.68 171.89 18.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.178 -178.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 659' ' ' GLY . . . . . 0.459 ' O ' ' HB2' ' A' ' 662' ' ' CYS . . . 88.72 10.36 67.35 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 177.84 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 660' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -56.4 -33.11 65.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.759 0.314 . . . . 0.0 111.22 -179.152 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 661' ' ' ILE . . . . . 0.466 ' HB ' HH11 ' A' ' 669' ' ' ARG . 91.2 mt -57.97 -35.88 53.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.177 179.005 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 662' ' ' CYS . . . . . 0.459 ' HB2' ' O ' ' A' ' 659' ' ' GLY . 99.4 m -59.97 -32.16 70.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.193 -176.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 663' ' ' LEU . . . . . . . . . . . . . 7.5 mp -95.57 -33.42 12.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.235 -177.343 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 97.2 mt -78.98 -31.31 44.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.172 -174.27 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 665' ' ' THR . . . . . . . . . . . . . 29.9 p -118.88 179.94 4.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.195 -175.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 666' ' ' ARG . . . . . . . . . . . . . 89.9 mmt-85 -134.54 53.43 2.0 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.19 -178.677 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . -155.68 -164.77 13.53 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 -176.28 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 90.0 mtm180 -79.31 143.36 35.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.832 0.349 . . . . 0.0 111.197 -177.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 669' ' ' ARG . . . . . 0.466 HH11 ' HB ' ' A' ' 661' ' ' ILE . 56.4 ttt85 -89.95 134.2 34.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.2 176.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 670' ' ' THR . . . . . . . . . . . . . 40.4 p -95.54 42.1 1.09 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.187 -176.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 671' ' ' ALA . . . . . . . . . . . . . . . -158.04 155.44 29.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.238 179.038 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 672' ' ' SER . . . . . . . . . . . . . 94.0 p -126.6 154.66 43.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.22 177.31 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 673' ' ' VAL . . . . . 0.432 HG23 HG23 ' A' ' 642' ' ' VAL . 46.3 t -134.85 131.63 53.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.212 -176.06 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 674' ' ' ARG . . . . . . . . . . . . . 58.6 ttp180 -134.33 137.29 44.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.184 179.185 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 675' ' ' ALA . . . . . . . . . . . . . . . -76.31 134.97 39.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.19 -178.495 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 676' ' ' ASP . . . . . . . . . . . . . 69.4 m-20 -90.92 -20.33 22.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.245 -177.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 14.9 t -151.11 -166.93 2.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.18 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 678' ' ' TYR . . . . . . . . . . . . . 81.5 m-85 -70.05 94.34 0.87 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.205 173.605 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 679' ' ' CYS . . . . . . . . . . . . . 84.7 m -106.15 142.18 36.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.211 -168.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 680' ' ' ARG . . . . . 0.471 ' HG2' HG23 ' A' ' 615' ' ' VAL . 99.9 mtt180 -109.26 102.79 11.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.165 -178.738 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 681' ' ' LEU . . . . . . . . . . . . . 7.2 mp -118.1 150.85 38.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.181 -170.511 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 682' ' ' TYR . . . . . . . . . . . . . 68.2 m-85 -117.33 143.93 45.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.214 176.151 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 683' ' ' SER . . . . . . . . . . . . . 40.8 t -120.95 130.97 54.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.177 -170.167 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 684' ' ' LEU . . . . . . . . . . . . . 83.7 mt -126.2 127.57 45.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.182 167.27 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 75.2 p -88.86 154.39 20.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.206 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 686' ' ' VAL . . . . . . . . . . . . . 8.4 p -62.74 -30.08 48.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.19 175.35 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 687' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -64.18 -45.37 88.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.192 175.293 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 688' ' ' ASN . . . . . . . . . . . . . 96.8 m-20 -60.18 -45.46 93.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.192 177.139 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 689' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -61.96 -41.52 98.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.153 179.135 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 690' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -59.28 -42.64 91.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.174 176.639 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 691' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -60.65 -44.77 96.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.173 175.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 692' ' ' VAL . . . . . . . . . . . . . 55.3 t -56.26 -40.83 68.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.184 178.432 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 693' ' ' LEU . . . . . . . . . . . . . 85.8 mt -67.25 -44.2 80.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.18 175.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 694' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -61.15 -29.73 69.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.234 -176.222 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 695' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -52.92 -37.49 60.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.215 179.511 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 696' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -109.77 103.32 52.94 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.249 175.495 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 697' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_exo -53.24 -37.32 80.39 Favored 'Trans proline' 0 N--CA 1.459 -0.546 0 C-N-CA 121.7 1.6 . . . . 0.0 111.179 -173.564 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 698' ' ' MET . . . . . . . . . . . . . 61.3 tpp -53.36 -60.04 3.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.205 178.535 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 699' ' ' MET . . . . . . . . . . . . . 96.5 mmm -67.6 -30.27 69.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.19 -179.506 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 700' ' ' ARG . . . . . . . . . . . . . 22.8 ttm180 -55.74 -43.31 76.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.185 176.647 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -81.32 -38.19 27.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.214 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 702' ' ' ALA . . . . . . . . . . . . . . . -60.28 -39.13 85.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.2 -179.532 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 703' ' ' PHE . . . . . . . . . . . . . 16.1 t80 -70.96 -9.99 58.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.182 -174.22 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 704' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -64.49 -23.59 67.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.16 178.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 705' ' ' THR . . . . . . . . . . . . . 70.2 p -104.79 13.9 30.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.199 177.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 706' ' ' VAL . . . . . . . . . . . . . 75.5 t -115.19 105.58 18.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.196 -179.579 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 707' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.2 -1.535 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.206 178.951 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 577' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.77 0.319 . . . . 0.0 111.222 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 578' ' ' SER . . . . . . . . . . . . . 31.3 t -71.38 142.72 50.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.237 -178.556 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -89.98 10.08 25.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.242 -178.254 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 580' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -64.81 152.68 42.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.191 177.406 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 581' ' ' ILE . . . . . . . . . . . . . 47.0 pt -113.65 -175.3 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.206 179.486 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 10.9 tp -50.44 136.02 9.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.231 179.625 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 583' ' ' ASN . . . . . 0.426 ' O ' ' HB2' ' A' ' 586' ' ' CYS . 95.8 m-20 -89.72 161.04 16.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.169 -179.165 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 584' ' ' PHE . . . . . . . . . . . . . 91.1 t80 -58.18 132.67 54.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.232 177.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 585' ' ' ASN . . . . . . . . . . . . . 32.4 t30 75.95 18.04 2.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.162 178.453 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 586' ' ' CYS . . . . . 0.426 ' HB2' ' O ' ' A' ' 583' ' ' ASN . 62.7 m -119.11 -14.72 9.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.213 173.749 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 587' ' ' ARG . . . . . 0.502 ' HG2' HD13 ' A' ' 608' ' ' LEU . 99.9 mtt180 -59.36 -44.1 92.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.164 177.593 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 588' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -68.14 -34.94 77.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.169 179.2 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 66.3 tp -58.68 -48.68 80.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.177 177.502 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 590' ' ' VAL . . . . . . . . . . . . . 75.6 t -67.84 -41.45 85.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.173 177.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 591' ' ' ALA . . . . . . . . . . . . . . . -59.78 -33.59 71.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.183 178.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 79.1 p -84.08 -9.17 58.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.196 -178.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 593' ' ' MET . . . . . . . . . . . . . 56.8 ttm -62.19 136.24 95.37 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.15 178.469 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_exo -48.77 -44.0 32.85 Favored 'Trans proline' 0 N--CA 1.458 -0.568 0 C-N-CA 121.662 1.575 . . . . 0.0 111.229 -179.491 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 595' ' ' LEU . . . . . . . . . . . . . 57.5 tp -54.81 -38.78 67.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.201 -179.396 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 596' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -108.14 10.53 28.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.189 -173.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 597' ' ' ALA . . . . . . . . . . . . . . . -59.88 -42.38 93.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.181 -173.378 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 598' ' ' ASN . . . . . . . . . . . . . 72.8 m-80 -105.86 13.81 28.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.179 -179.119 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 599' ' ' ALA . . . . . . . . . . . . . . . -80.48 146.58 31.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.201 -179.656 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 600' ' ' ASP . . . . . 0.421 ' HB2' ' SD ' ' A' ' 699' ' ' MET . 10.8 t70 -62.57 135.1 95.41 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.198 178.44 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 601' ' ' PRO . . . . . . . . . . . . . 69.5 Cg_exo -49.22 -39.06 42.54 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 121.69 1.593 . . . . 0.0 111.182 -179.467 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 602' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -72.05 -42.93 65.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.187 -179.043 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 603' ' ' PHE . . . . . . . . . . . . . 70.8 t80 -52.21 -50.57 61.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.213 173.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 604' ' ' VAL . . . . . . . . . . . . . 70.1 t -62.43 -51.18 75.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.218 -179.242 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 605' ' ' THR . . . . . . . . . . . . . 84.7 m -50.16 -42.14 50.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.23 -179.092 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 606' ' ' SER . . . . . . . . . . . . . 46.7 t -64.86 -46.77 80.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.212 177.402 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 98.1 mmm -61.48 -28.76 69.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.185 -179.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 608' ' ' LEU . . . . . 0.502 HD13 ' HG2' ' A' ' 587' ' ' ARG . 80.9 mt -69.77 -13.81 62.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.139 -177.16 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 609' ' ' THR . . . . . . . . . . . . . 80.5 p -103.81 4.88 35.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.223 175.677 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 610' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -103.71 -3.79 24.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.197 177.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 611' ' ' LEU . . . . . 0.492 HD21 HD22 ' A' ' 684' ' ' LEU . 25.0 mt -59.86 130.6 47.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.227 -175.479 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 612' ' ' ARG . . . . . . . . . . . . . 94.5 mtt-85 -109.66 99.72 8.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.199 174.112 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 613' ' ' PHE . . . . . . . . . . . . . 49.8 m-85 -80.82 152.28 28.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.184 -170.606 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -161.22 134.12 6.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.198 175.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 615' ' ' VAL . . . . . . . . . . . . . 97.4 t -92.92 142.74 12.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.216 -179.215 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 616' ' ' PHE . . . . . 0.476 ' HB2' ' SG ' ' A' ' 679' ' ' CYS . 96.6 m-85 -129.99 144.61 51.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.235 -176.858 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 617' ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -101.58 162.64 19.83 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.208 175.631 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 618' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_exo -51.78 127.0 21.42 Favored 'Trans proline' 0 N--CA 1.458 -0.589 0 C-N-CA 121.718 1.612 . . . . 0.0 111.186 177.393 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 619' ' ' GLY . . . . . . . . . . . . . . . 99.88 -19.99 51.0 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.206 -0.758 . . . . 0.0 111.206 176.545 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 620' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -67.41 136.6 54.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.788 0.327 . . . . 0.0 111.185 -178.403 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 621' ' ' TYR . . . . . . . . . . . . . 59.2 m-85 -92.59 140.69 29.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.199 -179.049 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 622' ' ' ILE . . . . . . . . . . . . . 5.2 mp -107.57 -40.02 4.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.179 176.178 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 623' ' ' ILE . . . . . . . . . . . . . 62.7 mt -131.11 140.65 48.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.213 177.44 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 96.6 mtt-85 -121.68 127.0 50.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.206 174.522 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 625' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -58.34 133.08 55.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.195 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 626' ' ' GLY . . . . . . . . . . . . . . . 98.49 -21.44 45.97 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 179.336 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 627' ' ' THR . . . . . . . . . . . . . 97.1 m -75.55 139.54 42.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.764 0.316 . . . . 0.0 111.235 -179.679 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 628' ' ' ILE . . . . . . . . . . . . . 95.9 mt -81.71 125.25 39.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.214 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 629' ' ' GLY . . . . . . . . . . . . . . . -178.07 136.67 3.07 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 179.191 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 630' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -119.81 48.39 1.55 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.846 0.355 . . . . 0.0 111.232 -179.666 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 631' ' ' LYS . . . . . 0.524 ' H ' ' NH2' ' A' ' 669' ' ' ARG . 98.2 mttt -118.27 135.12 54.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.216 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 632' ' ' MET . . . . . . . . . . . . . 92.7 mtp -90.55 146.16 24.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.183 175.069 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 633' ' ' TYR . . . . . . . . . . . . . 91.0 m-85 -119.35 133.57 55.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.206 -178.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 634' ' ' PHE . . . . . . . . . . . . . 34.3 m-85 -121.31 134.84 55.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.185 -177.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 635' ' ' ILE . . . . . 0.409 ' HA ' ' HG ' ' A' ' 681' ' ' LEU . 84.1 mt -88.04 113.28 24.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.237 -173.737 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 71.6 tp60 -75.9 -40.02 55.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.185 176.366 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 637' ' ' HIS . . . . . . . . . . . . . 35.3 p80 -169.96 160.66 8.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.203 171.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 638' ' ' GLY . . . . . . . . . . . . . . . 101.2 -177.21 27.34 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 -179.544 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 639' ' ' VAL . . . . . . . . . . . . . 94.4 t -117.47 123.36 71.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.772 0.32 . . . . 0.0 111.174 -176.653 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 640' ' ' VAL . . . . . . . . . . . . . 73.9 t -126.61 130.75 71.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.193 -179.243 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 641' ' ' SER . . . . . . . . . . . . . 31.0 t -93.39 132.34 37.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.169 -175.624 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 642' ' ' VAL . . . . . . . . . . . . . 88.8 t -118.07 122.52 69.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.191 179.464 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 643' ' ' LEU . . . . . . . . . . . . . 65.6 tp -115.13 112.6 22.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.206 178.085 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 644' ' ' THR . . . . . . . . . . . . . 93.8 m -99.7 139.86 34.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.153 -175.752 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 89.0 tttt -53.35 119.28 4.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.228 -176.582 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 646' ' ' GLY . . . . . . . . . . . . . . . 85.02 5.03 86.46 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.204 -0.759 . . . . 0.0 111.204 173.082 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 647' ' ' ASN . . . . . . . . . . . . . 70.5 m-80 -125.79 155.72 40.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.807 0.337 . . . . 0.0 111.228 -178.494 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 648' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -65.77 150.7 48.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.175 -179.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 649' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -65.36 133.35 51.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.187 178.615 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 650' ' ' THR . . . . . . . . . . . . . 58.2 p -125.27 164.85 19.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.19 178.366 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 651' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -125.22 139.37 53.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.224 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 90.0 mt -121.53 156.24 33.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.184 177.502 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -136.3 -172.77 3.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.22 -175.247 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 654' ' ' ASP . . . . . . . . . . . . . 68.2 t0 -44.76 123.69 3.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.178 179.477 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 655' ' ' GLY . . . . . . . . . . . . . . . 103.19 -16.66 53.23 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.232 -0.747 . . . . 0.0 111.232 173.547 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 656' ' ' SER . . . . . . . . . . . . . 74.6 m -89.84 169.75 10.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.79 0.329 . . . . 0.0 111.209 179.129 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 657' ' ' TYR . . . . . . . . . . . . . 44.8 p90 -154.91 170.0 22.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.208 -177.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 658' ' ' PHE . . . . . . . . . . . . . 34.7 p90 -158.46 163.34 37.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.231 -178.23 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 659' ' ' GLY . . . . . . . . . . . . . . . 110.17 -12.92 31.38 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 -177.62 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 660' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -54.96 -42.72 72.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.825 0.345 . . . . 0.0 111.256 -179.569 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 661' ' ' ILE . . . . . . . . . . . . . 97.1 mt -70.95 -37.93 70.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.184 178.487 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 662' ' ' CYS . . . . . . . . . . . . . 90.7 m -60.94 -35.44 76.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.199 -177.468 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 663' ' ' LEU . . . . . . . . . . . . . 7.1 mp -64.54 -19.94 65.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.173 177.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 86.3 mt -92.34 4.95 52.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.265 -176.393 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 665' ' ' THR . . . . . . . . . . . . . 30.1 p -91.91 -169.97 2.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.195 178.369 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 666' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -84.12 2.18 40.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.176 178.262 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 131.34 -33.85 2.71 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.165 -0.774 . . . . 0.0 111.165 175.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 83.7 mtp180 -80.8 141.97 34.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.853 0.359 . . . . 0.0 111.194 178.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 669' ' ' ARG . . . . . 0.524 ' NH2' ' H ' ' A' ' 631' ' ' LYS . 29.5 mmt180 -71.51 145.63 49.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.206 179.748 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 670' ' ' THR . . . . . . . . . . . . . 58.0 p -111.92 24.45 12.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.169 177.324 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 671' ' ' ALA . . . . . . . . . . . . . . . -155.57 158.62 38.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.175 -178.515 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 672' ' ' SER . . . . . . . . . . . . . 59.8 m -121.07 136.81 54.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.211 173.096 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 673' ' ' VAL . . . . . . . . . . . . . 64.9 t -133.25 134.13 57.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.227 -171.713 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 674' ' ' ARG . . . . . . . . . . . . . 37.8 ptt180 -147.45 153.51 39.66 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.234 178.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 675' ' ' ALA . . . . . . . . . . . . . . . -80.7 139.4 36.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.176 -175.318 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 676' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -95.95 -35.39 11.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.183 175.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 44.7 p -127.79 165.18 20.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.254 176.114 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 678' ' ' TYR . . . . . . . . . . . . . 67.3 t80 -56.07 112.89 1.32 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.18 174.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 679' ' ' CYS . . . . . 0.476 ' SG ' ' HB2' ' A' ' 616' ' ' PHE . 31.6 p -138.47 170.0 16.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.216 -164.839 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 680' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -138.95 133.96 32.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.251 176.553 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 681' ' ' LEU . . . . . 0.409 ' HG ' ' HA ' ' A' ' 635' ' ' ILE . 4.7 mp -127.9 173.76 9.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.213 -178.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 682' ' ' TYR . . . . . . . . . . . . . 32.1 p90 -145.07 149.39 34.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.216 167.597 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 683' ' ' SER . . . . . . . . . . . . . 28.8 t -112.67 145.32 40.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.18 -168.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 684' ' ' LEU . . . . . 0.492 HD22 HD21 ' A' ' 611' ' ' LEU . 78.6 mt -132.09 123.16 26.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.199 168.818 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 71.8 p -77.42 151.27 34.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.167 -179.322 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 686' ' ' VAL . . . . . . . . . . . . . 9.5 p -58.14 -27.87 33.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.219 173.169 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 687' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -66.63 -40.72 88.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.185 175.483 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 688' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -67.06 -40.58 87.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.172 177.385 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 689' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -58.58 -49.43 77.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.241 176.355 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 690' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -68.59 -36.82 79.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.235 -179.311 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 691' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -59.0 -51.19 71.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.245 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 692' ' ' VAL . . . . . . . . . . . . . 76.6 t -70.7 -34.69 57.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.207 179.582 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 693' ' ' LEU . . . . . 0.413 HD12 ' HB3' ' A' ' 699' ' ' MET . 28.5 tp -55.92 -43.92 77.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.215 174.67 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 694' ' ' GLU . . . . . . . . . . . . . 60.1 mt-10 -85.45 -20.36 29.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.172 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 695' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -53.58 -47.38 70.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.24 176.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 696' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -93.95 121.33 64.45 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.184 177.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 697' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_exo -54.36 -33.79 77.99 Favored 'Trans proline' 0 N--CA 1.458 -0.585 0 C-N-CA 121.687 1.591 . . . . 0.0 111.186 -179.566 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 698' ' ' MET . . . . . . . . . . . . . 99.8 mmm -67.85 -30.13 69.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.21 -178.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 699' ' ' MET . . . . . 0.421 ' SD ' ' HB2' ' A' ' 600' ' ' ASP . 99.3 mmm -96.8 -19.91 18.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.228 -178.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 700' ' ' ARG . . . . . . . . . . . . . 39.2 ttm180 -58.15 -33.72 69.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.204 -177.366 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -59.74 -30.82 69.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.163 -178.542 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 702' ' ' ALA . . . . . . . . . . . . . . . -67.02 -25.75 66.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.25 -179.565 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 703' ' ' PHE . . . . . . . . . . . . . 75.4 t80 -59.05 -26.81 64.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.209 179.604 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 704' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -58.79 -30.15 67.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.203 -178.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 705' ' ' THR . . . . . . . . . . . . . 64.3 p -92.3 -5.02 53.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.172 -178.511 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 706' ' ' VAL . . . . . . . . . . . . . 98.7 t -86.21 119.24 34.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.183 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 707' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.2 -1.523 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.207 179.044 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 577' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.78 0.324 . . . . 0.0 111.184 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 578' ' ' SER . . . . . . . . . . . . . 89.7 p -102.0 156.26 17.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.208 178.102 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -87.49 79.96 8.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.206 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 580' ' ' GLU . . . . . . . . . . . . . 90.3 mt-10 -78.49 166.32 22.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.191 -179.504 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 581' ' ' ILE . . . . . . . . . . . . . 97.3 mt -62.01 135.8 26.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.223 -179.147 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 47.5 pt -67.14 156.01 7.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.227 -178.148 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 583' ' ' ASN . . . . . 0.477 ' O ' ' SG ' ' A' ' 586' ' ' CYS . 94.4 m-20 -100.07 -169.7 1.77 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.165 177.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 584' ' ' PHE . . . . . 0.415 ' H ' ' HB3' ' A' ' 583' ' ' ASN . 79.3 m-85 -66.54 138.19 57.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.185 -172.273 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 585' ' ' ASN . . . . . . . . . . . . . 84.2 m-20 72.45 13.71 5.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.229 168.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 586' ' ' CYS . . . . . 0.477 ' SG ' ' O ' ' A' ' 583' ' ' ASN . 57.2 m -70.33 -37.98 74.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.214 178.044 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 587' ' ' ARG . . . . . . . . . . . . . 63.7 ttm-85 -56.74 -50.05 73.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.175 177.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 588' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -67.11 -41.25 86.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.235 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 33.6 tp -57.96 -47.97 81.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.232 179.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 590' ' ' VAL . . . . . . . . . . . . . 58.3 t -66.05 -40.18 86.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.202 177.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 591' ' ' ALA . . . . . . . . . . . . . . . -70.43 -11.39 60.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.144 -175.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 66.1 m -67.06 -21.67 65.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.209 -177.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 593' ' ' MET . . . . . . . . . . . . . 73.9 mtm -54.9 128.73 64.7 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.188 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -54.68 -45.05 43.89 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 121.658 1.572 . . . . 0.0 111.216 176.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 595' ' ' LEU . . . . . . . . . . . . . 60.2 tp -62.93 -40.71 98.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.176 -177.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 596' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -100.63 14.89 29.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.155 -177.117 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 597' ' ' ALA . . . . . . . . . . . . . . . -60.0 -35.36 74.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.206 178.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 598' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -110.03 20.06 18.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.176 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 599' ' ' ALA . . . . . . . . . . . . . . . -67.12 149.55 50.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.228 179.627 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 600' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -58.66 143.57 81.66 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.185 178.207 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 601' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_exo -51.62 -34.47 53.08 Favored 'Trans proline' 0 N--CA 1.458 -0.598 0 C-N-CA 121.701 1.6 . . . . 0.0 111.178 175.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 602' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -72.47 -35.07 68.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.228 179.531 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 603' ' ' PHE . . . . . . . . . . . . . 10.9 m-30 -67.29 -35.26 79.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.187 176.039 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 604' ' ' VAL . . . . . . . . . . . . . 75.9 t -63.6 -51.17 73.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.184 175.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 605' ' ' THR . . . . . . . . . . . . . 88.9 m -56.99 -45.28 83.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.21 175.32 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 606' ' ' SER . . . . . . . . . . . . . 57.9 m -54.98 -49.88 70.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.232 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 77.1 mtm -56.8 -46.03 81.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.18 177.277 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 608' ' ' LEU . . . . . . . . . . . . . 84.8 mt -59.31 -39.94 84.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.21 -176.402 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 609' ' ' THR . . . . . . . . . . . . . 80.6 p -77.21 -10.62 59.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.198 -176.311 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 610' ' ' LYS . . . . . . . . . . . . . 66.2 mttm -99.87 -6.03 27.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.217 179.038 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 611' ' ' LEU . . . . . . . . . . . . . 63.7 mt -64.99 131.72 47.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.173 -177.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 612' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -103.14 133.25 48.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.165 177.378 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 613' ' ' PHE . . . . . . . . . . . . . 84.0 t80 -92.05 135.05 34.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.175 -171.4 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -151.65 132.7 14.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.195 174.15 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 615' ' ' VAL . . . . . 0.56 HG23 ' HG2' ' A' ' 680' ' ' ARG . 99.4 t -93.87 143.67 11.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.246 173.41 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 616' ' ' PHE . . . . . 0.695 ' HB2' ' SG ' ' A' ' 679' ' ' CYS . 98.1 m-85 -124.44 135.21 53.07 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.227 178.064 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 617' ' ' GLN . . . . . 0.424 ' HG2' ' HB2' ' A' ' 620' ' ' ASP . 17.0 pt20 -93.91 161.47 29.86 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.231 -178.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 618' ' ' PRO . . . . . 0.441 ' HG3' ' HA ' ' A' ' 677' ' ' THR . 82.0 Cg_exo -52.08 123.99 13.78 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 121.73 1.62 . . . . 0.0 111.197 176.41 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 619' ' ' GLY . . . . . . . . . . . . . . . 94.89 -12.11 68.9 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.164 -0.775 . . . . 0.0 111.164 176.279 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 620' ' ' ASP . . . . . 0.424 ' HB2' ' HG2' ' A' ' 617' ' ' GLN . 65.6 t0 -73.62 118.65 16.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.798 0.332 . . . . 0.0 111.169 179.243 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 621' ' ' TYR . . . . . . . . . . . . . 60.5 m-85 -72.53 140.63 48.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.26 178.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 622' ' ' ILE . . . . . . . . . . . . . 68.6 mt -107.42 -44.95 7.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.169 178.278 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 623' ' ' ILE . . . . . . . . . . . . . 75.0 mt -134.94 121.77 35.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.197 175.441 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 37.1 mmt180 -79.93 138.11 37.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.212 177.096 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 625' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -67.64 130.96 44.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.184 178.362 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 626' ' ' GLY . . . . . . . . . . . . . . . 100.09 -4.8 57.47 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 177.137 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 627' ' ' THR . . . . . . . . . . . . . 44.3 p -99.94 157.12 16.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.785 0.326 . . . . 0.0 111.194 178.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 628' ' ' ILE . . . . . . . . . . . . . 97.5 mt -79.52 128.41 38.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.187 -176.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 629' ' ' GLY . . . . . . . . . . . . . . . -98.91 131.97 10.76 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.146 -0.782 . . . . 0.0 111.146 177.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 630' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -131.12 -3.76 3.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.804 0.335 . . . . 0.0 111.2 -179.013 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 631' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -125.03 144.56 50.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.176 -178.577 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 632' ' ' MET . . . . . . . . . . . . . 66.2 mtp -90.7 152.44 20.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.213 169.539 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 633' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -129.1 126.6 39.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.197 177.672 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 634' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -110.64 128.15 55.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.227 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 635' ' ' ILE . . . . . . . . . . . . . 73.2 mt -92.41 99.01 9.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.181 -174.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 21.7 tm0? -73.08 -31.71 64.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.18 -178.218 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 637' ' ' HIS . . . . . . . . . . . . . 80.2 t60 -168.82 140.06 2.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.189 176.04 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 638' ' ' GLY . . . . . . . . . . . . . . . 114.02 -178.86 18.51 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 639' ' ' VAL . . . . . . . . . . . . . 95.5 t -120.12 131.25 72.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.78 0.324 . . . . 0.0 111.189 -174.337 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 640' ' ' VAL . . . . . . . . . . . . . 86.7 t -128.76 136.61 59.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.182 175.499 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 641' ' ' SER . . . . . . . . . . . . . 29.6 t -100.94 128.22 47.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.19 -177.517 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 642' ' ' VAL . . . . . . . . . . . . . 70.0 t -112.42 98.57 7.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.211 177.06 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 643' ' ' LEU . . . . . . . . . . . . . 69.6 tp -84.78 110.06 18.53 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.217 -178.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 644' ' ' THR . . . . . . . . . . . . . 97.7 m -86.97 136.34 32.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.209 -176.18 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 89.3 tttt -55.34 118.92 4.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.221 -177.142 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 646' ' ' GLY . . . . . . . . . . . . . . . 72.8 15.05 78.06 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 173.688 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 647' ' ' ASN . . . . . . . . . . . . . 63.7 m-80 -139.7 160.02 40.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.722 0.296 . . . . 0.0 111.227 -176.663 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 648' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -63.12 138.96 58.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.212 175.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 649' ' ' GLU . . . . . . . . . . . . . 19.7 pm0 -64.89 147.3 53.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.182 -178.12 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 650' ' ' THR . . . . . . . . . . . . . 95.5 m -102.89 131.05 50.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.227 174.48 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 651' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -92.76 122.67 35.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.243 -179.356 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 77.8 mt -112.9 141.61 46.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.207 177.442 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -134.43 -170.06 2.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.22 -173.551 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 654' ' ' ASP . . . . . . . . . . . . . 58.4 t0 -51.54 115.64 1.71 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.192 176.718 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 655' ' ' GLY . . . . . . . . . . . . . . . 103.36 2.85 47.7 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 179.454 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 656' ' ' SER . . . . . . . . . . . . . 44.8 m -99.86 170.5 8.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.772 0.32 . . . . 0.0 111.234 176.324 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 657' ' ' TYR . . . . . . . . . . . . . 50.0 p90 -159.85 169.53 23.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.194 175.022 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 658' ' ' PHE . . . . . . . . . . . . . 41.0 p90 -155.15 171.47 19.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.208 -179.014 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 659' ' ' GLY . . . . . . . . . . . . . . . 92.47 4.69 65.8 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.179 -0.768 . . . . 0.0 111.179 -174.463 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 660' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -55.24 -35.47 64.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.785 0.326 . . . . 0.0 111.198 -177.023 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 661' ' ' ILE . . . . . . . . . . . . . 94.1 mt -55.0 -33.93 30.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.219 -179.464 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 662' ' ' CYS . . . . . . . . . . . . . 74.0 m -56.14 -30.32 61.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.215 -176.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 663' ' ' LEU . . . . . . . . . . . . . 94.2 mt -63.07 -32.14 73.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.187 179.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 95.1 mt -88.83 -37.69 15.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.195 -179.359 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 665' ' ' THR . . . . . . . . . . . . . 5.3 t -159.99 129.57 5.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.197 177.32 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 666' ' ' ARG . . . . . 0.641 ' HD3' ' HB ' ' A' ' 686' ' ' VAL . 85.7 mtm180 -87.43 74.48 9.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.166 178.51 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . -118.91 -167.93 13.96 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 -176.411 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 75.0 mtp180 -73.51 137.07 44.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.799 0.333 . . . . 0.0 111.211 179.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 56.3 ttt85 -90.49 130.48 36.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.216 179.617 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 670' ' ' THR . . . . . . . . . . . . . 41.2 p -93.66 42.41 1.1 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.159 178.65 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 671' ' ' ALA . . . . . . . . . . . . . . . -153.71 143.43 21.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.202 179.653 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 672' ' ' SER . . . . . . . . . . . . . 37.5 t -100.32 119.14 37.96 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.214 177.291 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 673' ' ' VAL . . . . . . . . . . . . . 58.2 t -107.85 119.02 56.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.158 -175.563 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 674' ' ' ARG . . . . . . . . . . . . . 59.7 ttp180 -136.09 136.97 40.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.174 -177.551 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 675' ' ' ALA . . . . . . . . . . . . . . . -71.64 139.29 49.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.168 -179.418 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 676' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -99.7 -36.53 9.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.187 -179.404 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 677' ' ' THR . . . . . 0.441 ' HA ' ' HG3' ' A' ' 618' ' ' PRO . 37.2 p -123.63 177.4 5.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.171 179.555 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 678' ' ' TYR . . . . . . . . . . . . . 84.2 m-85 -69.92 93.21 0.75 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.233 170.625 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 679' ' ' CYS . . . . . 0.695 ' SG ' ' HB2' ' A' ' 616' ' ' PHE . 27.7 p -114.42 152.76 31.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.206 -166.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 680' ' ' ARG . . . . . 0.56 ' HG2' HG23 ' A' ' 615' ' ' VAL . 99.6 mtt180 -112.93 114.75 27.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.155 -179.338 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 681' ' ' LEU . . . . . . . . . . . . . 7.9 mp -116.34 149.96 38.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.173 -173.003 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 682' ' ' TYR . . . . . . . . . . . . . 75.0 m-85 -116.4 128.33 55.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.202 169.319 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 683' ' ' SER . . . . . . . . . . . . . 96.5 p -111.1 155.02 23.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.217 -175.101 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 684' ' ' LEU . . . . . . . . . . . . . 41.4 tp -162.62 133.89 5.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.24 176.082 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 72.3 p -77.06 155.76 32.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.226 -173.162 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 686' ' ' VAL . . . . . 0.641 ' HB ' ' HD3' ' A' ' 666' ' ' ARG . 69.3 t -62.52 -32.98 57.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.206 173.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 687' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -58.94 -41.58 87.71 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.204 175.613 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 688' ' ' ASN . . . . . . . . . . . . . 97.2 m-20 -74.23 -35.7 63.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.164 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 689' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -57.91 -42.55 84.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.189 171.188 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 690' ' ' ASN . . . . . . . . . . . . . 97.1 m-20 -65.07 -38.2 90.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.255 176.667 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 691' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -59.71 -41.46 90.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.165 177.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 692' ' ' VAL . . . . . . . . . . . . . 57.4 t -65.11 -49.14 80.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.173 176.597 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 693' ' ' LEU . . . . . . . . . . . . . 84.6 mt -62.86 -29.37 70.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.185 -178.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 694' ' ' GLU . . . . . . . . . . . . . 61.5 mt-10 -100.5 14.05 32.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.145 -179.442 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 695' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -68.71 -40.85 79.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.194 179.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 696' ' ' TYR . . . . . . . . . . . . . 22.1 m-30 -100.0 129.95 27.32 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.216 174.325 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 697' ' ' PRO . . . . . . . . . . . . . 80.6 Cg_exo -53.3 -37.05 80.53 Favored 'Trans proline' 0 N--CA 1.458 -0.58 0 C-N-CA 121.699 1.599 . . . . 0.0 111.207 179.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 698' ' ' MET . . . . . . . . . . . . . 99.9 mmm -63.8 -30.1 71.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.204 -177.695 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 699' ' ' MET . . . . . . . . . . . . . 99.1 mmm -97.74 -20.01 17.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.199 179.17 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 700' ' ' ARG . . . . . . . . . . . . . 35.7 ttm180 -64.95 -36.96 86.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.207 174.549 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -71.71 -34.42 69.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.252 174.032 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 702' ' ' ALA . . . . . . . . . . . . . . . -69.89 -29.64 66.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.168 176.26 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 703' ' ' PHE . . . . . . . . . . . . . 77.5 t80 -64.02 -16.77 62.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.244 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 704' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -58.57 -25.3 62.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.235 178.205 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 705' ' ' THR . . . . . . . . . . . . . 69.3 p -109.22 23.41 14.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.211 178.243 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 706' ' ' VAL . . . . . . . . . . . . . 84.1 t -126.96 129.79 71.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.22 -178.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 707' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.2 -1.522 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.216 178.442 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 577' ' ' ASN . . . . . . . . . . . . . 46.3 p-10 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.791 0.329 . . . . 0.0 111.232 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 578' ' ' SER . . . . . . . . . . . . . 34.6 t -87.43 113.59 23.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.231 -177.725 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -97.49 73.37 2.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.236 -176.647 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 580' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -123.18 160.11 27.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.216 -175.434 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 581' ' ' ILE . . . . . . . . . . . . . 93.2 mt -74.15 137.37 23.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.229 178.647 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 46.0 mm -59.9 134.87 25.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.21 -179.192 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 583' ' ' ASN . . . . . . . . . . . . . 72.6 m-20 -70.08 158.6 35.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.188 -173.166 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 584' ' ' PHE . . . . . . . . . . . . . 72.6 m-85 -66.74 149.23 50.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.213 177.542 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 585' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 66.92 14.72 9.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.154 -177.321 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 586' ' ' CYS . . . . . . . . . . . . . 62.0 m -128.9 -24.19 2.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.213 174.127 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 587' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -58.79 -36.78 74.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.171 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 588' ' ' LYS . . . . . . . . . . . . . 64.6 pttt -61.99 -24.2 66.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.208 178.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 83.9 mt -90.96 -40.35 11.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.19 -179.128 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 590' ' ' VAL . . . . . . . . . . . . . 73.6 t -68.76 -31.85 52.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.21 178.137 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 591' ' ' ALA . . . . . . . . . . . . . . . -83.94 6.96 19.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.22 -176.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 61.5 p -80.3 -9.27 59.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.207 173.714 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 593' ' ' MET . . . . . . . . . . . . . 65.3 mtt -64.23 152.94 87.16 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.197 178.72 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 81.7 Cg_exo -54.94 -39.91 88.26 Favored 'Trans proline' 0 N--CA 1.459 -0.548 0 C-N-CA 121.71 1.607 . . . . 0.0 111.161 -178.077 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 595' ' ' LEU . . . . . . . . . . . . . 52.8 tp -52.04 -49.76 62.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.158 178.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 596' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -79.3 -33.32 43.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.215 -172.619 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 597' ' ' ALA . . . . . . . . . . . . . . . -60.21 -39.17 85.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.168 175.533 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 598' ' ' ASN . . . . . . . . . . . . . 73.1 m-80 -99.96 30.05 3.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.168 178.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 599' ' ' ALA . . . . . . . . . . . . . . . -125.12 151.47 45.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.158 177.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 600' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -65.67 151.89 93.84 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.199 176.1 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 601' ' ' PRO . . . . . . . . . . . . . 82.8 Cg_exo -51.66 -36.33 60.71 Favored 'Trans proline' 0 N--CA 1.458 -0.589 0 C-N-CA 121.726 1.617 . . . . 0.0 111.164 177.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 602' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -66.08 -40.88 91.17 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.23 177.217 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 603' ' ' PHE . . . . . . . . . . . . . 13.8 m-30 -67.67 -34.04 76.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.232 178.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 604' ' ' VAL . . . . . . . . . . . . . 66.6 t -62.28 -53.29 49.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.21 175.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 605' ' ' THR . . . . . . . . . . . . . 97.4 m -53.25 -48.4 68.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.214 179.019 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 606' ' ' SER . . . . . . . . . . . . . 58.3 m -63.69 -50.62 68.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.241 -177.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 61.0 mtt -61.62 -37.72 85.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.186 -173.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 608' ' ' LEU . . . . . . . . . . . . . 80.8 mt -64.6 -15.97 61.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.221 -176.378 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 609' ' ' THR . . . . . . . . . . . . . 69.7 p -100.45 -4.29 29.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.181 178.709 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 610' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -113.99 -15.78 12.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.232 -176.341 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 611' ' ' LEU . . . . . . . . . . . . . 76.4 mt -52.72 131.21 34.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.211 178.315 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 612' ' ' ARG . . . . . . . . . . . . . 53.1 ttp180 -104.88 122.15 45.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.205 172.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 613' ' ' PHE . . . . . . . . . . . . . 59.1 t80 -86.15 122.14 29.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.193 -177.546 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -129.82 126.15 37.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.173 -179.453 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 615' ' ' VAL . . . . . . . . . . . . . 99.3 t -98.38 140.54 17.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.195 175.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 616' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -127.44 140.03 52.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.233 -179.086 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 617' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -93.27 162.22 28.75 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.179 -178.218 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 618' ' ' PRO . . . . . 0.434 ' HG3' ' HA ' ' A' ' 677' ' ' THR . 78.2 Cg_exo -54.01 117.14 3.57 Favored 'Trans proline' 0 N--CA 1.458 -0.576 0 C-N-CA 121.654 1.569 . . . . 0.0 111.234 175.466 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 619' ' ' GLY . . . . . 0.429 ' O ' ' HD2' ' A' ' 674' ' ' ARG . . . 94.95 -4.98 68.55 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.173 -0.771 . . . . 0.0 111.173 177.489 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 620' ' ' ASP . . . . . . . . . . . . . 64.7 t0 -78.34 123.67 27.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.778 0.323 . . . . 0.0 111.2 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 621' ' ' TYR . . . . . . . . . . . . . 44.3 m-85 -68.75 141.19 55.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.173 178.022 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 622' ' ' ILE . . . . . . . . . . . . . 89.1 mt -100.73 -40.18 7.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.166 175.212 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 623' ' ' ILE . . . . . . . . . . . . . 19.1 tt -160.01 137.2 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.21 176.673 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -108.34 148.48 30.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.238 -175.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 625' ' ' GLU . . . . . . . . . . . . . 23.4 pt-20 -70.09 157.17 38.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.225 -179.158 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 626' ' ' GLY . . . . . . . . . . . . . . . 88.24 12.34 65.58 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 178.054 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 627' ' ' THR . . . . . . . . . . . . . 59.3 p -121.68 157.09 31.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.821 0.344 . . . . 0.0 111.191 178.404 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 628' ' ' ILE . . . . . . . . . . . . . 70.0 mt -99.54 80.09 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.167 -179.477 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 629' ' ' GLY . . . . . . . . . . . . . . . -77.76 147.36 32.2 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 -179.493 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 630' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -129.96 30.26 4.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.789 0.328 . . . . 0.0 111.247 176.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 631' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -128.42 139.73 52.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.191 -179.033 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 632' ' ' MET . . . . . . . . . . . . . 64.3 mtt -93.03 143.34 26.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.233 172.206 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 633' ' ' TYR . . . . . . . . . . . . . 90.4 m-85 -119.85 124.81 46.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.214 -175.692 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 634' ' ' PHE . . . . . . . . . . . . . 77.2 m-85 -120.16 131.18 54.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.158 -176.63 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 635' ' ' ILE . . . . . . . . . . . . . 75.8 mt -91.71 109.78 21.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.231 -172.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 70.6 tp60 -78.08 -37.86 45.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.202 176.642 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 637' ' ' HIS . . . . . . . . . . . . . 81.7 t60 -162.4 142.08 9.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.177 174.648 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 638' ' ' GLY . . . . . . . . . . . . . . . 113.03 177.63 19.58 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 177.122 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 639' ' ' VAL . . . . . . . . . . . . . 85.5 t -124.84 138.0 55.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.782 0.325 . . . . 0.0 111.231 -177.514 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 640' ' ' VAL . . . . . . . . . . . . . 17.6 m -123.98 147.53 28.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.179 177.207 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 641' ' ' SER . . . . . . . . . . . . . 29.1 t -95.01 123.47 38.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.224 176.16 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 642' ' ' VAL . . . . . 0.417 HG23 HG23 ' A' ' 673' ' ' VAL . 58.6 t -111.68 114.68 47.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.21 -177.829 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 643' ' ' LEU . . . . . . . . . . . . . 64.5 tp -112.59 120.0 40.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.182 -178.255 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 644' ' ' THR . . . . . . . . . . . . . 92.1 m -112.4 144.41 41.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.182 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -54.27 144.87 19.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.232 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 646' ' ' GLY . . . . . . . . . . . . . . . 100.6 7.92 50.2 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 -173.374 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 647' ' ' ASN . . . . . . . . . . . . . 52.7 t30 69.86 47.29 0.62 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.778 0.323 . . . . 0.0 111.162 179.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 648' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -110.18 94.52 5.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.22 179.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 649' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -100.05 120.04 39.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.199 -177.094 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 650' ' ' THR . . . . . . . . . . . . . 63.2 p -134.56 172.71 12.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.165 176.411 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 651' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -133.23 145.34 50.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.159 177.524 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 91.1 mt -121.75 149.3 43.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.163 176.28 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -129.48 -169.75 2.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.164 -170.698 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 654' ' ' ASP . . . . . . . . . . . . . 65.3 t0 -55.96 121.81 10.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.214 178.26 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 655' ' ' GLY . . . . . . . . . . . . . . . 100.05 -6.07 58.12 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 -179.721 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 656' ' ' SER . . . . . . . . . . . . . 34.4 m -93.76 169.77 10.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.798 0.332 . . . . 0.0 111.203 175.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 657' ' ' TYR . . . . . . . . . . . . . 34.1 p90 -157.53 169.1 25.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.197 178.524 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 658' ' ' PHE . . . . . . . . . . . . . 40.9 p90 -159.72 171.02 20.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.178 -177.574 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 659' ' ' GLY . . . . . . . . . . . . . . . 90.59 1.99 73.49 Favored Glycine 0 CA--C 1.522 0.521 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 177.594 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 660' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -59.58 -53.74 54.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.811 0.338 . . . . 0.0 111.221 178.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 661' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.05 -40.48 87.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.203 178.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 662' ' ' CYS . . . . . . . . . . . . . 42.2 t -54.57 -54.54 40.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.164 179.31 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 663' ' ' LEU . . . . . 0.563 ' C ' HD21 ' A' ' 663' ' ' LEU . 8.5 tt -60.42 -43.57 96.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.222 -179.87 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 81.0 mt -61.1 -39.76 91.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.171 -177.526 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 665' ' ' THR . . . . . . . . . . . . . 67.9 p -80.7 165.88 21.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.151 179.681 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 666' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -120.06 47.14 1.8 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.151 178.459 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . -148.88 -171.52 17.72 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 111.176 -0.769 . . . . 0.0 111.176 -178.037 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 89.9 mtm180 -79.26 137.98 37.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.815 0.341 . . . . 0.0 111.212 -178.074 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 77.5 ttt180 -76.77 141.72 40.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.195 -179.639 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 670' ' ' THR . . . . . . . . . . . . . 40.1 p -102.47 38.23 1.74 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.18 -179.595 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 671' ' ' ALA . . . . . . . . . . . . . . . -159.2 155.51 27.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.215 -177.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 672' ' ' SER . . . . . . . . . . . . . 95.9 p -132.91 155.37 49.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.195 178.565 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 673' ' ' VAL . . . . . 0.417 HG23 HG23 ' A' ' 642' ' ' VAL . 47.4 t -135.0 129.96 51.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.237 -177.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 674' ' ' ARG . . . . . 0.429 ' HD2' ' O ' ' A' ' 619' ' ' GLY . 60.1 ttp180 -131.12 134.1 46.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.186 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 675' ' ' ALA . . . . . . . . . . . . . . . -68.08 130.72 43.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.213 -177.045 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 676' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -85.83 -20.87 28.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.222 -178.32 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 677' ' ' THR . . . . . 0.481 ' O ' ' SG ' ' A' ' 679' ' ' CYS . 14.7 t -155.72 -169.04 2.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.189 -178.557 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 678' ' ' TYR . . . . . . . . . . . . . 89.7 t80 -59.99 99.88 0.08 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.242 172.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 679' ' ' CYS . . . . . 0.481 ' SG ' ' O ' ' A' ' 677' ' ' THR . 79.3 m -113.3 141.22 47.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.203 -171.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 680' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -115.82 115.07 25.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.218 174.58 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 681' ' ' LEU . . . . . . . . . . . . . 5.8 mp -119.96 155.25 33.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.182 -174.021 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 682' ' ' TYR . . . . . . . . . . . . . 80.3 m-85 -116.21 138.92 50.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.2 166.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 683' ' ' SER . . . . . . . . . . . . . 66.2 m -116.51 143.05 46.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.176 -177.33 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 684' ' ' LEU . . . . . . . . . . . . . 74.4 mt -133.48 127.4 33.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.241 170.391 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 85.0 p -83.74 158.81 21.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.218 179.181 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 686' ' ' VAL . . . . . . . . . . . . . 10.6 p -56.09 -31.54 31.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.237 171.58 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 687' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -64.3 -44.04 92.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.205 176.169 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 688' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -63.29 -43.5 97.71 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.148 176.489 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 689' ' ' PHE . . . . . . . . . . . . . 33.8 m-85 -62.75 -34.44 77.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.24 179.574 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 690' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -68.21 -44.1 76.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.18 175.505 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 691' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -58.45 -41.51 85.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.142 -179.098 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 692' ' ' VAL . . . . . . . . . . . . . 55.7 t -50.37 -35.11 12.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.236 177.65 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 693' ' ' LEU . . . . . . . . . . . . . 79.7 mt -94.74 -5.0 46.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.21 -172.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 694' ' ' GLU . . . . . 0.471 ' HA ' ' HE ' ' A' ' 700' ' ' ARG . 96.6 mt-10 -109.89 -10.97 14.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.2 -177.61 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 695' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -74.24 -7.61 53.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.204 174.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 696' ' ' TYR . . . . . . . . . . . . . 39.4 m-85 -125.56 80.79 65.61 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.154 178.15 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 697' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_exo -55.5 -31.53 78.72 Favored 'Trans proline' 0 N--CA 1.459 -0.533 0 C-N-CA 121.682 1.588 . . . . 0.0 111.195 -178.046 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 698' ' ' MET . . . . . . . . . . . . . 100.0 mmm -63.6 -31.76 73.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.191 -175.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 699' ' ' MET . . . . . . . . . . . . . 97.1 mmm -118.76 10.02 12.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.179 -178.491 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 700' ' ' ARG . . . . . 0.471 ' HE ' ' HA ' ' A' ' 694' ' ' GLU . 40.3 ttm180 -60.04 -34.48 73.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.207 -177.738 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -71.38 -39.22 71.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.185 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 702' ' ' ALA . . . . . . . . . . . . . . . -69.27 -28.82 66.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.202 175.268 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 703' ' ' PHE . . . . . . . . . . . . . 21.1 m-30 -80.03 -0.15 34.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.19 -177.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 704' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -64.58 -21.71 66.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.18 175.634 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 705' ' ' THR . . . . . . . . . . . . . 82.0 p -97.19 6.2 48.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.257 178.28 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 706' ' ' VAL . . . . . . . . . . . . . 87.4 t -105.56 128.46 59.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.199 -179.164 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 707' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.2 -1.519 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.209 177.194 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 577' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.736 0.303 . . . . 0.0 111.202 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 578' ' ' SER . . . . . . . . . . . . . 83.8 p -92.06 -176.81 4.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.177 -177.607 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -89.94 83.36 6.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.223 176.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 580' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -72.34 169.61 15.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.209 -175.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 581' ' ' ILE . . . . . . . . . . . . . 97.0 mt -63.81 133.41 29.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.167 179.403 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 582' ' ' ILE . . . . . 0.4 HD13 ' HB3' ' A' ' 586' ' ' CYS . 44.9 pt -73.55 153.47 7.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.17 -175.161 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 583' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -64.94 165.51 10.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.169 -179.388 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 584' ' ' PHE . . . . . . . . . . . . . 69.9 t80 -60.82 119.85 9.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.169 177.324 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 585' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 55.8 39.2 30.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.222 -175.515 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 586' ' ' CYS . . . . . 0.4 ' HB3' HD13 ' A' ' 582' ' ' ILE . 41.8 t -56.34 -28.78 60.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.213 175.356 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 587' ' ' ARG . . . . . . . . . . . . . 60.0 ttp180 -46.85 -41.66 16.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.234 174.718 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 588' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -69.62 -25.18 63.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.166 -176.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 95.5 mt -80.7 -36.23 32.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.199 -178.182 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 590' ' ' VAL . . . . . . . . . . . . . 70.1 t -77.42 -38.39 26.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.209 175.456 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 591' ' ' ALA . . . . . . . . . . . . . . . -68.4 -14.12 62.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.198 -174.612 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 59.8 p -63.52 -24.9 68.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.222 177.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 593' ' ' MET . . . . . . . . . . . . . 53.4 ttm -69.96 133.35 88.1 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.183 174.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 99.9 Cg_exo -51.76 -37.46 65.15 Favored 'Trans proline' 0 N--CA 1.459 -0.559 0 C-N-CA 121.656 1.57 . . . . 0.0 111.225 -179.309 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 595' ' ' LEU . . . . . . . . . . . . . 88.1 mt -61.57 -29.65 70.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.192 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 596' ' ' PHE . . . . . . . . . . . . . 72.9 m-85 -107.85 14.55 25.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.207 -179.233 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 597' ' ' ALA . . . . . . . . . . . . . . . -71.85 -48.9 42.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.217 -179.597 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 598' ' ' ASN . . . . . . . . . . . . . 72.6 m-80 -110.13 12.94 23.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.227 -179.346 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 599' ' ' ALA . . . . . . . . . . . . . . . -66.85 149.97 49.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.204 -179.176 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 600' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -64.16 134.77 96.06 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.218 179.22 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 601' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_exo -51.08 -36.62 55.47 Favored 'Trans proline' 0 N--CA 1.457 -0.631 0 C-N-CA 121.726 1.617 . . . . 0.0 111.184 -178.066 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 602' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -70.46 -41.44 72.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.197 -178.518 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 603' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -61.28 -44.03 97.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.184 175.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 604' ' ' VAL . . . . . . . . . . . . . 78.5 t -62.52 -45.55 98.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.153 178.021 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 605' ' ' THR . . . . . . . . . . . . . 88.7 m -55.15 -48.52 73.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.192 177.06 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 606' ' ' SER . . . . . . . . . . . . . 73.6 m -54.29 -45.81 72.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.223 177.636 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 33.0 mmt -60.13 -46.01 91.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.137 176.154 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 608' ' ' LEU . . . . . 0.401 HD21 HD11 ' A' ' 611' ' ' LEU . 80.1 mt -55.96 -40.42 73.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.169 -177.065 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 609' ' ' THR . . . . . . . . . . . . . 65.9 p -76.48 -14.99 60.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.192 -178.341 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 610' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -104.87 8.65 34.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.205 -178.317 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 611' ' ' LEU . . . . . 0.443 HD21 ' CD2' ' A' ' 684' ' ' LEU . 80.3 mt -64.21 130.34 43.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.201 178.284 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 612' ' ' ARG . . . . . . . . . . . . . 75.7 ttt180 -102.46 123.76 46.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.223 177.197 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 613' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -102.02 147.77 26.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.222 -174.271 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -154.24 132.12 11.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.217 -178.463 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 615' ' ' VAL . . . . . . . . . . . . . 88.1 t -86.3 141.32 14.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.191 178.018 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 616' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -128.84 133.62 48.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.212 -179.647 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 617' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -90.9 165.18 22.86 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.235 179.263 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 618' ' ' PRO . . . . . . . . . . . . . 69.9 Cg_exo -54.51 117.06 3.54 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 121.707 1.605 . . . . 0.0 111.247 175.036 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 619' ' ' GLY . . . . . . . . . . . . . . . 94.78 -5.07 69.24 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 178.061 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 620' ' ' ASP . . . . . . . . . . . . . 62.7 t0 -74.77 125.86 29.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.767 0.317 . . . . 0.0 111.173 178.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 621' ' ' TYR . . . . . . . . . . . . . 53.5 m-85 -77.05 140.11 40.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.161 -175.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 622' ' ' ILE . . . . . . . . . . . . . 77.4 mt -105.74 -42.96 7.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.178 176.16 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 623' ' ' ILE . . . . . . . . . . . . . 59.1 mt -130.27 136.89 57.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.21 178.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 96.3 mtt-85 -120.11 124.79 46.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.225 172.733 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 625' ' ' GLU . . . . . . . . . . . . . 23.2 pt-20 -66.99 156.12 36.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.172 -179.64 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 626' ' ' GLY . . . . . . . . . . . . . . . 92.09 7.42 64.09 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.191 -0.764 . . . . 0.0 111.191 179.646 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 627' ' ' THR . . . . . . . . . . . . . 70.6 p -122.53 153.83 38.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.846 0.355 . . . . 0.0 111.19 176.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 628' ' ' ILE . . . . . . . . . . . . . 46.3 mm -64.02 127.18 24.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.22 -175.654 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 629' ' ' GLY . . . . . . . . . . . . . . . -87.01 141.59 17.77 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 630' ' ' LYS . . . . . . . . . . . . . 62.1 pttt -169.61 21.6 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.829 0.347 . . . . 0.0 111.229 -178.413 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 631' ' ' LYS . . . . . 0.482 ' HB2' HH22 ' A' ' 669' ' ' ARG . 98.6 mttt -142.25 150.04 40.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.219 179.479 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 632' ' ' MET . . . . . . . . . . . . . 71.6 mtm -118.98 137.94 53.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.187 172.403 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 633' ' ' TYR . . . . . . . . . . . . . 83.6 m-85 -115.08 136.24 53.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.186 -170.083 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 634' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 -120.26 139.85 52.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.224 175.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 635' ' ' ILE . . . . . 0.429 HG12 HD22 ' A' ' 681' ' ' LEU . 73.5 mt -92.89 103.06 14.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.159 -177.546 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -62.93 -51.0 68.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.165 174.652 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 637' ' ' HIS . . . . . . . . . . . . . 53.5 p-80 -159.07 169.1 25.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.167 172.161 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 638' ' ' GLY . . . . . . . . . . . . . . . 91.37 -175.53 39.39 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.174 -0.77 . . . . 0.0 111.174 178.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 639' ' ' VAL . . . . . . . . . . . . . 91.6 t -125.92 137.31 58.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.814 0.34 . . . . 0.0 111.209 -177.038 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 640' ' ' VAL . . . . . . . . . . . . . 30.4 m -124.84 154.49 32.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.229 175.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 641' ' ' SER . . . . . . . . . . . . . 33.4 t -105.34 123.36 47.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.162 176.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 642' ' ' VAL . . . . . 0.412 HG23 HG23 ' A' ' 673' ' ' VAL . 64.0 t -110.62 114.08 46.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.185 -179.126 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 643' ' ' LEU . . . . . . . . . . . . . 69.5 tp -111.28 114.02 26.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.184 -178.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 644' ' ' THR . . . . . . . . . . . . . 97.1 m -99.88 139.94 34.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.194 -178.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -50.27 126.86 15.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.233 -179.042 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 646' ' ' GLY . . . . . . . . . . . . . . . 118.47 10.17 8.85 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 -175.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 647' ' ' ASN . . . . . . . . . . . . . 53.0 t30 69.06 45.81 0.87 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.79 0.329 . . . . 0.0 111.162 -179.591 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 648' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -109.69 90.05 3.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.179 178.358 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 649' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -97.61 111.9 23.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.18 -175.414 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 650' ' ' THR . . . . . . . . . . . . . 71.6 p -125.95 167.29 15.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.21 175.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 651' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -128.84 145.46 51.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.201 178.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 85.9 mt -126.58 152.96 45.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.188 178.195 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -133.64 -177.66 4.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.191 -172.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 654' ' ' ASP . . . . . . . . . . . . . 66.6 t0 -43.01 124.14 3.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.191 179.027 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 655' ' ' GLY . . . . . . . . . . . . . . . 100.61 -5.4 56.91 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 172.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 656' ' ' SER . . . . . . . . . . . . . 74.1 m -98.08 175.85 5.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.806 0.336 . . . . 0.0 111.219 177.504 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 657' ' ' TYR . . . . . . . . . . . . . 30.2 p90 -150.76 168.18 25.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.212 -178.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 658' ' ' PHE . . . . . . . . . . . . . 42.8 p90 -161.02 159.89 29.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.217 178.474 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 659' ' ' GLY . . . . . 0.571 ' HA2' ' SG ' ' A' ' 662' ' ' CYS . . . 93.23 7.5 62.15 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 178.717 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 660' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -54.87 -50.16 69.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.79 0.328 . . . . 0.0 111.21 179.58 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 661' ' ' ILE . . . . . . . . . . . . . 95.1 mt -67.96 -32.86 58.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.19 -177.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 662' ' ' CYS . . . . . 0.571 ' SG ' ' HA2' ' A' ' 659' ' ' GLY . 78.6 m -54.66 -50.43 68.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.214 -176.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 663' ' ' LEU . . . . . . . . . . . . . 17.9 tp -80.02 -39.94 28.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.204 179.52 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 59.8 tp -53.26 -44.85 68.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.225 -179.522 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 665' ' ' THR . . . . . . . . . . . . . 45.3 p -101.51 -168.95 1.62 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.22 178.554 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 666' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -125.37 159.93 30.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.138 178.685 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 109.83 -171.83 15.34 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 178.34 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 92.0 mtm180 -80.64 155.09 27.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.81 0.338 . . . . 0.0 111.222 -178.473 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 669' ' ' ARG . . . . . 0.535 ' HE ' ' HB3' ' A' ' 662' ' ' CYS . 97.9 mtt180 -79.39 141.54 36.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.185 178.302 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 670' ' ' THR . . . . . . . . . . . . . 60.7 p -109.72 26.53 10.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.235 179.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 671' ' ' ALA . . . . . . . . . . . . . . . -150.79 151.02 31.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.229 -179.575 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 672' ' ' SER . . . . . . . . . . . . . 67.5 m -121.99 152.06 40.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.222 177.073 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 673' ' ' VAL . . . . . 0.412 HG23 HG23 ' A' ' 642' ' ' VAL . 58.6 t -135.04 132.98 53.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.253 -178.266 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 674' ' ' ARG . . . . . . . . . . . . . 58.6 ttp180 -134.96 133.8 39.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.199 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 675' ' ' ALA . . . . . . . . . . . . . . . -69.28 132.65 46.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.193 -177.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 676' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -86.57 -19.25 29.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.169 -175.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 14.0 t -152.33 -176.23 5.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.18 -178.668 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 678' ' ' TYR . . . . . . . . . . . . . 76.7 t80 -81.47 122.3 27.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.221 178.247 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 679' ' ' CYS . . . . . . . . . . . . . 30.9 p -166.46 -175.65 3.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.259 -175.358 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 680' ' ' ARG . . . . . . . . . . . . . 38.2 ttm180 -130.03 139.99 50.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.21 179.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 681' ' ' LEU . . . . . 0.429 HD22 HG12 ' A' ' 635' ' ' ILE . 4.6 mp -124.31 171.75 9.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.148 174.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 682' ' ' TYR . . . . . . . . . . . . . 51.4 p90 -146.15 147.85 31.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.188 173.155 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 683' ' ' SER . . . . . . . . . . . . . 88.7 p -138.36 161.99 35.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.23 -167.148 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 684' ' ' LEU . . . . . 0.443 ' CD2' HD21 ' A' ' 611' ' ' LEU . 61.3 mt -116.33 134.72 54.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.197 170.052 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 26.1 t -100.66 149.43 23.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.179 178.027 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 686' ' ' VAL . . . . . . . . . . . . . 7.6 p -52.94 -29.1 14.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.237 174.17 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 687' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -61.16 -43.82 98.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.192 175.437 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 688' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -66.67 -37.81 85.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.222 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 689' ' ' PHE . . . . . . . . . . . . . 37.0 m-85 -62.53 -46.17 89.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.205 175.164 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 690' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -59.97 -40.03 87.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.204 -179.508 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 691' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -55.64 -51.02 68.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.211 177.394 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 692' ' ' VAL . . . . . . . . . . . . . 65.8 t -66.76 -40.83 86.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.219 -178.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 693' ' ' LEU . . . . . . . . . . . . . 92.2 mt -63.9 -39.73 94.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.199 -177.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 694' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -76.27 -33.05 59.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.198 177.214 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 695' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -65.3 -41.27 94.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.186 -179.274 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 696' ' ' TYR . . . . . . . . . . . . . 86.8 m-85 -116.28 101.9 53.72 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.194 177.616 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 697' ' ' PRO . . . . . . . . . . . . . 80.6 Cg_exo -53.7 -32.3 64.67 Favored 'Trans proline' 0 N--CA 1.458 -0.592 0 C-N-CA 121.69 1.593 . . . . 0.0 111.177 -179.022 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 698' ' ' MET . . . . . . . . . . . . . 99.6 mmm -65.44 -35.8 82.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.189 178.384 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 699' ' ' MET . . . . . . . . . . . . . 67.3 mtt -80.11 -29.95 39.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.136 -179.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 700' ' ' ARG . . . . . . . . . . . . . 80.2 ttt180 -41.58 -55.77 2.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.203 -178.157 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -84.66 -40.4 17.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.202 -175.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 702' ' ' ALA . . . . . . . . . . . . . . . -56.02 -40.02 72.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.198 -175.446 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 703' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -112.26 22.51 14.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.198 -176.506 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 704' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -64.18 -35.15 79.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.24 178.499 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 705' ' ' THR . . . . . . . . . . . . . 81.1 p -91.44 1.22 57.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.193 -178.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 706' ' ' VAL . . . . . . . . . . . . . 83.9 t -97.3 107.75 20.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.233 -179.707 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 707' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.2 -1.516 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.179 -177.757 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 577' ' ' ASN . . . . . . . . . . . . . 73.0 m-80 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.759 0.314 . . . . 0.0 111.215 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 578' ' ' SER . . . . . . . . . . . . . 96.6 p -84.28 -14.46 49.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.151 -178.519 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -69.05 145.36 53.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.212 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 580' ' ' GLU . . . . . 0.447 ' HB3' ' HG2' ' A' ' 612' ' ' ARG . 44.2 tt0 -66.02 140.66 58.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.167 179.762 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 581' ' ' ILE . . . . . . . . . . . . . 83.4 mt -89.88 133.84 30.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.219 177.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 15.9 tt -65.45 153.4 8.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.221 -179.178 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 583' ' ' ASN . . . . . 0.439 ' O ' ' SG ' ' A' ' 586' ' ' CYS . 53.9 t30 -40.04 127.43 2.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.243 176.306 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 584' ' ' PHE . . . . . . . . . . . . . 78.8 m-85 -71.1 155.58 40.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.231 -174.321 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 585' ' ' ASN . . . . . . . . . . . . . 56.0 t30 66.46 46.18 1.96 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.216 -177.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 586' ' ' CYS . . . . . 0.439 ' SG ' ' O ' ' A' ' 583' ' ' ASN . 19.3 p -130.73 5.87 4.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.158 177.66 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 587' ' ' ARG . . . . . . . . . . . . . 58.6 ttp180 -46.55 -42.04 15.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.235 -177.045 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 588' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -62.09 -49.71 74.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.203 178.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 94.9 mt -62.43 -32.62 73.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.187 -177.001 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 590' ' ' VAL . . . . . . . . . . . . . 75.6 t -71.87 -50.1 40.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.212 175.26 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 591' ' ' ALA . . . . . . . . . . . . . . . -66.63 -22.06 66.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.196 -175.688 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 53.2 p -65.86 -19.6 65.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.203 -179.579 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 593' ' ' MET . . . . . . . . . . . . . 97.4 mmm -79.85 138.4 53.84 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.199 177.236 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 70.0 Cg_exo -52.44 -40.37 71.62 Favored 'Trans proline' 0 N--CA 1.457 -0.628 0 C-N-CA 121.674 1.583 . . . . 0.0 111.214 -174.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 595' ' ' LEU . . . . . . . . . . . . . 65.7 tp -50.64 -44.38 57.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.234 -179.04 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 596' ' ' PHE . . . . . . . . . . . . . 99.8 m-85 -94.75 -25.3 16.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.189 -172.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 597' ' ' ALA . . . . . . . . . . . . . . . -60.5 -39.26 87.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.194 174.68 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 598' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -92.99 10.57 30.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.239 -179.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 599' ' ' ALA . . . . . . . . . . . . . . . -106.56 155.97 19.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.182 178.566 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 600' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -60.68 132.14 91.29 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.199 178.169 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 601' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_exo -53.32 -34.47 70.63 Favored 'Trans proline' 0 N--CA 1.458 -0.599 0 C-N-CA 121.681 1.587 . . . . 0.0 111.189 -179.182 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 602' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -67.04 -29.77 69.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.19 -178.157 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 603' ' ' PHE . . . . . . . . . . . . . 20.6 m-30 -86.95 -33.35 19.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.163 179.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 604' ' ' VAL . . . . . . . . . . . . . 76.9 t -60.24 -47.01 93.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.204 176.368 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 605' ' ' THR . . . . . . . . . . . . . 76.5 p -70.97 -19.92 62.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.212 -179.196 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 606' ' ' SER . . . . . . . . . . . . . 58.3 m -79.43 -37.89 36.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.203 175.461 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 90.9 mmm -64.86 -20.18 66.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.22 179.15 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 608' ' ' LEU . . . . . . . . . . . . . 90.2 mt -57.26 -27.18 61.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.213 176.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 609' ' ' THR . . . . . . . . . . . . . 82.0 p -95.46 7.18 46.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.187 -179.301 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 610' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -121.75 -24.22 5.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.213 178.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 611' ' ' LEU . . . . . . . . . . . . . 83.5 mt -77.92 153.16 32.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.201 178.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 612' ' ' ARG . . . . . 0.447 ' HG2' ' HB3' ' A' ' 580' ' ' GLU . 80.8 mtp180 -124.86 167.91 13.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.195 -178.527 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 613' ' ' PHE . . . . . . . . . . . . . 47.9 p90 -134.45 159.86 39.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.233 174.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -140.0 133.74 30.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.203 -177.038 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 615' ' ' VAL . . . . . . . . . . . . . 98.3 t -97.07 143.9 11.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.172 176.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 616' ' ' PHE . . . . . 0.631 ' HB2' ' SG ' ' A' ' 679' ' ' CYS . 97.7 m-85 -136.58 150.03 48.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.184 -176.736 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 617' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 -112.48 163.42 17.86 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.18 -177.215 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 618' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_exo -53.12 123.18 12.59 Favored 'Trans proline' 0 N--CA 1.458 -0.59 0 C-N-CA 121.703 1.602 . . . . 0.0 111.188 178.351 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 619' ' ' GLY . . . . . . . . . . . . . . . 94.97 -12.16 68.78 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 176.031 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 620' ' ' ASP . . . . . . . . . . . . . 64.5 t0 -73.69 123.43 24.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.819 0.342 . . . . 0.0 111.161 -178.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 621' ' ' TYR . . . . . . . . . . . . . 63.8 m-85 -73.55 143.25 46.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.155 179.169 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 622' ' ' ILE . . . . . . . . . . . . . 58.9 mt -114.76 -46.3 4.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.192 -178.082 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 623' ' ' ILE . . . . . . . . . . . . . 70.5 mt -131.81 137.6 54.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.259 -179.525 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -111.76 125.45 54.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.233 175.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 625' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -62.06 135.84 57.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.213 178.064 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 626' ' ' GLY . . . . . . . . . . . . . . . 98.69 -18.17 57.29 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 176.004 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 627' ' ' THR . . . . . . . . . . . . . 44.2 p -90.63 165.47 13.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.826 0.346 . . . . 0.0 111.178 -178.209 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 628' ' ' ILE . . . . . . . . . . . . . 47.6 mm -95.72 110.45 24.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.197 -178.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 629' ' ' GLY . . . . . . . . . . . . . . . -135.38 136.41 8.48 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 176.244 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 630' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -119.39 38.66 3.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.775 0.322 . . . . 0.0 111.168 -175.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 631' ' ' LYS . . . . . 0.476 ' O ' ' NH2' ' A' ' 669' ' ' ARG . 99.4 mttt -125.68 127.96 47.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.186 -179.396 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 632' ' ' MET . . . . . . . . . . . . . 64.2 ttp -101.18 128.98 47.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.191 169.098 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 633' ' ' TYR . . . . . . . . . . . . . 78.8 m-85 -105.38 128.03 53.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.168 -172.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 634' ' ' PHE . . . . . . . . . . . . . 85.5 t80 -100.56 130.76 46.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.21 172.575 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 635' ' ' ILE . . . . . . . . . . . . . 68.7 mt -85.33 110.91 20.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.236 -174.108 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 -79.15 -39.89 32.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.209 176.349 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 637' ' ' HIS . . . . . . . . . . . . . 32.7 p80 -168.41 151.69 5.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.177 175.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 638' ' ' GLY . . . . . . . . . . . . . . . 104.06 175.65 25.51 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 -177.656 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 639' ' ' VAL . . . . . . . . . . . . . 92.7 t -122.68 133.25 69.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.79 0.328 . . . . 0.0 111.231 -174.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 640' ' ' VAL . . . . . . . . . . . . . 33.1 m -124.55 158.88 31.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.256 175.047 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 641' ' ' SER . . . . . . . . . . . . . 33.8 t -113.65 124.98 53.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.169 177.707 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 642' ' ' VAL . . . . . . . . . . . . . 81.5 t -112.71 119.69 61.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.186 -177.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 643' ' ' LEU . . . . . . . . . . . . . 66.6 tp -112.73 110.92 21.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.18 178.173 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 644' ' ' THR . . . . . . . . . . . . . 18.4 p -105.3 164.81 11.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.148 -172.746 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -52.22 157.18 1.45 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.177 167.366 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 646' ' ' GLY . . . . . . . . . . . . . . . 84.97 5.41 86.14 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 -171.151 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 647' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 59.91 50.02 7.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.766 0.317 . . . . 0.0 111.187 -179.242 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 648' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -115.74 115.62 26.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.2 -176.041 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 649' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -111.74 115.63 29.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.233 -177.082 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 650' ' ' THR . . . . . . . . . . . . . 72.6 p -130.0 166.05 20.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.19 179.335 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 651' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -122.48 144.24 49.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.205 176.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 85.9 mt -126.2 151.71 47.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.23 -178.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -140.31 -171.93 3.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.221 -176.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 654' ' ' ASP . . . . . . . . . . . . . 67.6 t0 -42.23 122.37 2.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.181 -179.445 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 655' ' ' GLY . . . . . . . . . . . . . . . 108.03 -16.55 35.94 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 173.61 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 656' ' ' SER . . . . . . . . . . . . . 70.5 m -97.2 174.36 6.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.783 0.325 . . . . 0.0 111.222 178.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 657' ' ' TYR . . . . . . . . . . . . . 51.9 p90 -151.52 165.04 35.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.232 178.547 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 658' ' ' PHE . . . . . . . . . . . . . 53.7 p90 -154.44 170.0 22.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.235 -178.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 659' ' ' GLY . . . . . 0.437 ' O ' ' SG ' ' A' ' 662' ' ' CYS . . . 88.98 14.27 61.01 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 -179.501 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 660' ' ' GLU . . . . . . . . . . . . . 24.8 pm0 -69.42 -10.1 56.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.782 0.325 . . . . 0.0 111.173 -179.269 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 661' ' ' ILE . . . . . . . . . . . . . 11.2 tp -58.96 -23.25 23.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.212 174.595 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 662' ' ' CYS . . . . . 0.437 ' SG ' ' O ' ' A' ' 659' ' ' GLY . 28.2 p -65.1 -19.98 66.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.174 178.212 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 663' ' ' LEU . . . . . . . . . . . . . 70.5 mt -93.02 -7.17 46.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.241 179.113 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 81.1 mt -109.94 -29.19 8.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.206 -174.719 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 665' ' ' THR . . . . . . . . . . . . . 34.7 p -115.39 -179.76 3.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.196 -179.339 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 666' ' ' ARG . . . . . . . . . . . . . 16.5 ptm180 -69.04 -10.18 56.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.223 175.231 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 139.19 -15.25 3.25 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 -177.095 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 63.7 ttm-85 -60.1 119.97 8.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.793 0.33 . . . . 0.0 111.234 177.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 669' ' ' ARG . . . . . 0.476 ' NH2' ' O ' ' A' ' 631' ' ' LYS . 23.4 mmt180 -79.99 127.49 32.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.171 179.642 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 670' ' ' THR . . . . . . . . . . . . . 76.3 p -101.3 22.71 12.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.201 179.511 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 671' ' ' ALA . . . . . . . . . . . . . . . -156.55 151.39 26.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.138 -178.505 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 672' ' ' SER . . . . . . . . . . . . . 57.9 m -110.92 132.2 54.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.203 170.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 673' ' ' VAL . . . . . . . . . . . . . 59.5 t -125.88 131.15 72.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.194 -173.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 674' ' ' ARG . . . . . . . . . . . . . 59.7 ttp180 -134.57 138.04 44.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.253 177.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 675' ' ' ALA . . . . . . . . . . . . . . . -70.12 132.91 46.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.236 -178.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 676' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -92.85 -38.33 11.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.235 178.667 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 44.6 p -130.19 165.67 21.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.188 175.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 678' ' ' TYR . . . . . . . . . . . . . 79.3 t80 -55.51 118.28 4.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.171 174.531 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 679' ' ' CYS . . . . . 0.631 ' SG ' ' HB2' ' A' ' 616' ' ' PHE . 31.5 p -142.37 164.71 29.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.192 -167.429 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 680' ' ' ARG . . . . . . . . . . . . . 41.7 ttm180 -132.51 130.15 40.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.211 175.335 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 681' ' ' LEU . . . . . . . . . . . . . 62.5 mt -117.22 149.94 39.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.241 -175.574 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 682' ' ' TYR . . . . . . . . . . . . . 15.3 m-30 -100.07 128.84 46.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.187 171.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 683' ' ' SER . . . . . . . . . . . . . 35.2 t -94.56 111.03 22.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.217 -172.079 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 684' ' ' LEU . . . . . . . . . . . . . 60.2 tp -116.04 102.04 9.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.2 174.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 83.2 p -86.53 164.21 17.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.192 -172.395 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 686' ' ' VAL . . . . . . . . . . . . . 75.2 t -61.53 -34.55 62.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.176 173.213 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 687' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -61.32 -40.05 92.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.194 173.513 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 688' ' ' ASN . . . . . . . . . . . . . 97.1 m-20 -69.47 -35.56 75.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.187 178.157 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 689' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -55.11 -51.59 65.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.201 168.664 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 690' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -59.59 -39.97 85.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.213 178.03 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 691' ' ' GLU . . . . . . . . . . . . . 53.5 tp10 -63.35 -60.06 3.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.234 -174.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 692' ' ' VAL . . . . . . . . . . . . . 9.5 p -62.58 -31.44 52.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.174 -175.037 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 693' ' ' LEU . . . . . . . . . . . . . 94.9 mt -78.97 -33.07 45.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.2 179.725 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 694' ' ' GLU . . . . . 0.409 ' HA ' ' HE ' ' A' ' 700' ' ' ARG . 88.8 tt0 -70.0 -33.82 72.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.179 177.405 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 695' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -56.81 -39.39 74.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.255 178.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 696' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -108.1 106.53 58.78 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.191 175.181 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 697' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -54.01 -31.72 65.31 Favored 'Trans proline' 0 N--CA 1.458 -0.599 0 C-N-CA 121.734 1.622 . . . . 0.0 111.192 -174.736 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 698' ' ' MET . . . . . . . . . . . . . 99.7 mmm -66.88 -29.62 69.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.243 -178.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 699' ' ' MET . . . . . . . . . . . . . 98.9 mmm -100.14 -14.4 18.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.196 -178.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 700' ' ' ARG . . . . . 0.409 ' HE ' ' HA ' ' A' ' 694' ' ' GLU . 40.4 ttm180 -50.98 -39.73 56.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.214 178.001 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -60.44 -28.53 68.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.165 -177.529 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 702' ' ' ALA . . . . . . . . . . . . . . . -60.73 -29.43 69.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.192 -175.44 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 703' ' ' PHE . . . . . . . . . . . . . 57.1 t80 -65.14 -19.21 65.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.196 -176.288 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 704' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -58.55 -26.52 63.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.232 178.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 705' ' ' THR . . . . . . . . . . . . . 72.9 p -82.87 -9.67 59.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.191 -178.616 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 706' ' ' VAL . . . . . . . . . . . . . 87.4 t -84.69 118.69 32.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.212 178.23 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 707' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.2 -1.535 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.191 179.133 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 577' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.788 0.327 . . . . 0.0 111.218 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 578' ' ' SER . . . . . . . . . . . . . 30.9 t -60.0 139.94 57.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.194 -178.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -105.1 20.79 18.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.209 179.659 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 580' ' ' GLU . . . . . . . . . . . . . 91.9 mt-10 56.89 54.62 6.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.185 179.624 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 581' ' ' ILE . . . . . . . . . . . . . 41.8 pt -110.12 39.99 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.14 -176.439 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 94.8 mt -82.86 134.68 26.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.218 -175.465 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 583' ' ' ASN . . . . . . . . . . . . . 33.3 t30 79.61 20.17 0.65 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.182 175.275 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 584' ' ' PHE . . . . . . . . . . . . . 22.3 m-30 -106.35 29.92 6.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.189 178.713 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 585' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 57.94 40.9 25.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.205 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 586' ' ' CYS . . . . . . . . . . . . . 71.2 m -91.21 -39.95 11.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.234 179.54 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 587' ' ' ARG . . . . . . . . . . . . . 42.8 ttm180 -59.84 -36.09 76.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.179 176.452 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 588' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -56.79 -47.97 78.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.207 173.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 95.9 mt -62.62 -41.95 99.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.189 -178.338 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 590' ' ' VAL . . . . . . . . . . . . . 53.8 t -62.81 -50.09 81.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.209 177.307 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 591' ' ' ALA . . . . . . . . . . . . . . . -64.89 -33.81 76.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.249 -176.2 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 60.1 p -67.9 -21.71 65.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.238 -176.652 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 593' ' ' MET . . . . . . . . . . . . . 11.9 tpt -60.15 118.09 29.9 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.214 -178.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_exo -55.64 -41.92 72.84 Favored 'Trans proline' 0 N--CA 1.458 -0.568 0 C-N-CA 121.69 1.593 . . . . 0.0 111.17 -175.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 595' ' ' LEU . . . . . . . . . . . . . 95.6 mt -74.23 -20.44 60.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.243 -172.617 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 596' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -129.96 24.94 5.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.217 -177.063 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 597' ' ' ALA . . . . . . . . . . . . . . . -66.25 -25.51 66.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.206 177.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 598' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -110.02 20.06 18.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.16 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 599' ' ' ALA . . . . . . . . . . . . . . . -66.51 149.83 49.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.172 178.654 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 600' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -62.01 150.08 84.35 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.215 179.604 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 601' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_exo -51.37 -35.8 55.56 Favored 'Trans proline' 0 N--CA 1.457 -0.625 0 C-N-CA 121.71 1.606 . . . . 0.0 111.245 175.555 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 602' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -66.1 -44.81 83.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.188 177.456 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 603' ' ' PHE . . . . . . . . . . . . . 11.3 m-30 -55.48 -47.71 75.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.183 175.034 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 604' ' ' VAL . . . . . . . . . . . . . 65.8 t -55.45 -51.76 53.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.21 179.646 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 605' ' ' THR . . . . . . . . . . . . . 96.4 m -56.09 -48.73 75.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.218 178.078 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 606' ' ' SER . . . . . . . . . . . . . 73.9 m -56.85 -43.13 80.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.162 -178.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 98.0 mtp -60.89 -47.01 88.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.16 175.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 608' ' ' LEU . . . . . . . . . . . . . 93.0 mt -58.15 -34.36 70.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.224 -177.573 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 609' ' ' THR . . . . . . . . . . . . . 71.0 p -85.0 -4.8 59.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.229 -178.21 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 610' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -110.16 -12.72 14.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.215 178.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 611' ' ' LEU . . . . . 0.467 HD21 ' HB2' ' A' ' 684' ' ' LEU . 60.0 mt -58.75 141.81 51.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.175 175.482 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 612' ' ' ARG . . . . . . . . . . . . . 52.9 ttt85 -116.07 120.02 37.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.229 175.142 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 613' ' ' PHE . . . . . . . . . . . . . 49.9 t80 -79.45 120.03 23.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.221 -177.441 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -133.51 132.07 40.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.21 177.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 615' ' ' VAL . . . . . . . . . . . . . 99.3 t -101.6 139.9 21.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.209 178.371 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 616' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -127.81 140.05 52.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.219 -178.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 617' ' ' GLN . . . . . . . . . . . . . 62.3 mt-30 -99.97 160.8 26.23 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.202 179.016 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 618' ' ' PRO . . . . . . . . . . . . . 80.4 Cg_exo -50.02 125.81 15.56 Favored 'Trans proline' 0 N--CA 1.458 -0.615 0 C-N-CA 121.688 1.592 . . . . 0.0 111.211 176.368 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 619' ' ' GLY . . . . . . . . . . . . . . . 100.4 -19.12 54.01 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 176.62 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 620' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -69.59 139.5 53.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.745 0.307 . . . . 0.0 111.201 -178.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 621' ' ' TYR . . . . . . . . . . . . . 57.3 m-85 -98.92 140.08 33.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.225 177.366 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 622' ' ' ILE . . . . . . . . . . . . . 4.2 mp -93.54 -39.98 11.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.195 172.664 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 623' ' ' ILE . . . . . . . . . . . . . 19.5 tt -151.59 149.47 13.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.192 172.7 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 96.8 mtt-85 -112.63 154.52 25.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.213 -179.458 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 625' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -59.92 119.61 8.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.172 177.727 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 626' ' ' GLY . . . . . . . . . . . . . . . 100.33 -5.96 57.61 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 -179.676 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 627' ' ' THR . . . . . . . . . . . . . 91.6 m -85.2 138.86 32.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.809 0.338 . . . . 0.0 111.2 177.182 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 628' ' ' ILE . . . . . . . . . . . . . 97.3 mt -72.28 119.73 19.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.215 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 629' ' ' GLY . . . . . . . . . . . . . . . -111.23 156.86 15.31 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 177.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 630' ' ' LYS . . . . . . . . . . . . . 63.7 pttt -161.75 20.26 0.11 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.789 0.328 . . . . 0.0 111.235 179.156 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 631' ' ' LYS . . . . . 0.4 ' HG2' ' HA ' ' A' ' 685' ' ' SER . 96.4 mttt -135.05 154.79 51.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.19 -177.758 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 632' ' ' MET . . . . . . . . . . . . . 60.2 mtp -108.07 140.19 41.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.196 172.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 633' ' ' TYR . . . . . . . . . . . . . 77.2 m-85 -117.58 121.93 42.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.196 -177.437 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 634' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -103.43 131.05 50.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.196 176.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 635' ' ' ILE . . . . . . . . . . . . . 77.3 mt -92.74 105.06 16.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.222 -173.717 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 25.1 tm0? -75.35 -30.12 60.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.2 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 637' ' ' HIS . . . . . . . . . . . . . 81.9 t60 -170.06 140.11 1.93 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.245 179.218 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 638' ' ' GLY . . . . . . . . . . . . . . . 113.49 174.4 18.89 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 177.03 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 639' ' ' VAL . . . . . . . . . . . . . 95.2 t -113.08 132.0 63.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.775 0.321 . . . . 0.0 111.151 -177.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 640' ' ' VAL . . . . . . . . . . . . . 96.6 t -131.99 134.24 60.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.194 179.472 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 641' ' ' SER . . . . . . . . . . . . . 58.8 m -97.3 131.4 44.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.185 179.57 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 642' ' ' VAL . . . . . . . . . . . . . 89.0 t -116.0 106.13 19.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.218 176.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 643' ' ' LEU . . . . . . . . . . . . . 68.4 tp -98.22 112.27 24.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.183 -179.192 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 644' ' ' THR . . . . . 0.409 ' HB ' ' HB2' ' A' ' 647' ' ' ASN . 97.9 m -98.12 138.12 35.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.244 -177.706 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 89.0 tttt -55.55 119.82 6.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.193 -176.082 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 646' ' ' GLY . . . . . . . . . . . . . . . 74.93 15.11 81.14 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 173.397 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 647' ' ' ASN . . . . . 0.409 ' HB2' ' HB ' ' A' ' 644' ' ' THR . 65.6 m-80 -135.09 159.93 39.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.847 0.356 . . . . 0.0 111.171 -177.798 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 648' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -65.46 137.83 57.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.161 179.479 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 649' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -64.69 132.48 49.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.203 178.365 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 650' ' ' THR . . . . . . . . . . . . . 99.7 m -101.34 129.2 47.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.15 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 651' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -93.72 119.96 33.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.18 178.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 77.4 mt -112.13 149.66 31.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.196 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -138.57 -168.49 2.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.161 -175.46 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 654' ' ' ASP . . . . . . . . . . . . . 63.1 t0 -53.85 118.06 3.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.235 177.151 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 655' ' ' GLY . . . . . . . . . . . . . . . 104.17 -4.8 45.01 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 179.045 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 656' ' ' SER . . . . . . . . . . . . . 50.3 m -93.27 174.26 7.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.823 0.344 . . . . 0.0 111.196 178.422 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 657' ' ' TYR . . . . . . . . . . . . . 37.5 p90 -155.63 166.88 32.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.214 177.352 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 658' ' ' PHE . . . . . . . . . . . . . 51.8 p90 -155.1 175.1 14.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.19 176.506 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 659' ' ' GLY . . . . . 0.526 ' O ' ' HB2' ' A' ' 662' ' ' CYS . . . 93.5 4.17 64.24 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 111.244 -0.743 . . . . 0.0 111.244 -179.033 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 660' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -57.64 -32.14 66.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.804 0.335 . . . . 0.0 111.233 179.686 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 661' ' ' ILE . . . . . . . . . . . . . 11.0 tp -59.91 -27.31 38.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.195 178.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 662' ' ' CYS . . . . . 0.526 ' HB2' ' O ' ' A' ' 659' ' ' GLY . 99.8 m -75.24 -37.11 61.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.184 178.763 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 663' ' ' LEU . . . . . . . . . . . . . 55.0 tp -62.52 -39.76 94.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.174 173.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 66.3 tp -60.84 -58.76 7.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.195 173.221 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 665' ' ' THR . . . . . . . . . . . . . 86.4 m -146.95 119.55 8.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.202 176.671 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 666' ' ' ARG . . . . . 0.533 ' HD3' ' HB ' ' A' ' 686' ' ' VAL . 91.3 mtm180 -72.75 154.72 40.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.217 179.372 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 133.97 -163.96 24.48 Favored Glycine 0 CA--C 1.523 0.546 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 179.425 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 88.8 mtm180 -63.74 121.58 14.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.801 0.334 . . . . 0.0 111.146 -176.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 78.2 ttt180 -94.2 130.68 40.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.214 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 670' ' ' THR . . . . . . . . . . . . . 33.6 p -87.69 57.54 4.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.244 -179.537 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 671' ' ' ALA . . . . . . . . . . . . . . . -161.42 149.62 15.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.155 -178.354 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 672' ' ' SER . . . . . . . . . . . . . 71.3 m -117.91 131.32 56.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.213 175.721 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 673' ' ' VAL . . . . . . . . . . . . . 67.1 t -119.86 123.07 70.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.187 -175.645 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 674' ' ' ARG . . . . . . . . . . . . . 60.9 ttp180 -130.94 131.36 44.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.205 -174.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 675' ' ' ALA . . . . . 0.427 ' HB2' ' SG ' ' A' ' 679' ' ' CYS . . . -72.71 142.87 48.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.224 177.402 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 676' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -106.31 -33.96 7.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.181 -178.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 677' ' ' THR . . . . . 0.525 ' O ' ' SG ' ' A' ' 679' ' ' CYS . 31.7 p -124.96 -177.19 3.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.221 179.768 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 678' ' ' TYR . . . . . . . . . . . . . 81.2 t80 -59.95 99.99 0.08 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.176 169.433 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 679' ' ' CYS . . . . . 0.525 ' SG ' ' O ' ' A' ' 677' ' ' THR . 82.7 m -107.66 137.34 45.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.144 -169.26 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 680' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -115.27 107.26 15.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.228 173.401 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 681' ' ' LEU . . . . . . . . . . . . . 8.1 mp -111.45 150.22 30.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.173 -173.562 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 682' ' ' TYR . . . . . . . . . . . . . 87.5 m-85 -117.89 119.06 33.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.206 171.071 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 683' ' ' SER . . . . . . . . . . . . . 40.5 t -94.26 140.12 30.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.184 -176.638 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 684' ' ' LEU . . . . . 0.467 ' HB2' HD21 ' A' ' 611' ' ' LEU . 39.7 tp -139.49 120.7 14.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.229 173.551 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 685' ' ' SER . . . . . 0.4 ' HA ' ' HG2' ' A' ' 631' ' ' LYS . 59.7 p -73.73 155.4 38.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.196 -172.848 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 686' ' ' VAL . . . . . 0.533 ' HB ' ' HD3' ' A' ' 666' ' ' ARG . 66.9 t -60.51 -36.76 71.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.218 174.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 687' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -56.77 -43.94 81.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.209 173.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 688' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -66.63 -40.06 88.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.188 178.53 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 689' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -54.92 -43.93 73.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.245 174.044 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 690' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -64.46 -44.58 90.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.164 178.419 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 691' ' ' GLU . . . . . . . . . . . . . 64.4 mt-10 -56.91 -41.63 78.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.193 179.487 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 692' ' ' VAL . . . . . . . . . . . . . 69.0 t -70.19 -54.93 16.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.182 -179.632 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 693' ' ' LEU . . . . . . . . . . . . . 43.7 tp -63.73 -35.37 80.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.197 -172.36 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 694' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -85.86 -6.68 59.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.193 -177.266 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 695' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -56.74 -41.84 78.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.178 179.519 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 696' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -110.01 107.54 58.87 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.174 173.522 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 697' ' ' PRO . . . . . . . . . . . . . 79.3 Cg_exo -54.88 -34.84 87.22 Favored 'Trans proline' 0 N--CA 1.459 -0.549 0 C-N-CA 121.71 1.607 . . . . 0.0 111.174 -174.291 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 698' ' ' MET . . . . . . . . . . . . . 99.9 mmm -63.07 -29.63 70.96 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.15 -178.155 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 699' ' ' MET . . . . . . . . . . . . . 97.8 mmm -100.05 -2.67 33.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.188 -179.437 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 700' ' ' ARG . . . . . . . . . . . . . 78.6 ttt-85 -64.97 -30.59 71.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.19 -179.329 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 16.4 ptm180 -60.26 -20.39 58.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.179 -179.602 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 702' ' ' ALA . . . . . . . . . . . . . . . -62.97 -20.87 65.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.19 178.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 703' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -54.24 -27.65 36.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.216 177.635 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 704' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -60.0 -31.5 69.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.214 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 705' ' ' THR . . . . . . . . . . . . . 81.4 p -99.99 -29.91 12.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.221 -178.721 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 706' ' ' VAL . . . . . 0.492 ' O ' ' O ' ' A' ' 707' ' ' ALA . 76.7 t -67.88 132.7 32.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.233 177.179 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 707' ' ' ALA . . . . . 0.492 ' O ' ' O ' ' A' ' 706' ' ' VAL . . . . . . . . 0 C--O 1.2 -1.539 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.213 178.596 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 586' ' ' CYS . . . . . . . . . . . . . 74.3 m . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.812 0.339 . . . . 0.0 111.212 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 587' ' ' ARG . . . . . . . . . . . . . 63.8 ttm-85 -56.84 -46.61 81.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.199 179.094 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 588' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -64.88 -32.86 74.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.175 -179.316 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 93.6 mt -67.36 -45.07 77.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.184 179.317 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 590' ' ' VAL . . . . . . . . . . . . . 62.2 t -64.18 -42.27 94.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.173 175.505 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 591' ' ' ALA . . . . . . . . . . . . . . . -75.96 -1.0 23.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.191 -176.328 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 74.0 m -60.4 -29.23 68.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.208 174.841 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 593' ' ' MET . . . . . . . . . . . . . 27.5 ttt -77.75 130.63 72.88 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.183 175.408 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_exo -52.44 -42.75 59.22 Favored 'Trans proline' 0 N--CA 1.458 -0.573 0 C-N-CA 121.689 1.592 . . . . 0.0 111.197 -178.139 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 595' ' ' LEU . . . . . . . . . . . . . 65.3 tp -60.79 -47.45 86.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.213 179.737 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 596' ' ' PHE . . . . . . . . . . . . . 11.5 m-30 -74.0 -21.57 59.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.218 -176.793 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 597' ' ' ALA . . . . . . . . . . . . . . . -71.88 -39.94 69.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.153 171.521 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 598' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -68.28 -32.35 72.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.23 175.009 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 599' ' ' ALA . . . . . . . . . . . . . . . -61.45 146.63 47.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.157 174.448 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 600' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -72.09 153.54 92.59 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.17 -176.295 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 601' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_exo -53.06 -29.4 44.8 Favored 'Trans proline' 0 N--CA 1.458 -0.595 0 C-N-CA 121.708 1.606 . . . . 0.0 111.223 179.532 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 602' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -64.67 -35.61 81.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.196 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 603' ' ' PHE . . . . . . . . . . . . . 80.4 m-85 -80.78 -37.65 29.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.199 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 604' ' ' VAL . . . . . . . . . . . . . 75.1 t -62.22 -44.31 98.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.187 177.064 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 605' ' ' THR . . . . . . . . . . . . . 97.0 m -54.79 -47.23 74.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.197 174.64 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 606' ' ' SER . . . . . . . . . . . . . 74.1 m -59.5 -42.2 91.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.204 178.649 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 65.9 mtt -57.99 -42.37 84.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.211 175.16 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 608' ' ' LEU . . . . . . . . . . . . . 91.7 mt -62.91 -41.64 99.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.253 -179.706 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 609' ' ' THR . . . . . . . . . . . . . 66.9 p -73.82 -22.24 59.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.197 -178.18 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 610' ' ' LYS . . . . . . . . . . . . . 65.4 mttm -99.65 3.35 45.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.261 174.048 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 611' ' ' LEU . . . . . . . . . . . . . 25.8 tp -70.09 127.19 31.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.221 -174.151 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 612' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -100.81 124.14 46.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.205 -179.501 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 613' ' ' PHE . . . . . . . . . . . . . 18.4 t80 -90.33 120.39 31.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.208 179.46 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -121.3 131.55 54.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.249 -176.815 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 615' ' ' VAL . . . . . . . . . . . . . 97.0 t -102.44 141.39 18.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.193 177.73 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 616' ' ' PHE . . . . . 0.494 ' HB2' ' SG ' ' A' ' 679' ' ' CYS . 98.0 m-85 -136.89 146.11 45.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.238 -177.55 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 617' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -111.08 164.72 14.24 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.187 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 618' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_exo -51.72 127.5 23.06 Favored 'Trans proline' 0 N--CA 1.458 -0.583 0 C-N-CA 121.694 1.596 . . . . 0.0 111.212 179.337 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 619' ' ' GLY . . . . . . . . . . . . . . . 98.4 -17.63 58.22 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 175.6 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 620' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -70.34 138.39 51.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.779 0.323 . . . . 0.0 111.207 -177.732 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 621' ' ' TYR . . . . . . . . . . . . . 60.8 m-85 -91.79 139.27 30.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.188 173.887 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 622' ' ' ILE . . . . . . . . . . . . . 5.2 mp -103.08 -45.67 10.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.181 178.686 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 623' ' ' ILE . . . . . . . . . . . . . 93.7 mt -135.93 137.22 49.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.176 172.459 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 96.7 mtt-85 -110.05 149.05 30.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.202 -178.102 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 625' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -70.43 133.29 46.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.156 178.207 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 626' ' ' GLY . . . . . . . . . . . . . . . 96.82 6.03 58.33 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.169 -0.773 . . . . 0.0 111.169 178.218 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 627' ' ' THR . . . . . . . . . . . . . 44.7 p -107.73 152.48 24.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.794 0.33 . . . . 0.0 111.197 176.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 628' ' ' ILE . . . . . . . . . . . . . 46.8 mm -63.29 118.23 5.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.237 -177.816 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 629' ' ' GLY . . . . . . . . . . . . . . . -93.21 137.87 13.83 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 179.709 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 630' ' ' LYS . . . . . . . . . . . . . 64.1 pttt -171.47 26.77 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.82 0.343 . . . . 0.0 111.21 -179.607 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 631' ' ' LYS . . . . . . . . . . . . . 57.5 pttt -148.99 160.16 43.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.215 -176.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 632' ' ' MET . . . . . . . . . . . . . 38.7 ttm -136.74 144.75 43.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.218 179.186 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 633' ' ' TYR . . . . . . . . . . . . . 81.4 m-85 -118.97 129.45 55.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.194 -176.779 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 634' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -104.0 134.56 47.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.254 172.797 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 635' ' ' ILE . . . . . . . . . . . . . 75.4 mt -89.94 110.01 21.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.233 -169.268 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 67.8 tp60 -69.5 -49.9 50.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.194 172.658 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 637' ' ' HIS . . . . . . . . . . . . . 30.4 p80 -162.36 161.74 27.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.225 176.857 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 638' ' ' GLY . . . . . . . . . . . . . . . 100.67 175.07 29.6 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 111.237 -0.745 . . . . 0.0 111.237 178.615 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 639' ' ' VAL . . . . . . . . . . . . . 92.1 t -119.34 129.25 75.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.825 0.345 . . . . 0.0 111.2 -176.298 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 640' ' ' VAL . . . . . . . . . . . . . 34.3 m -122.94 159.86 26.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.228 176.286 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 641' ' ' SER . . . . . . . . . . . . . 41.3 t -122.6 123.93 42.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.203 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 642' ' ' VAL . . . . . . . . . . . . . 70.4 t -107.34 126.77 63.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.184 179.749 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 643' ' ' LEU . . . . . . . . . . . . . 67.2 tp -120.81 119.63 33.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.198 179.735 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 644' ' ' THR . . . . . . . . . . . . . 96.4 m -107.32 139.14 42.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.199 -177.774 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -54.55 118.95 4.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.21 -175.406 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 646' ' ' GLY . . . . . . . . . . . . . . . 74.78 15.62 80.71 Favored Glycine 0 CA--C 1.523 0.537 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 172.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 647' ' ' ASN . . . . . . . . . . . . . 21.6 m120 -131.63 158.13 41.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.807 0.337 . . . . 0.0 111.225 -177.515 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 648' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -64.76 137.89 58.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.228 -178.226 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 649' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -68.95 138.9 54.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.19 178.201 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 650' ' ' THR . . . . . . . . . . . . . 94.2 m -130.85 137.29 49.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.204 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 651' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -108.18 147.73 30.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.185 -177.714 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 81.1 mt -131.38 155.66 46.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.224 -176.522 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -139.33 -167.89 2.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.235 -174.259 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 654' ' ' ASP . . . . . . . . . . . . . 64.5 t0 -51.9 124.14 11.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.193 -178.873 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 655' ' ' GLY . . . . . . . . . . . . . . . 102.24 -9.96 56.42 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.201 -0.759 . . . . 0.0 111.201 175.171 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 656' ' ' SER . . . . . . . . . . . . . 69.2 m -98.09 179.96 4.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.778 0.323 . . . . 0.0 111.223 176.373 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 657' ' ' TYR . . . . . . . . . . . . . 47.2 p90 -157.56 164.14 37.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.188 178.013 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 658' ' ' PHE . . . . . 0.457 ' CE1' HG11 ' A' ' 673' ' ' VAL . 52.8 p90 -146.89 161.08 41.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.202 179.581 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 659' ' ' GLY . . . . . 0.434 ' O ' ' HB3' ' A' ' 662' ' ' CYS . . . 120.61 7.75 8.71 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 -176.486 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 660' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -61.0 -46.5 90.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.828 0.347 . . . . 0.0 111.21 175.204 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 661' ' ' ILE . . . . . 0.428 HG22 ' HG3' ' A' ' 669' ' ' ARG . 97.0 mt -68.59 -35.77 71.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.241 174.22 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 662' ' ' CYS . . . . . 0.434 ' HB3' ' O ' ' A' ' 659' ' ' GLY . 36.5 t -57.73 -46.22 84.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.217 178.557 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 663' ' ' LEU . . . . . . . . . . . . . 94.3 mt -74.67 -39.59 61.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.197 178.255 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 67.3 tp -54.58 -48.09 72.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.197 179.417 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 665' ' ' THR . . . . . . . . . . . . . 93.2 m -91.17 107.63 19.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.197 178.422 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 666' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -71.38 -22.63 61.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.211 -175.624 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . -91.22 -136.98 7.14 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 176.519 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 90.0 mtm180 -79.64 127.31 32.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.815 0.341 . . . . 0.0 111.196 -178.22 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 669' ' ' ARG . . . . . 0.428 ' HG3' HG22 ' A' ' 661' ' ' ILE . 76.6 ttt180 -71.96 142.56 49.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.186 -178.02 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 670' ' ' THR . . . . . . . . . . . . . 40.5 p -98.82 39.77 1.24 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.19 178.14 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 671' ' ' ALA . . . . . . . . . . . . . . . -158.54 161.44 37.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.169 -179.012 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 672' ' ' SER . . . . . . . . . . . . . 92.1 p -137.65 165.5 26.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.166 178.131 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 673' ' ' VAL . . . . . 0.457 HG11 ' CE1' ' A' ' 658' ' ' PHE . 4.4 p -151.47 138.79 13.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.211 -179.561 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 674' ' ' ARG . . . . . . . . . . . . . 38.1 ptt180 -141.9 158.54 43.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.19 179.673 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 675' ' ' ALA . . . . . . . . . . . . . . . -84.82 130.8 34.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.196 -175.349 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 676' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -90.61 -33.12 15.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.221 174.319 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 44.2 p -133.14 165.3 25.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.215 172.133 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 678' ' ' TYR . . . . . . . . . . . . . 87.7 t80 -53.06 123.77 12.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.202 177.355 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 679' ' ' CYS . . . . . 0.494 ' SG ' ' HB2' ' A' ' 616' ' ' PHE . 31.8 p -143.93 164.37 30.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.17 -170.592 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 680' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -140.15 133.22 29.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.203 177.328 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 681' ' ' LEU . . . . . . . . . . . . . 59.9 mt -123.58 155.56 37.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.229 -167.56 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 682' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -106.65 125.39 50.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.214 171.159 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 683' ' ' SER . . . . . . . . . . . . . 42.1 t -107.3 121.59 44.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.215 -169.594 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 684' ' ' LEU . . . . . . . . . . . . . 95.6 mt -115.55 149.79 37.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.222 165.459 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 78.1 p -127.25 160.29 31.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.21 -177.678 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 686' ' ' VAL . . . . . . . . . . . . . 57.6 t -66.33 -36.53 77.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.186 173.578 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 687' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -55.42 -38.88 69.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.211 174.393 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 688' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 -67.95 -38.12 82.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.186 173.528 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 689' ' ' PHE . . . . . . . . . . . . . 20.0 m-30 -69.19 -23.07 63.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.21 -178.382 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 690' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -69.29 -15.08 63.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.183 173.341 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 691' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -103.64 -29.69 10.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.184 173.578 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 692' ' ' VAL . . . . . . . . . . . . . 93.4 t -86.48 -69.73 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.191 179.638 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 693' ' ' LEU . . . . . . . . . . . . . 95.3 mt -77.29 -21.09 54.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.196 -168.659 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 694' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -96.08 20.39 10.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.201 172.612 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 695' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -72.65 -40.03 66.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.197 175.262 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 696' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -122.34 139.49 30.83 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.211 -179.572 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 697' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_exo -53.48 -33.6 68.28 Favored 'Trans proline' 0 N--CA 1.458 -0.581 0 C-N-CA 121.638 1.559 . . . . 0.0 111.197 178.487 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 698' ' ' MET . . . . . . . . . . . . . 99.8 mmm -59.96 -31.46 69.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.197 -177.621 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 699' ' ' MET . . . . . . . . . . . . . 63.2 tpp -99.97 -20.03 16.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.193 -179.558 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 700' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.187 171.99 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 586' ' ' CYS . . . . . . . . . . . . . 38.3 t . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.779 0.323 . . . . 0.0 111.209 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 587' ' ' ARG . . . . . . . . . . . . . 62.8 ttm-85 -51.62 -46.93 63.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.173 176.247 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 588' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -62.13 -41.76 98.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.204 177.554 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 95.9 mt -61.24 -36.76 80.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.196 -178.701 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 590' ' ' VAL . . . . . . . . . . . . . 79.3 t -67.97 -48.65 73.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.218 174.589 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 591' ' ' ALA . . . . . . . . . . . . . . . -60.06 -28.17 67.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.168 178.477 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 72.4 m -68.99 -25.56 64.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.194 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 593' ' ' MET . . . . . . . . . . . . . 55.1 ttm -67.68 120.08 70.77 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.219 178.541 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_exo -48.15 -44.01 29.61 Favored 'Trans proline' 0 N--CA 1.458 -0.611 0 C-N-CA 121.715 1.61 . . . . 0.0 111.205 177.443 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 595' ' ' LEU . . . . . . . . . . . . . 52.6 tp -52.97 -39.79 63.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.208 -178.205 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 596' ' ' PHE . . . . . . . . . . . . . 44.6 m-85 -117.92 26.89 9.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.226 -176.744 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 597' ' ' ALA . . . . . . . . . . . . . . . -61.07 -34.26 74.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.225 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 598' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -110.24 20.13 18.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.183 -178.487 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 599' ' ' ALA . . . . . . . . . . . . . . . -68.38 150.87 47.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.183 -177.386 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 600' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -64.54 135.0 96.18 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.241 178.204 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 601' ' ' PRO . . . . . . . . . . . . . 78.7 Cg_exo -50.54 -37.5 52.5 Favored 'Trans proline' 0 N--CA 1.458 -0.574 0 C-N-CA 121.706 1.604 . . . . 0.0 111.193 -179.204 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 602' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -73.19 -40.59 64.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.173 -179.034 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 603' ' ' PHE . . . . . . . . . . . . . 84.0 t80 -55.85 -45.9 78.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.206 173.658 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 604' ' ' VAL . . . . . . . . . . . . . 61.6 t -59.22 -49.98 81.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.202 177.536 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 605' ' ' THR . . . . . . . . . . . . . 99.5 m -49.93 -43.31 49.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.199 177.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 606' ' ' SER . . . . . . . . . . . . . 74.1 m -65.97 -47.35 74.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.2 178.144 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 91.2 mmm -57.7 -34.21 69.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.224 -178.774 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 608' ' ' LEU . . . . . . . . . . . . . 83.3 mt -60.75 -27.75 68.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.225 -177.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 609' ' ' THR . . . . . . . . . . . . . 69.1 p -88.93 -4.99 58.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.165 -179.539 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 610' ' ' LYS . . . . . 0.435 ' HB3' ' HB3' ' A' ' 688' ' ' ASN . 75.3 mmtt -106.73 -25.32 11.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.166 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 611' ' ' LEU . . . . . . . . . . . . . 89.8 mt -63.43 146.54 53.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.203 176.39 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 612' ' ' ARG . . . . . . . . . . . . . 91.3 mmt-85 -132.78 127.1 33.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.176 175.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 613' ' ' PHE . . . . . . . . . . . . . 80.2 t80 -84.0 136.57 34.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.189 -171.516 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -147.79 130.51 16.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.151 -178.743 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 615' ' ' VAL . . . . . 0.569 HG22 ' HG2' ' A' ' 680' ' ' ARG . 90.1 t -97.1 143.75 11.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.192 179.356 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 616' ' ' PHE . . . . . 0.616 ' HB2' ' SG ' ' A' ' 679' ' ' CYS . 87.2 m-85 -126.26 146.25 50.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.213 -177.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 617' ' ' GLN . . . . . . . . . . . . . 96.8 mm-40 -101.38 164.09 16.64 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.189 -175.392 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 618' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -52.46 121.75 9.59 Favored 'Trans proline' 0 N--CA 1.458 -0.569 0 C-N-CA 121.753 1.635 . . . . 0.0 111.172 175.759 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 619' ' ' GLY . . . . . . . . . . . . . . . 92.5 -11.34 72.33 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 176.001 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 620' ' ' ASP . . . . . . . . . . . . . 54.8 t0 -70.32 130.16 41.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.817 0.342 . . . . 0.0 111.147 -178.288 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 621' ' ' TYR . . . . . 0.476 ' CZ ' ' HD3' ' A' ' 674' ' ' ARG . 73.2 m-85 -82.18 142.5 32.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.201 179.31 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 622' ' ' ILE . . . . . . . . . . . . . 4.0 mp -109.47 -40.27 4.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.217 178.252 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 623' ' ' ILE . . . . . . . . . . . . . 83.4 mt -131.33 133.21 62.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.174 177.117 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -101.78 135.28 43.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.232 179.774 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 625' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -67.04 129.88 41.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.189 -179.638 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 626' ' ' GLY . . . . . . . . . . . . . . . 74.96 16.04 80.74 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.194 -0.763 . . . . 0.0 111.194 175.84 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 627' ' ' THR . . . . . . . . . . . . . 98.1 m -109.04 128.8 55.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.856 0.36 . . . . 0.0 111.171 178.52 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 628' ' ' ILE . . . . . . . . . . . . . 18.9 tt -64.95 147.62 12.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.202 -176.091 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 629' ' ' GLY . . . . . . . . . . . . . . . 141.87 108.63 0.71 Allowed Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.245 -0.742 . . . . 0.0 111.245 179.761 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 630' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -93.96 79.96 4.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.823 0.344 . . . . 0.0 111.223 -178.413 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 631' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -129.2 138.51 51.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.22 175.578 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 632' ' ' MET . . . . . . . . . . . . . 26.9 ptm -110.06 165.97 11.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.206 172.724 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 633' ' ' TYR . . . . . . . . . . . . . 83.9 m-85 -139.49 136.91 35.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.164 -175.857 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 634' ' ' PHE . . . . . . . . . . . . . 91.4 t80 -101.99 134.82 44.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.209 170.178 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 635' ' ' ILE . . . . . . . . . . . . . 68.1 mt -88.31 98.66 7.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.233 -177.637 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 23.5 tm0? -70.46 -35.21 73.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.181 179.128 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 637' ' ' HIS . . . . . . . . . . . . . 77.8 t60 -169.84 140.14 2.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.14 175.529 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 638' ' ' GLY . . . . . . . . . . . . . . . 123.72 -153.72 17.37 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.206 -0.758 . . . . 0.0 111.206 178.538 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 639' ' ' VAL . . . . . . . . . . . . . 7.1 p -158.07 130.86 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.856 0.36 . . . . 0.0 111.204 -179.135 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 640' ' ' VAL . . . . . . . . . . . . . 28.6 m -124.91 160.04 30.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.154 178.629 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 641' ' ' SER . . . . . . . . . . . . . 53.4 m -110.06 127.39 54.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.246 174.528 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 642' ' ' VAL . . . . . . . . . . . . . 61.8 t -109.61 111.25 35.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.2 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 643' ' ' LEU . . . . . . . . . . . . . 65.6 tp -103.51 120.1 40.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.183 -178.331 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 644' ' ' THR . . . . . . . . . . . . . 93.3 m -108.14 137.36 46.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.198 -177.618 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 89.3 tttt -56.15 120.85 8.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.21 -176.855 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 646' ' ' GLY . . . . . . . . . . . . . . . 74.43 15.09 80.48 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 172.892 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 647' ' ' ASN . . . . . . . . . . . . . 65.0 m-80 -134.77 157.75 45.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.835 0.35 . . . . 0.0 111.179 -178.145 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 648' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -65.12 137.46 57.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.198 179.241 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 649' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -65.05 137.01 57.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.229 179.046 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 650' ' ' THR . . . . . . . . . . . . . 96.8 m -120.05 133.56 55.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.2 179.598 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 651' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -100.75 137.07 39.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.231 -177.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 78.6 mt -124.68 147.48 48.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.213 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -133.46 177.77 7.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.174 -172.822 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 654' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -38.42 120.04 0.87 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.167 176.292 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 655' ' ' GLY . . . . . . . . . . . . . . . 109.64 -13.41 32.65 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.206 -0.757 . . . . 0.0 111.206 175.741 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 656' ' ' SER . . . . . . . . . . . . . 69.4 m -99.83 177.83 5.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.776 0.322 . . . . 0.0 111.207 -179.274 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 657' ' ' TYR . . . . . . . . . . . . . 25.9 p90 -152.78 167.96 27.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.23 179.786 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 658' ' ' PHE . . . . . . . . . . . . . 46.5 p90 -156.74 168.36 27.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.24 178.88 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 659' ' ' GLY . . . . . 0.502 ' O ' ' HB3' ' A' ' 662' ' ' CYS . . . 98.6 -2.4 58.82 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 -178.243 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 660' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -55.23 -50.08 70.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.833 0.349 . . . . 0.0 111.202 176.226 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 661' ' ' ILE . . . . . 0.414 ' HB ' ' CZ ' ' A' ' 669' ' ' ARG . 91.6 mt -63.25 -38.2 81.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.276 178.035 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 662' ' ' CYS . . . . . 0.502 ' HB3' ' O ' ' A' ' 659' ' ' GLY . 49.8 t -56.61 -44.13 80.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.215 178.135 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 663' ' ' LEU . . . . . . . . . . . . . 6.0 mp -68.38 -39.39 81.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.183 178.334 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 87.6 mt -67.98 -36.41 79.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.182 -178.176 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 665' ' ' THR . . . . . . . . . . . . . 55.5 p -100.66 -165.21 1.19 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.216 -176.055 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 666' ' ' ARG . . . . . . . . . . . . . 37.3 ptt180 -63.53 163.84 10.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.184 172.194 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . -65.09 -33.84 88.17 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 -178.64 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 75.3 mtp180 -83.09 70.0 9.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.784 0.326 . . . . 0.0 111.203 -178.253 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 669' ' ' ARG . . . . . 0.414 ' CZ ' ' HB ' ' A' ' 661' ' ' ILE . 79.5 ttt180 -67.01 140.21 57.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.218 179.332 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 670' ' ' THR . . . . . . . . . . . . . 37.4 p -83.35 58.36 4.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.192 178.787 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 671' ' ' ALA . . . . . . . . . . . . . . . -162.28 154.78 19.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.196 -179.701 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 672' ' ' SER . . . . . . . . . . . . . 94.9 p -131.31 155.79 46.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.184 179.509 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 673' ' ' VAL . . . . . . . . . . . . . 52.7 t -134.86 131.12 53.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.226 -178.835 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 674' ' ' ARG . . . . . 0.476 ' HD3' ' CZ ' ' A' ' 621' ' ' TYR . 56.4 ttp180 -133.21 133.68 43.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.208 -179.015 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 675' ' ' ALA . . . . . . . . . . . . . . . -73.39 132.79 43.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.176 179.153 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 676' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -87.07 -17.37 33.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.156 -178.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 13.7 t -160.8 -171.93 3.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.175 176.117 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 678' ' ' TYR . . . . . . . . . . . . . 91.3 t80 -57.67 118.97 5.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.233 173.885 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 679' ' ' CYS . . . . . 0.616 ' SG ' ' HB2' ' A' ' 616' ' ' PHE . 31.4 p -144.61 162.0 37.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.192 -175.486 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 680' ' ' ARG . . . . . 0.569 ' HG2' HG22 ' A' ' 615' ' ' VAL . 99.2 mtt180 -130.77 116.86 18.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.197 -175.477 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 681' ' ' LEU . . . . . . . . . . . . . 58.7 mt -114.27 154.32 28.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.18 -173.693 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 682' ' ' TYR . . . . . . . . . . . . . 55.8 m-85 -107.18 120.09 41.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.213 167.059 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 683' ' ' SER . . . . . . . . . . . . . 37.8 t -86.7 138.06 31.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.201 -176.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 684' ' ' LEU . . . . . 0.412 HD13 ' C ' ' A' ' 684' ' ' LEU . 3.0 tm? -143.86 110.04 5.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.192 177.881 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 76.5 p -81.48 154.38 26.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.202 -178.025 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 686' ' ' VAL . . . . . . . . . . . . . 6.4 p -60.22 -30.67 46.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.205 175.783 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 687' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -66.35 -43.38 86.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.195 175.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 688' ' ' ASN . . . . . 0.435 ' HB3' ' HB3' ' A' ' 610' ' ' LYS . 91.8 m-20 -62.53 -39.97 95.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.191 176.122 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 689' ' ' PHE . . . . . . . . . . . . . 89.3 t80 -60.37 -47.2 87.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.184 175.233 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 690' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -66.97 -34.34 77.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.199 -178.345 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 691' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -54.69 -46.61 74.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.221 178.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 692' ' ' VAL . . . . . . . . . . . . . 79.3 t -59.92 -40.09 81.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.22 177.528 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 693' ' ' LEU . . . . . . . . . . . . . 89.3 mt -64.79 -38.32 90.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.26 -179.73 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 694' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -69.89 -40.12 75.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.175 177.237 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 695' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -64.81 -42.07 95.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.172 -177.313 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 696' ' ' TYR . . . . . . . . . . . . . 88.9 m-85 -119.9 98.59 49.39 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.186 -177.773 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 697' ' ' PRO . . . . . . . . . . . . . 75.7 Cg_exo -54.54 -32.19 73.02 Favored 'Trans proline' 0 N--CA 1.458 -0.589 0 C-N-CA 121.684 1.589 . . . . 0.0 111.228 178.738 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 698' ' ' MET . . . . . . . . . . . . . 99.9 mmm -62.8 -32.37 73.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.174 -178.816 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 699' ' ' MET . . . . . . . . . . . . . 36.9 mmt -96.32 -19.58 19.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.206 179.335 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 700' ' ' ARG . . . . . . . . . . . . . 37.1 ttm180 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.204 179.476 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 586' ' ' CYS . . . . . . . . . . . . . 79.0 m . . . . . 0 CA--C 1.523 -0.076 0 CA-C-O 120.834 0.349 . . . . 0.0 111.233 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 587' ' ' ARG . . . . . . . . . . . . . 71.5 ttp85 -60.25 -40.49 90.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.207 176.138 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 588' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -65.45 -35.71 81.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.206 178.676 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 75.9 mt -64.59 -51.76 61.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.21 176.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 590' ' ' VAL . . . . . . . . . . . . . 66.0 t -58.62 -42.58 85.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.18 178.793 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 591' ' ' ALA . . . . . . . . . . . . . . . -69.79 -15.01 63.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.234 -175.071 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 75.6 m -61.06 -38.1 85.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.218 -179.296 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 593' ' ' MET . . . . . . . . . . . . . 10.9 tpt -68.2 121.27 79.6 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.199 175.733 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_exo -51.01 -41.47 56.46 Favored 'Trans proline' 0 N--CA 1.458 -0.563 0 C-N-CA 121.698 1.598 . . . . 0.0 111.176 -178.137 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 595' ' ' LEU . . . . . . . . . . . . . 5.9 mp -64.81 -28.3 69.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.183 -177.853 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 596' ' ' PHE . . . . . . . . . . . . . 14.8 m-30 -88.99 -25.91 21.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.195 179.642 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 597' ' ' ALA . . . . . . . . . . . . . . . -68.21 -36.08 78.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.147 173.066 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 598' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -71.41 -24.18 62.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.227 175.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 599' ' ' ALA . . . . . . . . . . . . . . . -70.05 155.13 41.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.217 177.718 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 600' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -57.67 147.52 61.08 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.176 -179.174 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 601' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_exo -51.99 -36.21 63.92 Favored 'Trans proline' 0 N--CA 1.458 -0.611 0 C-N-CA 121.709 1.606 . . . . 0.0 111.226 175.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 602' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -70.22 -38.32 75.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.141 178.301 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 603' ' ' PHE . . . . . . . . . . . . . 12.8 m-30 -60.74 -40.73 93.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.19 174.467 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 604' ' ' VAL . . . . . . . . . . . . . 67.5 t -60.42 -49.61 83.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.172 177.02 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 605' ' ' THR . . . . . . . . . . . . . 96.8 m -55.02 -46.62 75.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.196 175.576 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 606' ' ' SER . . . . . . . . . . . . . 72.9 m -60.04 -46.11 90.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.201 -179.079 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 68.9 mtm -60.02 -40.18 88.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.206 177.476 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 608' ' ' LEU . . . . . 0.795 ' O ' HD23 ' A' ' 608' ' ' LEU . 3.3 tt -53.66 -40.26 65.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.247 178.509 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 609' ' ' THR . . . . . . . . . . . . . 69.2 p -84.72 -8.63 58.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.185 -174.797 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 610' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -99.49 5.01 46.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.164 176.158 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 611' ' ' LEU . . . . . . . . . . . . . 92.8 mt -66.29 148.16 52.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.177 176.626 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 612' ' ' ARG . . . . . . . . . . . . . 74.3 ttt180 -113.03 123.7 50.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.168 171.131 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 613' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -80.08 106.31 12.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.163 -174.712 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -115.12 115.63 27.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.184 -175.568 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 615' ' ' VAL . . . . . . . . . . . . . 94.2 t -96.19 140.82 16.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.236 178.725 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 616' ' ' PHE . . . . . . . . . . . . . 99.4 m-85 -130.61 143.79 50.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.122 -175.345 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 617' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -100.81 161.83 22.59 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.23 178.101 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 618' ' ' PRO . . . . . . . . . . . . . 79.4 Cg_exo -52.32 121.57 9.2 Favored 'Trans proline' 0 N--CA 1.458 -0.613 0 C-N-CA 121.72 1.613 . . . . 0.0 111.21 175.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 619' ' ' GLY . . . . . . . . . . . . . . . 96.81 -16.54 60.81 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.176 -0.77 . . . . 0.0 111.176 178.014 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 620' ' ' ASP . . . . . . . . . . . . . 59.3 t0 -70.16 129.32 39.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.843 0.354 . . . . 0.0 111.214 -179.399 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 621' ' ' TYR . . . . . 0.414 ' CZ ' ' HD3' ' A' ' 674' ' ' ARG . 57.6 m-85 -82.8 138.08 34.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.204 -177.199 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 622' ' ' ILE . . . . . . . . . . . . . 75.3 mt -101.72 -44.89 10.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.233 177.523 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 623' ' ' ILE . . . . . . . . . . . . . 70.4 mt -129.96 139.14 52.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.18 177.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 34.6 mmt180 -105.75 140.71 38.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.222 176.856 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 625' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -71.64 134.77 46.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.233 178.023 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 626' ' ' GLY . . . . . . . . . . . . . . . 88.69 12.97 63.61 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.234 -0.746 . . . . 0.0 111.234 176.059 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 627' ' ' THR . . . . . . . . . . . . . 47.2 p -117.38 165.27 13.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.83 0.348 . . . . 0.0 111.17 179.099 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 628' ' ' ILE . . . . . 0.407 ' HA ' ' HA ' ' A' ' 668' ' ' ARG . 97.1 mt -66.61 129.49 31.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.165 -178.616 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 629' ' ' GLY . . . . . . . . . . . . . . . -127.55 107.97 0.92 Allowed Glycine 0 CA--C 1.523 0.559 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 179.647 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 630' ' ' LYS . . . . . . . . . . . . . 23.1 pttp -141.33 33.1 1.69 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.8 0.333 . . . . 0.0 111.237 -178.721 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 631' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -129.99 137.96 50.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.192 175.661 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 632' ' ' MET . . . . . . . . . . . . . 90.1 mmm -78.45 145.19 35.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.207 167.311 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 633' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -128.25 125.74 39.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.189 175.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 634' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -117.74 134.14 55.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.184 178.761 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 635' ' ' ILE . . . . . . . . . . . . . 66.1 mt -98.94 113.54 34.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.149 -172.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 -89.94 -40.06 12.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.209 177.06 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 637' ' ' HIS . . . . . . . . . . . . . 99.5 m-70 -141.53 151.15 43.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.224 174.385 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 638' ' ' GLY . . . . . . . . . . . . . . . 99.08 175.55 31.81 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 168.257 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 639' ' ' VAL . . . . . . . . . . . . . 89.7 t -123.21 136.56 59.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.774 0.321 . . . . 0.0 111.197 -178.052 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 640' ' ' VAL . . . . . . . . . . . . . 25.1 m -127.73 159.94 37.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.196 177.182 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 641' ' ' SER . . . . . . . . . . . . . 48.4 m -113.75 127.63 56.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.216 173.614 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 642' ' ' VAL . . . . . . . . . . . . . 86.3 t -109.88 111.59 36.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.21 179.488 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 643' ' ' LEU . . . . . . . . . . . . . 64.9 tp -107.81 120.06 41.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.207 -177.197 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 644' ' ' THR . . . . . . . . . . . . . 93.9 m -109.7 138.15 46.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.15 -178.525 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -54.11 119.79 5.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.2 -175.805 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 646' ' ' GLY . . . . . . . . . . . . . . . 74.51 15.19 80.54 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.196 -0.761 . . . . 0.0 111.196 172.73 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 647' ' ' ASN . . . . . . . . . . . . . 65.1 m-80 -133.01 157.27 45.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.838 0.351 . . . . 0.0 111.203 -177.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 648' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -65.07 136.86 57.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.209 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 649' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -65.23 137.4 57.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.18 178.434 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 650' ' ' THR . . . . . . . . . . . . . 98.3 m -109.76 130.45 55.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.18 -179.392 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 651' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -95.57 124.38 39.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.164 179.515 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 88.4 mt -122.6 148.88 44.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.219 -177.532 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -142.88 -169.55 3.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.204 -174.29 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 654' ' ' ASP . . . . . . . . . . . . . 64.2 t0 -44.83 120.93 2.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.238 176.046 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 655' ' ' GLY . . . . . . . . . . . . . . . 99.57 -4.95 58.32 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 176.853 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 656' ' ' SER . . . . . . . . . . . . . 48.1 m -96.03 174.37 6.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.794 0.33 . . . . 0.0 111.201 179.316 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 657' ' ' TYR . . . . . . . . . . . . . 34.3 p90 -158.9 168.55 26.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.196 178.192 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 658' ' ' PHE . . . . . . . . . . . . . 41.7 p90 -159.6 163.19 35.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.142 177.886 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 659' ' ' GLY . . . . . 0.555 ' O ' ' HB2' ' A' ' 662' ' ' CYS . . . 111.77 17.56 8.45 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.147 -0.781 . . . . 0.0 111.147 -176.798 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 660' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -55.94 -35.96 67.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.809 0.338 . . . . 0.0 111.235 -178.053 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 661' ' ' ILE . . . . . 0.429 HD12 HH21 ' A' ' 669' ' ' ARG . 94.5 mt -69.28 -28.42 38.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.228 179.042 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 662' ' ' CYS . . . . . 0.555 ' HB2' ' O ' ' A' ' 659' ' ' GLY . 91.5 m -64.61 -23.68 67.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.194 -173.725 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 663' ' ' LEU . . . . . . . . . . . . . 96.4 mt -81.68 -18.98 42.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.249 178.187 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 85.2 mt -107.5 -19.03 13.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.238 -174.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 665' ' ' THR . . . . . . . . . . . . . 89.8 m -129.44 129.98 45.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.187 -178.815 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 666' ' ' ARG . . . . . . . . . . . . . 69.1 ttt180 -109.93 50.05 0.81 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.188 -178.609 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . -152.21 -153.26 6.2 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 -177.433 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 668' ' ' ARG . . . . . 0.407 ' HA ' ' HA ' ' A' ' 628' ' ' ILE . 96.8 mtt-85 -79.41 144.56 34.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.746 0.308 . . . . 0.0 111.211 -177.539 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 669' ' ' ARG . . . . . 0.429 HH21 HD12 ' A' ' 661' ' ' ILE . 31.9 mtp-105 -120.01 155.53 32.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.168 -178.722 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 670' ' ' THR . . . . . . . . . . . . . 45.1 p -104.9 55.13 0.71 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.22 -177.25 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 671' ' ' ALA . . . . . . . . . . . . . . . -154.97 154.37 32.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.18 178.413 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 672' ' ' SER . . . . . . . . . . . . . 96.2 p -132.81 155.11 49.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.205 179.207 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 673' ' ' VAL . . . . . . . . . . . . . 61.3 t -135.72 132.37 51.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.203 -179.42 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 674' ' ' ARG . . . . . 0.414 ' HD3' ' CZ ' ' A' ' 621' ' ' TYR . 57.1 ttp180 -132.29 135.0 45.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.204 -178.876 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 675' ' ' ALA . . . . . . . . . . . . . . . -76.39 140.29 41.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.228 -179.204 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 676' ' ' ASP . . . . . . . . . . . . . 64.6 m-20 -102.44 -32.92 9.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.159 -178.606 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 677' ' ' THR . . . . . 0.469 ' O ' ' SG ' ' A' ' 679' ' ' CYS . 33.6 p -125.76 -179.18 4.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.243 179.772 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 678' ' ' TYR . . . . . . . . . . . . . 74.5 t80 -60.16 100.08 0.09 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.236 167.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 679' ' ' CYS . . . . . 0.469 ' SG ' ' O ' ' A' ' 677' ' ' THR . 72.0 m -110.21 145.05 37.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.204 -168.037 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 680' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -122.87 107.25 11.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.166 175.605 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 681' ' ' LEU . . . . . . . . . . . . . 6.1 mp -117.88 159.98 22.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.164 -172.537 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 682' ' ' TYR . . . . . . . . . . . . . 87.5 m-85 -125.03 124.41 41.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.243 173.491 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 683' ' ' SER . . . . . . . . . . . . . 96.7 p -98.04 151.72 20.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.218 -178.105 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 684' ' ' LEU . . . . . . . . . . . . . 50.5 tp -148.87 106.52 3.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.2 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 82.6 p -70.31 156.62 39.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.208 -175.706 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 686' ' ' VAL . . . . . . . . . . . . . 29.1 m -62.9 -26.44 40.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.246 172.652 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 687' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -64.73 -44.26 90.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.171 175.223 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 688' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -63.16 -43.62 97.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.196 176.237 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 689' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -58.41 -43.33 88.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.174 176.041 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 690' ' ' ASN . . . . . . . . . . . . . 99.8 m-20 -60.21 -43.01 96.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.197 178.46 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 691' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -59.25 -41.06 87.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.188 177.668 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 692' ' ' VAL . . . . . . . . . . . . . 53.1 t -64.91 -44.51 96.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.196 177.508 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 693' ' ' LEU . . . . . . . . . . . . . 95.4 mt -64.68 -32.3 73.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.218 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 694' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -86.87 9.1 20.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.184 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 695' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -69.85 -43.94 70.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.204 176.122 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 696' ' ' TYR . . . . . . . . . . . . . 19.9 m-30 -100.13 124.71 42.37 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.19 178.03 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 697' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_exo -54.33 -37.1 88.7 Favored 'Trans proline' 0 N--CA 1.458 -0.596 0 C-N-CA 121.745 1.63 . . . . 0.0 111.175 178.53 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 698' ' ' MET . . . . . . . . . . . . . 99.7 mmm -65.34 -28.49 69.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.209 -176.168 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 699' ' ' MET . . . . . . . . . . . . . 98.4 mmm -118.52 18.57 13.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.198 -178.308 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 700' ' ' ARG . . . . . . . . . . . . . 63.6 ttm-85 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.151 -169.275 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 586' ' ' CYS . . . . . . . . . . . . . 91.1 m . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.788 0.328 . . . . 0.0 111.218 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 587' ' ' ARG . . . . . 0.462 ' HB3' HD11 ' A' ' 608' ' ' LEU . 34.4 ptt-85 -60.24 -25.9 66.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.235 176.573 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 588' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -65.97 -34.67 78.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.232 175.256 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 91.7 mt -72.81 -47.44 46.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.226 177.429 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 590' ' ' VAL . . . . . . . . . . . . . 66.9 t -55.95 -46.29 80.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.175 177.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 591' ' ' ALA . . . . . . . . . . . . . . . -79.49 0.62 28.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.215 -173.001 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 73.7 m -65.17 -32.0 73.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.166 175.295 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 593' ' ' MET . . . . . 0.435 ' SD ' ' SD ' ' A' ' 632' ' ' MET . 24.9 ttt -77.72 130.19 74.3 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.196 175.272 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 80.1 Cg_exo -52.85 -43.66 54.48 Favored 'Trans proline' 0 N--CA 1.457 -0.644 0 C-N-CA 121.694 1.596 . . . . 0.0 111.227 179.628 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 595' ' ' LEU . . . . . . . . . . . . . 63.8 tp -59.96 -48.32 82.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.16 178.697 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 596' ' ' PHE . . . . . . . . . . . . . 14.2 m-30 -71.31 -24.17 62.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.175 -176.734 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 597' ' ' ALA . . . . . . . . . . . . . . . -71.23 -39.62 71.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.236 173.134 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 598' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -70.39 -27.82 64.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.199 174.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 599' ' ' ALA . . . . . . . . . . . . . . . -61.41 145.88 50.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.204 176.706 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 600' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -59.79 149.96 70.07 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.157 -176.618 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 601' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_exo -51.95 -34.47 56.56 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 121.702 1.602 . . . . 0.0 111.219 175.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 602' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -66.28 -36.04 81.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.226 176.439 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 603' ' ' PHE . . . . . . . . . . . . . 17.1 m-30 -70.08 -32.92 71.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.188 178.487 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 604' ' ' VAL . . . . . . . . . . . . . 76.0 t -63.1 -50.07 80.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.212 173.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 605' ' ' THR . . . . . . . . . . . . . 97.9 m -53.34 -47.61 69.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.206 174.68 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 606' ' ' SER . . . . . . . . . . . . . 73.3 m -58.1 -45.32 87.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.204 179.437 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 72.0 mtm -65.05 -32.17 73.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.228 178.642 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 608' ' ' LEU . . . . . 0.462 HD11 ' HB3' ' A' ' 587' ' ' ARG . 73.8 mt -68.14 -33.25 74.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.241 177.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 609' ' ' THR . . . . . . . . . . . . . 81.3 p -81.06 -21.29 40.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.222 176.714 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 610' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -95.31 0.36 53.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.22 172.04 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 611' ' ' LEU . . . . . . . . . . . . . 30.7 tp -68.79 132.19 46.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.213 -176.734 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 612' ' ' ARG . . . . . . . . . . . . . 90.9 mtt180 -105.98 149.84 26.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.22 173.042 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 613' ' ' PHE . . . . . . . . . . . . . 36.2 t80 -123.98 137.63 54.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.2 177.903 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 71.7 tt0 -148.74 132.1 16.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.16 -179.556 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 615' ' ' VAL . . . . . 0.478 HG22 ' HG2' ' A' ' 680' ' ' ARG . 95.4 t -96.55 125.0 49.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.198 175.206 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 616' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -101.53 141.42 34.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.171 -178.848 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 617' ' ' GLN . . . . . . . . . . . . . 87.4 mt-30 -87.4 161.17 46.52 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.225 -177.827 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 618' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -55.06 121.66 10.3 Favored 'Trans proline' 0 N--CA 1.458 -0.578 0 C-N-CA 121.689 1.592 . . . . 0.0 111.197 176.781 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 619' ' ' GLY . . . . . . . . . . . . . . . 92.67 -8.38 76.77 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 176.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 620' ' ' ASP . . . . . . . . . . . . . 61.1 t0 -70.23 125.33 26.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.812 0.339 . . . . 0.0 111.152 -179.615 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 621' ' ' TYR . . . . . . . . . . . . . 69.6 m-85 -77.32 135.95 38.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.181 179.774 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 622' ' ' ILE . . . . . . . . . . . . . 71.1 mt -105.47 -45.41 8.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.192 -178.73 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 623' ' ' ILE . . . . . . . . . . . . . 67.2 mt -131.56 134.14 60.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.211 178.819 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -100.74 134.19 44.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.168 175.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 625' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -69.24 138.36 53.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.179 178.07 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 626' ' ' GLY . . . . . . . . . . . . . . . 89.55 16.1 57.41 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.179 -0.768 . . . . 0.0 111.179 176.114 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 627' ' ' THR . . . . . . . . . . . . . 52.8 p -117.99 160.07 22.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.81 0.338 . . . . 0.0 111.168 177.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 628' ' ' ILE . . . . . . . . . . . . . 72.1 mt -99.25 79.87 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.222 -179.653 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 629' ' ' GLY . . . . . . . . . . . . . . . -74.68 154.55 47.24 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 177.614 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 630' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -130.08 16.98 5.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.81 0.338 . . . . 0.0 111.199 178.163 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 631' ' ' LYS . . . . . . . . . . . . . 12.0 mptt -120.04 139.94 51.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.182 -177.487 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 632' ' ' MET . . . . . 0.435 ' SD ' ' SD ' ' A' ' 593' ' ' MET . 27.5 ttt -112.94 138.44 49.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.216 174.366 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 633' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -113.87 139.42 49.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.168 -169.87 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 634' ' ' PHE . . . . . . . . . . . . . 86.2 m-85 -120.73 136.61 54.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.164 174.045 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 635' ' ' ILE . . . . . . . . . . . . . 71.7 mt -99.18 114.91 38.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.175 -171.765 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 48.0 tt0 -92.8 -41.82 9.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.209 176.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 637' ' ' HIS . . . . . . . . . . . . . 50.4 m80 -142.85 150.93 40.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.223 174.781 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 638' ' ' GLY . . . . . . . . . . . . . . . 97.9 177.78 33.52 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 173.215 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 639' ' ' VAL . . . . . . . . . . . . . 97.6 t -128.8 134.98 63.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.825 0.345 . . . . 0.0 111.195 -177.177 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 640' ' ' VAL . . . . . . . . . . . . . 28.3 m -120.17 157.65 22.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.222 174.708 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 641' ' ' SER . . . . . . . . . . . . . 53.6 m -109.92 126.49 53.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.232 175.037 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 642' ' ' VAL . . . . . 0.431 HG22 HG22 ' A' ' 673' ' ' VAL . 59.4 t -110.99 114.34 46.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.197 -179.786 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 643' ' ' LEU . . . . . . . . . . . . . 65.3 tp -105.52 118.57 36.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.168 -179.232 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 644' ' ' THR . . . . . . . . . . . . . 94.8 m -104.5 138.63 40.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.165 -176.253 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 89.1 tttt -56.61 120.1 7.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.22 -176.733 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 646' ' ' GLY . . . . . . . . . . . . . . . 79.39 7.48 88.45 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.189 -0.765 . . . . 0.0 111.189 173.012 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 647' ' ' ASN . . . . . . . . . . . . . 67.8 m-80 -130.7 159.9 35.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.783 0.325 . . . . 0.0 111.22 -176.31 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 648' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -68.59 148.31 50.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.149 179.8 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 649' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -69.89 138.85 52.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.212 -179.324 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 650' ' ' THR . . . . . . . . . . . . . 93.7 m -125.58 138.99 53.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.189 177.43 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 651' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -102.63 144.5 30.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.234 -176.419 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 86.7 mt -126.7 148.23 49.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.241 179.786 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -141.06 -171.07 3.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.186 -172.417 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 654' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -41.76 119.88 1.39 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.177 178.19 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 655' ' ' GLY . . . . . . . . . . . . . . . 100.57 -2.45 55.97 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.179 -0.768 . . . . 0.0 111.179 175.73 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 656' ' ' SER . . . . . . . . . . . . . 45.6 m -99.4 175.29 5.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.795 0.331 . . . . 0.0 111.226 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 657' ' ' TYR . . . . . . . . . . . . . 50.1 p90 -159.88 162.14 34.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.153 -179.741 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 658' ' ' PHE . . . . . . . . . . . . . 52.9 p90 -159.68 171.89 18.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.178 -178.836 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 659' ' ' GLY . . . . . 0.438 ' O ' ' HB2' ' A' ' 662' ' ' CYS . . . 88.72 10.36 67.35 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 177.84 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 660' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -56.4 -33.11 65.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.759 0.314 . . . . 0.0 111.22 -179.152 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 661' ' ' ILE . . . . . 0.456 ' HB ' HH11 ' A' ' 669' ' ' ARG . 91.2 mt -57.97 -35.88 53.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.177 179.005 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 662' ' ' CYS . . . . . 0.438 ' HB2' ' O ' ' A' ' 659' ' ' GLY . 99.4 m -59.97 -32.16 70.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.193 -176.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 663' ' ' LEU . . . . . . . . . . . . . 7.5 mp -95.57 -33.42 12.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.235 -177.343 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 97.2 mt -78.98 -31.31 44.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.172 -174.27 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 665' ' ' THR . . . . . . . . . . . . . 29.9 p -118.88 179.94 4.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.195 -175.816 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 666' ' ' ARG . . . . . . . . . . . . . 89.9 mmt-85 -134.54 53.43 2.0 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.19 -178.677 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . -155.68 -164.77 13.53 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 -176.28 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 90.0 mtm180 -79.31 143.36 35.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.832 0.349 . . . . 0.0 111.197 -177.874 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 669' ' ' ARG . . . . . 0.456 HH11 ' HB ' ' A' ' 661' ' ' ILE . 56.4 ttt85 -89.95 134.2 34.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.2 176.893 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 670' ' ' THR . . . . . . . . . . . . . 40.4 p -95.54 42.1 1.09 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.187 -176.784 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 671' ' ' ALA . . . . . . . . . . . . . . . -158.04 155.44 29.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.238 179.038 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 672' ' ' SER . . . . . . . . . . . . . 94.0 p -126.6 154.66 43.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.22 177.31 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 673' ' ' VAL . . . . . 0.431 HG22 HG22 ' A' ' 642' ' ' VAL . 46.3 t -134.85 131.63 53.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.212 -176.06 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 674' ' ' ARG . . . . . . . . . . . . . 58.6 ttp180 -134.33 137.29 44.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.184 179.185 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 675' ' ' ALA . . . . . . . . . . . . . . . -76.31 134.97 39.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.19 -178.495 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 676' ' ' ASP . . . . . . . . . . . . . 69.4 m-20 -90.92 -20.33 22.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.245 -177.901 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 14.9 t -151.11 -166.93 2.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.18 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 678' ' ' TYR . . . . . . . . . . . . . 81.5 m-85 -70.05 94.34 0.87 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.205 173.605 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 679' ' ' CYS . . . . . . . . . . . . . 84.7 m -106.15 142.18 36.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.211 -168.709 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 680' ' ' ARG . . . . . 0.478 ' HG2' HG22 ' A' ' 615' ' ' VAL . 99.9 mtt180 -109.26 102.79 11.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.165 -178.738 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 681' ' ' LEU . . . . . . . . . . . . . 7.2 mp -118.1 150.85 38.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.181 -170.511 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 682' ' ' TYR . . . . . . . . . . . . . 68.2 m-85 -117.33 143.93 45.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.214 176.151 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 683' ' ' SER . . . . . . . . . . . . . 40.8 t -120.95 130.97 54.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.177 -170.167 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 684' ' ' LEU . . . . . . . . . . . . . 83.7 mt -126.2 127.57 45.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.182 167.27 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 75.2 p -88.86 154.39 20.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.206 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 686' ' ' VAL . . . . . . . . . . . . . 8.4 p -62.74 -30.08 48.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.19 175.35 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 687' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -64.18 -45.37 88.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.192 175.293 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 688' ' ' ASN . . . . . . . . . . . . . 96.8 m-20 -60.18 -45.46 93.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.192 177.139 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 689' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -61.96 -41.52 98.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.153 179.135 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 690' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -59.28 -42.64 91.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.174 176.639 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 691' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -60.65 -44.77 96.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.173 175.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 692' ' ' VAL . . . . . . . . . . . . . 55.3 t -56.26 -40.83 68.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.184 178.432 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 693' ' ' LEU . . . . . . . . . . . . . 85.8 mt -67.25 -44.2 80.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.18 175.814 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 694' ' ' GLU . . . . . 0.493 ' HA ' ' HE ' ' A' ' 700' ' ' ARG . 95.5 mt-10 -61.15 -29.73 69.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.234 -176.222 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 695' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -52.92 -37.49 60.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.215 179.511 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 696' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -109.77 103.32 52.94 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.249 175.495 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 697' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_exo -53.24 -37.32 80.39 Favored 'Trans proline' 0 N--CA 1.459 -0.546 0 C-N-CA 121.7 1.6 . . . . 0.0 111.179 -173.564 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 698' ' ' MET . . . . . . . . . . . . . 61.3 tpp -53.36 -60.04 3.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.205 178.535 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 699' ' ' MET . . . . . . . . . . . . . 96.5 mmm -67.6 -30.27 69.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.19 -179.506 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 700' ' ' ARG . . . . . 0.493 ' HE ' ' HA ' ' A' ' 694' ' ' GLU . 22.8 ttm180 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.185 176.647 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 586' ' ' CYS . . . . . . . . . . . . . 62.7 m . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.8 0.333 . . . . 0.0 111.213 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 587' ' ' ARG . . . . . 0.491 ' HG2' HD13 ' A' ' 608' ' ' LEU . 99.9 mtt180 -59.36 -44.1 92.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.164 177.593 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 588' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -68.14 -34.94 77.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.169 179.2 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 66.3 tp -58.68 -48.68 80.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.177 177.502 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 590' ' ' VAL . . . . . . . . . . . . . 75.6 t -67.84 -41.45 85.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.173 177.774 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 591' ' ' ALA . . . . . . . . . . . . . . . -59.78 -33.59 71.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.183 178.844 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 79.1 p -84.08 -9.17 58.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.196 -178.877 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 593' ' ' MET . . . . . . . . . . . . . 56.8 ttm -62.19 136.24 95.37 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.15 178.469 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_exo -48.77 -44.0 32.85 Favored 'Trans proline' 0 N--CA 1.458 -0.568 0 C-N-CA 121.662 1.575 . . . . 0.0 111.229 -179.491 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 595' ' ' LEU . . . . . . . . . . . . . 57.5 tp -54.81 -38.78 67.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.201 -179.396 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 596' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -108.14 10.53 28.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.189 -173.878 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 597' ' ' ALA . . . . . . . . . . . . . . . -59.88 -42.38 93.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.181 -173.378 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 598' ' ' ASN . . . . . . . . . . . . . 72.8 m-80 -105.86 13.81 28.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.179 -179.119 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 599' ' ' ALA . . . . . . . . . . . . . . . -80.48 146.58 31.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.201 -179.656 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 600' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -62.57 135.1 95.41 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.198 178.44 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 601' ' ' PRO . . . . . . . . . . . . . 69.5 Cg_exo -49.22 -39.06 42.54 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 121.69 1.593 . . . . 0.0 111.182 -179.467 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 602' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -72.05 -42.93 65.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.187 -179.043 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 603' ' ' PHE . . . . . . . . . . . . . 70.8 t80 -52.21 -50.57 61.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.213 173.888 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 604' ' ' VAL . . . . . . . . . . . . . 70.1 t -62.43 -51.18 75.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.218 -179.242 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 605' ' ' THR . . . . . . . . . . . . . 84.7 m -50.16 -42.14 50.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.23 -179.092 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 606' ' ' SER . . . . . . . . . . . . . 46.7 t -64.86 -46.77 80.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.212 177.402 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 98.1 mmm -61.48 -28.76 69.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.185 -179.718 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 608' ' ' LEU . . . . . 0.491 HD13 ' HG2' ' A' ' 587' ' ' ARG . 80.9 mt -69.77 -13.81 62.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.139 -177.16 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 609' ' ' THR . . . . . . . . . . . . . 80.5 p -103.81 4.88 35.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.223 175.677 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 610' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -103.71 -3.79 24.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.197 177.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 611' ' ' LEU . . . . . 0.492 HD23 HD21 ' A' ' 684' ' ' LEU . 25.0 mt -59.86 130.6 47.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.227 -175.479 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 612' ' ' ARG . . . . . . . . . . . . . 94.5 mtt-85 -109.66 99.72 8.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.199 174.112 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 613' ' ' PHE . . . . . . . . . . . . . 49.8 m-85 -80.82 152.28 28.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.184 -170.606 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -161.22 134.12 6.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.198 175.728 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 615' ' ' VAL . . . . . . . . . . . . . 97.4 t -92.92 142.74 12.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.216 -179.215 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 616' ' ' PHE . . . . . 0.496 ' HB2' ' SG ' ' A' ' 679' ' ' CYS . 96.6 m-85 -129.99 144.61 51.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.235 -176.858 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 617' ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -101.58 162.64 19.83 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.208 175.631 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 618' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_exo -51.78 127.0 21.42 Favored 'Trans proline' 0 N--CA 1.458 -0.589 0 C-N-CA 121.718 1.612 . . . . 0.0 111.186 177.393 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 619' ' ' GLY . . . . . . . . . . . . . . . 99.88 -19.99 51.0 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.206 -0.758 . . . . 0.0 111.206 176.545 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 620' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -67.41 136.6 54.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.788 0.327 . . . . 0.0 111.185 -178.403 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 621' ' ' TYR . . . . . . . . . . . . . 59.2 m-85 -92.59 140.69 29.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.199 -179.049 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 622' ' ' ILE . . . . . . . . . . . . . 5.2 mp -107.57 -40.02 4.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.179 176.178 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 623' ' ' ILE . . . . . . . . . . . . . 62.7 mt -131.11 140.65 48.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.213 177.44 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 96.6 mtt-85 -121.68 127.0 50.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.206 174.522 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 625' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -58.34 133.08 55.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.195 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 626' ' ' GLY . . . . . . . . . . . . . . . 98.49 -21.44 45.97 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 179.336 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 627' ' ' THR . . . . . . . . . . . . . 97.1 m -75.55 139.54 42.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.764 0.316 . . . . 0.0 111.235 -179.679 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 628' ' ' ILE . . . . . . . . . . . . . 95.9 mt -81.71 125.25 39.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.214 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 629' ' ' GLY . . . . . . . . . . . . . . . -178.07 136.67 3.07 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 179.191 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 630' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -119.81 48.39 1.55 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.846 0.355 . . . . 0.0 111.232 -179.666 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 631' ' ' LYS . . . . . 0.574 ' H ' ' NH2' ' A' ' 669' ' ' ARG . 98.2 mttt -118.27 135.12 54.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.216 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 632' ' ' MET . . . . . . . . . . . . . 92.7 mtp -90.55 146.16 24.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.183 175.069 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 633' ' ' TYR . . . . . . . . . . . . . 91.0 m-85 -119.35 133.57 55.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.206 -178.805 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 634' ' ' PHE . . . . . . . . . . . . . 34.3 m-85 -121.31 134.84 55.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.185 -177.745 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 635' ' ' ILE . . . . . 0.403 ' HA ' ' HG ' ' A' ' 681' ' ' LEU . 84.1 mt -88.04 113.28 24.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.237 -173.737 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 71.6 tp60 -75.9 -40.02 55.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.185 176.366 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 637' ' ' HIS . . . . . . . . . . . . . 35.3 p80 -169.96 160.66 8.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.203 171.81 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 638' ' ' GLY . . . . . . . . . . . . . . . 101.2 -177.21 27.34 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 -179.544 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 639' ' ' VAL . . . . . . . . . . . . . 94.4 t -117.47 123.36 71.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.772 0.32 . . . . 0.0 111.174 -176.653 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 640' ' ' VAL . . . . . . . . . . . . . 73.9 t -126.61 130.75 71.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.193 -179.243 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 641' ' ' SER . . . . . . . . . . . . . 31.0 t -93.39 132.34 37.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.169 -175.624 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 642' ' ' VAL . . . . . . . . . . . . . 88.8 t -118.07 122.52 69.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.191 179.464 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 643' ' ' LEU . . . . . . . . . . . . . 65.6 tp -115.13 112.6 22.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.206 178.085 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 644' ' ' THR . . . . . . . . . . . . . 93.8 m -99.7 139.86 34.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.153 -175.752 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 89.0 tttt -53.35 119.28 4.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.228 -176.582 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 646' ' ' GLY . . . . . . . . . . . . . . . 85.02 5.03 86.46 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.204 -0.759 . . . . 0.0 111.204 173.082 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 647' ' ' ASN . . . . . . . . . . . . . 70.5 m-80 -125.79 155.72 40.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.807 0.337 . . . . 0.0 111.228 -178.494 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 648' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -65.77 150.7 48.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.175 -179.748 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 649' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -65.36 133.35 51.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.187 178.615 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 650' ' ' THR . . . . . . . . . . . . . 58.2 p -125.27 164.85 19.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.19 178.366 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 651' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -125.22 139.37 53.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.224 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 90.0 mt -121.53 156.24 33.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.184 177.502 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -136.3 -172.77 3.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.22 -175.247 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 654' ' ' ASP . . . . . . . . . . . . . 68.2 t0 -44.76 123.69 3.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.178 179.477 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 655' ' ' GLY . . . . . . . . . . . . . . . 103.19 -16.66 53.23 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.232 -0.747 . . . . 0.0 111.232 173.547 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 656' ' ' SER . . . . . . . . . . . . . 74.6 m -89.84 169.75 10.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.79 0.329 . . . . 0.0 111.209 179.129 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 657' ' ' TYR . . . . . . . . . . . . . 44.8 p90 -154.91 170.0 22.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.208 -177.796 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 658' ' ' PHE . . . . . . . . . . . . . 34.7 p90 -158.46 163.34 37.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.231 -178.23 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 659' ' ' GLY . . . . . . . . . . . . . . . 110.17 -12.92 31.38 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 -177.62 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 660' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -54.96 -42.72 72.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.825 0.345 . . . . 0.0 111.256 -179.569 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 661' ' ' ILE . . . . . . . . . . . . . 97.1 mt -70.95 -37.93 70.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.184 178.487 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 662' ' ' CYS . . . . . . . . . . . . . 90.7 m -60.94 -35.44 76.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.199 -177.468 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 663' ' ' LEU . . . . . . . . . . . . . 7.1 mp -64.54 -19.94 65.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.173 177.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 86.3 mt -92.34 4.95 52.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.265 -176.393 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 665' ' ' THR . . . . . . . . . . . . . 30.1 p -91.91 -169.97 2.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.195 178.369 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 666' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -84.12 2.18 40.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.176 178.262 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 131.34 -33.85 2.71 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.165 -0.774 . . . . 0.0 111.165 175.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 83.7 mtp180 -80.8 141.97 34.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.853 0.359 . . . . 0.0 111.194 178.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 669' ' ' ARG . . . . . 0.574 ' NH2' ' H ' ' A' ' 631' ' ' LYS . 29.5 mmt180 -71.51 145.63 49.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.206 179.748 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 670' ' ' THR . . . . . . . . . . . . . 58.0 p -111.92 24.45 12.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.169 177.324 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 671' ' ' ALA . . . . . . . . . . . . . . . -155.57 158.62 38.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.175 -178.515 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 672' ' ' SER . . . . . . . . . . . . . 59.8 m -121.07 136.81 54.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.211 173.096 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 673' ' ' VAL . . . . . . . . . . . . . 64.9 t -133.25 134.13 57.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.227 -171.713 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 674' ' ' ARG . . . . . . . . . . . . . 37.8 ptt180 -147.45 153.51 39.66 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.234 178.772 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 675' ' ' ALA . . . . . . . . . . . . . . . -80.7 139.4 36.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.176 -175.318 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 676' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -95.95 -35.39 11.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.183 175.815 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 44.7 p -127.79 165.18 20.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.254 176.114 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 678' ' ' TYR . . . . . . . . . . . . . 67.3 t80 -56.07 112.89 1.32 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.18 174.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 679' ' ' CYS . . . . . 0.496 ' SG ' ' HB2' ' A' ' 616' ' ' PHE . 31.6 p -138.47 170.0 16.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.216 -164.839 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 680' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -138.95 133.96 32.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.251 176.553 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 681' ' ' LEU . . . . . 0.403 ' HG ' ' HA ' ' A' ' 635' ' ' ILE . 4.7 mp -127.9 173.76 9.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.213 -178.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 682' ' ' TYR . . . . . . . . . . . . . 32.1 p90 -145.07 149.39 34.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.216 167.597 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 683' ' ' SER . . . . . . . . . . . . . 28.8 t -112.67 145.32 40.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.18 -168.879 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 684' ' ' LEU . . . . . 0.492 HD21 HD23 ' A' ' 611' ' ' LEU . 78.6 mt -132.09 123.16 26.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.199 168.818 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 71.8 p -77.42 151.27 34.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.167 -179.322 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 686' ' ' VAL . . . . . . . . . . . . . 9.5 p -58.14 -27.87 33.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.219 173.169 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 687' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -66.63 -40.72 88.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.185 175.483 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 688' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -67.06 -40.58 87.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.172 177.385 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 689' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -58.58 -49.43 77.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.241 176.355 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 690' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -68.59 -36.82 79.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.235 -179.311 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 691' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -59.0 -51.19 71.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.245 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 692' ' ' VAL . . . . . . . . . . . . . 76.6 t -70.7 -34.69 57.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.207 179.582 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 693' ' ' LEU . . . . . 0.421 HD12 ' HB3' ' A' ' 699' ' ' MET . 28.5 tp -55.92 -43.92 77.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.215 174.67 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 694' ' ' GLU . . . . . . . . . . . . . 60.1 mt-10 -85.45 -20.36 29.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.172 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 695' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -53.58 -47.38 70.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.24 176.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 696' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -93.95 121.33 64.45 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.184 177.793 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 697' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_exo -54.36 -33.79 77.99 Favored 'Trans proline' 0 N--CA 1.458 -0.585 0 C-N-CA 121.687 1.591 . . . . 0.0 111.186 -179.566 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 698' ' ' MET . . . . . . . . . . . . . 99.8 mmm -67.85 -30.13 69.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.21 -178.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 699' ' ' MET . . . . . 0.421 ' HB3' HD12 ' A' ' 693' ' ' LEU . 99.3 mmm -96.8 -19.91 18.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.228 -178.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 700' ' ' ARG . . . . . . . . . . . . . 39.2 ttm180 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.204 -177.366 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 586' ' ' CYS . . . . . . . . . . . . . 57.2 m . . . . . 0 CA--C 1.523 -0.069 0 CA-C-O 120.862 0.363 . . . . 0.0 111.214 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 587' ' ' ARG . . . . . . . . . . . . . 63.7 ttm-85 -56.74 -50.05 73.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.175 177.844 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 588' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -67.11 -41.25 86.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.235 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 33.6 tp -57.96 -47.97 81.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.232 179.8 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 590' ' ' VAL . . . . . . . . . . . . . 58.3 t -66.05 -40.18 86.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.202 177.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 591' ' ' ALA . . . . . . . . . . . . . . . -70.43 -11.39 60.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.144 -175.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 66.1 m -67.06 -21.67 65.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.209 -177.844 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 593' ' ' MET . . . . . . . . . . . . . 73.9 mtm -54.9 128.73 64.7 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.188 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -54.68 -45.05 43.89 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 121.658 1.572 . . . . 0.0 111.216 176.803 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 595' ' ' LEU . . . . . . . . . . . . . 60.2 tp -62.93 -40.71 98.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.176 -177.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 596' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -100.63 14.89 29.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.155 -177.117 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 597' ' ' ALA . . . . . . . . . . . . . . . -60.0 -35.36 74.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.206 178.747 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 598' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -110.03 20.06 18.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.176 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 599' ' ' ALA . . . . . . . . . . . . . . . -67.12 149.55 50.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.228 179.627 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 600' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -58.66 143.57 81.66 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.185 178.207 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 601' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_exo -51.62 -34.47 53.08 Favored 'Trans proline' 0 N--CA 1.458 -0.598 0 C-N-CA 121.701 1.6 . . . . 0.0 111.178 175.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 602' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -72.47 -35.07 68.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.228 179.531 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 603' ' ' PHE . . . . . . . . . . . . . 10.9 m-30 -67.29 -35.26 79.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.187 176.039 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 604' ' ' VAL . . . . . . . . . . . . . 75.9 t -63.6 -51.17 73.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.184 175.782 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 605' ' ' THR . . . . . . . . . . . . . 88.9 m -56.99 -45.28 83.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.21 175.32 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 606' ' ' SER . . . . . . . . . . . . . 57.9 m -54.98 -49.88 70.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.232 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 77.1 mtm -56.8 -46.03 81.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.18 177.277 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 608' ' ' LEU . . . . . . . . . . . . . 84.8 mt -59.31 -39.94 84.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.21 -176.402 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 609' ' ' THR . . . . . . . . . . . . . 80.6 p -77.21 -10.62 59.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.198 -176.311 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 610' ' ' LYS . . . . . . . . . . . . . 66.2 mttm -99.87 -6.03 27.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.217 179.038 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 611' ' ' LEU . . . . . . . . . . . . . 63.7 mt -64.99 131.72 47.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.173 -177.881 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 612' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -103.14 133.25 48.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.165 177.378 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 613' ' ' PHE . . . . . . . . . . . . . 84.0 t80 -92.05 135.05 34.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.175 -171.4 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -151.65 132.7 14.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.195 174.15 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 615' ' ' VAL . . . . . 0.565 HG22 ' HG2' ' A' ' 680' ' ' ARG . 99.4 t -93.87 143.67 11.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.246 173.41 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 616' ' ' PHE . . . . . 0.709 ' HB2' ' SG ' ' A' ' 679' ' ' CYS . 98.1 m-85 -124.44 135.21 53.07 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.227 178.064 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 617' ' ' GLN . . . . . . . . . . . . . 17.0 pt20 -93.91 161.47 29.86 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.231 -178.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 618' ' ' PRO . . . . . 0.416 ' HG3' ' HA ' ' A' ' 677' ' ' THR . 82.0 Cg_exo -52.08 123.99 13.78 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 121.73 1.62 . . . . 0.0 111.197 176.41 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 619' ' ' GLY . . . . . . . . . . . . . . . 94.89 -12.11 68.9 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.164 -0.775 . . . . 0.0 111.164 176.279 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 620' ' ' ASP . . . . . . . . . . . . . 65.6 t0 -73.62 118.65 16.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.798 0.332 . . . . 0.0 111.169 179.243 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 621' ' ' TYR . . . . . . . . . . . . . 60.5 m-85 -72.53 140.63 48.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.26 178.798 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 622' ' ' ILE . . . . . . . . . . . . . 68.6 mt -107.42 -44.95 7.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.169 178.278 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 623' ' ' ILE . . . . . . . . . . . . . 75.0 mt -134.94 121.77 35.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.197 175.441 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 37.1 mmt180 -79.93 138.11 37.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.212 177.096 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 625' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -67.64 130.96 44.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.184 178.362 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 626' ' ' GLY . . . . . . . . . . . . . . . 100.09 -4.8 57.47 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 177.137 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 627' ' ' THR . . . . . . . . . . . . . 44.3 p -99.94 157.12 16.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.785 0.326 . . . . 0.0 111.194 178.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 628' ' ' ILE . . . . . 0.422 ' HA ' ' HA ' ' A' ' 668' ' ' ARG . 97.5 mt -79.52 128.41 38.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.187 -176.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 629' ' ' GLY . . . . . . . . . . . . . . . -98.91 131.97 10.76 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.146 -0.782 . . . . 0.0 111.146 177.879 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 630' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -131.12 -3.76 3.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.804 0.335 . . . . 0.0 111.2 -179.013 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 631' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -125.03 144.56 50.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.176 -178.577 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 632' ' ' MET . . . . . . . . . . . . . 66.2 mtp -90.7 152.44 20.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.213 169.539 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 633' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -129.1 126.6 39.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.197 177.672 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 634' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -110.64 128.15 55.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.227 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 635' ' ' ILE . . . . . . . . . . . . . 73.2 mt -92.41 99.01 9.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.181 -174.901 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 21.7 tm0? -73.08 -31.71 64.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.18 -178.218 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 637' ' ' HIS . . . . . . . . . . . . . 80.2 t60 -168.82 140.06 2.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.189 176.04 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 638' ' ' GLY . . . . . . . . . . . . . . . 114.02 -178.86 18.51 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 639' ' ' VAL . . . . . . . . . . . . . 95.5 t -120.12 131.25 72.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.78 0.324 . . . . 0.0 111.189 -174.337 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 640' ' ' VAL . . . . . . . . . . . . . 86.7 t -128.76 136.61 59.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.182 175.499 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 641' ' ' SER . . . . . . . . . . . . . 29.6 t -100.94 128.22 47.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.19 -177.517 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 642' ' ' VAL . . . . . . . . . . . . . 70.0 t -112.42 98.57 7.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.211 177.06 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 643' ' ' LEU . . . . . . . . . . . . . 69.6 tp -84.78 110.06 18.53 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.217 -178.886 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 644' ' ' THR . . . . . . . . . . . . . 97.7 m -86.97 136.34 32.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.209 -176.18 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 89.3 tttt -55.34 118.92 4.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.221 -177.142 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 646' ' ' GLY . . . . . . . . . . . . . . . 72.8 15.05 78.06 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 173.688 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 647' ' ' ASN . . . . . . . . . . . . . 63.7 m-80 -139.7 160.02 40.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.722 0.296 . . . . 0.0 111.227 -176.663 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 648' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -63.12 138.96 58.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.212 175.851 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 649' ' ' GLU . . . . . . . . . . . . . 19.7 pm0 -64.89 147.3 53.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.182 -178.12 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 650' ' ' THR . . . . . . . . . . . . . 95.5 m -102.89 131.05 50.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.227 174.48 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 651' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -92.76 122.67 35.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.243 -179.356 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 77.8 mt -112.9 141.61 46.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.207 177.442 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -134.43 -170.06 2.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.22 -173.551 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 654' ' ' ASP . . . . . . . . . . . . . 58.4 t0 -51.54 115.64 1.71 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.192 176.718 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 655' ' ' GLY . . . . . . . . . . . . . . . 103.36 2.85 47.7 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 179.454 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 656' ' ' SER . . . . . . . . . . . . . 44.8 m -99.86 170.5 8.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.772 0.32 . . . . 0.0 111.234 176.324 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 657' ' ' TYR . . . . . . . . . . . . . 50.0 p90 -159.85 169.53 23.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.194 175.022 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 658' ' ' PHE . . . . . . . . . . . . . 41.0 p90 -155.15 171.47 19.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.208 -179.014 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 659' ' ' GLY . . . . . . . . . . . . . . . 92.47 4.69 65.8 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.179 -0.768 . . . . 0.0 111.179 -174.463 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 660' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -55.24 -35.47 64.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.785 0.326 . . . . 0.0 111.198 -177.023 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 661' ' ' ILE . . . . . . . . . . . . . 94.1 mt -55.0 -33.93 30.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.219 -179.464 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 662' ' ' CYS . . . . . . . . . . . . . 74.0 m -56.14 -30.32 61.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.215 -176.889 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 663' ' ' LEU . . . . . . . . . . . . . 94.2 mt -63.07 -32.14 73.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.187 179.761 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 95.1 mt -88.83 -37.69 15.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.195 -179.359 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 665' ' ' THR . . . . . . . . . . . . . 5.3 t -159.99 129.57 5.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.197 177.32 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 666' ' ' ARG . . . . . 0.651 ' HD3' ' HB ' ' A' ' 686' ' ' VAL . 85.7 mtm180 -87.43 74.48 9.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.166 178.51 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . -118.91 -167.93 13.96 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 -176.411 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 668' ' ' ARG . . . . . 0.422 ' HA ' ' HA ' ' A' ' 628' ' ' ILE . 75.0 mtp180 -73.51 137.07 44.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.799 0.333 . . . . 0.0 111.211 179.786 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 56.3 ttt85 -90.49 130.48 36.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.216 179.617 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 670' ' ' THR . . . . . . . . . . . . . 41.2 p -93.66 42.41 1.1 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.159 178.65 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 671' ' ' ALA . . . . . . . . . . . . . . . -153.71 143.43 21.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.202 179.653 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 672' ' ' SER . . . . . . . . . . . . . 37.5 t -100.32 119.14 37.96 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.214 177.291 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 673' ' ' VAL . . . . . . . . . . . . . 58.2 t -107.85 119.02 56.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.158 -175.563 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 674' ' ' ARG . . . . . . . . . . . . . 59.7 ttp180 -136.09 136.97 40.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.174 -177.551 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 675' ' ' ALA . . . . . . . . . . . . . . . -71.64 139.29 49.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.168 -179.418 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 676' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -99.7 -36.53 9.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.187 -179.404 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 677' ' ' THR . . . . . 0.416 ' HA ' ' HG3' ' A' ' 618' ' ' PRO . 37.2 p -123.63 177.4 5.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.171 179.555 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 678' ' ' TYR . . . . . . . . . . . . . 84.2 m-85 -69.92 93.21 0.75 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.233 170.625 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 679' ' ' CYS . . . . . 0.709 ' SG ' ' HB2' ' A' ' 616' ' ' PHE . 27.7 p -114.42 152.76 31.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.206 -166.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 680' ' ' ARG . . . . . 0.565 ' HG2' HG22 ' A' ' 615' ' ' VAL . 99.6 mtt180 -112.93 114.75 27.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.155 -179.338 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 681' ' ' LEU . . . . . . . . . . . . . 7.9 mp -116.34 149.96 38.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.173 -173.003 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 682' ' ' TYR . . . . . . . . . . . . . 75.0 m-85 -116.4 128.33 55.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.202 169.319 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 683' ' ' SER . . . . . . . . . . . . . 96.5 p -111.1 155.02 23.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.217 -175.101 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 684' ' ' LEU . . . . . . . . . . . . . 41.4 tp -162.62 133.89 5.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.24 176.082 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 72.3 p -77.06 155.76 32.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.226 -173.162 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 686' ' ' VAL . . . . . 0.651 ' HB ' ' HD3' ' A' ' 666' ' ' ARG . 69.3 t -62.52 -32.98 57.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.206 173.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 687' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -58.94 -41.58 87.71 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.204 175.613 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 688' ' ' ASN . . . . . . . . . . . . . 97.2 m-20 -74.23 -35.7 63.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.164 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 689' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -57.91 -42.55 84.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.189 171.188 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 690' ' ' ASN . . . . . . . . . . . . . 97.1 m-20 -65.07 -38.2 90.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.255 176.667 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 691' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -59.71 -41.46 90.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.165 177.755 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 692' ' ' VAL . . . . . . . . . . . . . 57.4 t -65.11 -49.14 80.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.173 176.597 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 693' ' ' LEU . . . . . . . . . . . . . 84.6 mt -62.86 -29.37 70.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.185 -178.816 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 694' ' ' GLU . . . . . . . . . . . . . 61.5 mt-10 -100.5 14.05 32.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.145 -179.442 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 695' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -68.71 -40.85 79.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.194 179.732 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 696' ' ' TYR . . . . . . . . . . . . . 22.1 m-30 -100.0 129.95 27.32 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.216 174.325 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 697' ' ' PRO . . . . . . . . . . . . . 80.6 Cg_exo -53.3 -37.05 80.53 Favored 'Trans proline' 0 N--CA 1.458 -0.58 0 C-N-CA 121.699 1.599 . . . . 0.0 111.207 179.828 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 698' ' ' MET . . . . . . . . . . . . . 99.9 mmm -63.8 -30.1 71.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.204 -177.695 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 699' ' ' MET . . . . . . . . . . . . . 99.1 mmm -97.74 -20.01 17.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.199 179.17 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 700' ' ' ARG . . . . . . . . . . . . . 35.7 ttm180 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.207 174.549 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 586' ' ' CYS . . . . . . . . . . . . . 62.0 m . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.798 0.332 . . . . 0.0 111.213 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 587' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -58.79 -36.78 74.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.171 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 588' ' ' LYS . . . . . . . . . . . . . 64.6 pttt -61.99 -24.2 66.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.208 178.899 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 83.9 mt -90.96 -40.35 11.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.19 -179.128 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 590' ' ' VAL . . . . . . . . . . . . . 73.6 t -68.76 -31.85 52.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.21 178.137 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 591' ' ' ALA . . . . . . . . . . . . . . . -83.94 6.96 19.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.22 -176.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 61.5 p -80.3 -9.27 59.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.207 173.714 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 593' ' ' MET . . . . . . . . . . . . . 65.3 mtt -64.23 152.94 87.16 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.197 178.72 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 81.7 Cg_exo -54.94 -39.91 88.26 Favored 'Trans proline' 0 N--CA 1.459 -0.548 0 C-N-CA 121.71 1.607 . . . . 0.0 111.161 -178.077 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 595' ' ' LEU . . . . . . . . . . . . . 52.8 tp -52.04 -49.76 62.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.158 178.788 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 596' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -79.3 -33.32 43.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.215 -172.619 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 597' ' ' ALA . . . . . . . . . . . . . . . -60.21 -39.17 85.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.168 175.533 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 598' ' ' ASN . . . . . . . . . . . . . 73.1 m-80 -99.96 30.05 3.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.168 178.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 599' ' ' ALA . . . . . . . . . . . . . . . -125.12 151.47 45.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.158 177.779 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 600' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -65.67 151.89 93.84 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.199 176.1 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 601' ' ' PRO . . . . . . . . . . . . . 82.8 Cg_exo -51.66 -36.33 60.71 Favored 'Trans proline' 0 N--CA 1.458 -0.589 0 C-N-CA 121.726 1.617 . . . . 0.0 111.164 177.836 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 602' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -66.08 -40.88 91.17 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.23 177.217 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 603' ' ' PHE . . . . . . . . . . . . . 13.8 m-30 -67.67 -34.04 76.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.232 178.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 604' ' ' VAL . . . . . . . . . . . . . 66.6 t -62.28 -53.29 49.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.21 175.746 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 605' ' ' THR . . . . . . . . . . . . . 97.4 m -53.25 -48.4 68.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.214 179.019 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 606' ' ' SER . . . . . . . . . . . . . 58.3 m -63.69 -50.62 68.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.241 -177.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 61.0 mtt -61.62 -37.72 85.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.186 -173.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 608' ' ' LEU . . . . . . . . . . . . . 80.8 mt -64.6 -15.97 61.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.221 -176.378 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 609' ' ' THR . . . . . . . . . . . . . 69.7 p -100.45 -4.29 29.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.181 178.709 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 610' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -113.99 -15.78 12.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.232 -176.341 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 611' ' ' LEU . . . . . 0.414 HD22 ' HB3' ' A' ' 682' ' ' TYR . 76.4 mt -52.72 131.21 34.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.211 178.315 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 612' ' ' ARG . . . . . . . . . . . . . 53.1 ttp180 -104.88 122.15 45.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.205 172.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 613' ' ' PHE . . . . . . . . . . . . . 59.1 t80 -86.15 122.14 29.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.193 -177.546 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -129.82 126.15 37.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.173 -179.453 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 615' ' ' VAL . . . . . . . . . . . . . 99.3 t -98.38 140.54 17.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.195 175.822 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 616' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -127.44 140.03 52.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.233 -179.086 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 617' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -93.27 162.22 28.75 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.179 -178.218 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 618' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_exo -54.01 117.14 3.57 Favored 'Trans proline' 0 N--CA 1.458 -0.576 0 C-N-CA 121.654 1.569 . . . . 0.0 111.234 175.466 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 619' ' ' GLY . . . . . 0.437 ' O ' ' HD2' ' A' ' 674' ' ' ARG . . . 94.95 -4.98 68.55 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.173 -0.771 . . . . 0.0 111.173 177.489 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 620' ' ' ASP . . . . . . . . . . . . . 64.7 t0 -78.34 123.67 27.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.778 0.323 . . . . 0.0 111.2 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 621' ' ' TYR . . . . . . . . . . . . . 44.3 m-85 -68.75 141.19 55.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.173 178.022 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 622' ' ' ILE . . . . . . . . . . . . . 89.1 mt -100.73 -40.18 7.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.166 175.212 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 623' ' ' ILE . . . . . . . . . . . . . 19.1 tt -160.01 137.2 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.21 176.673 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -108.34 148.48 30.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.238 -175.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 625' ' ' GLU . . . . . . . . . . . . . 23.4 pt-20 -70.09 157.17 38.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.225 -179.158 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 626' ' ' GLY . . . . . . . . . . . . . . . 88.24 12.34 65.58 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 178.054 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 627' ' ' THR . . . . . . . . . . . . . 59.3 p -121.68 157.09 31.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.821 0.344 . . . . 0.0 111.191 178.404 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 628' ' ' ILE . . . . . . . . . . . . . 70.0 mt -99.54 80.09 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.167 -179.477 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 629' ' ' GLY . . . . . . . . . . . . . . . -77.76 147.36 32.2 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 -179.493 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 630' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -129.96 30.26 4.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.789 0.328 . . . . 0.0 111.247 176.786 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 631' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -128.42 139.73 52.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.191 -179.033 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 632' ' ' MET . . . . . . . . . . . . . 64.3 mtt -93.03 143.34 26.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.233 172.206 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 633' ' ' TYR . . . . . . . . . . . . . 90.4 m-85 -119.85 124.81 46.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.214 -175.692 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 634' ' ' PHE . . . . . . . . . . . . . 77.2 m-85 -120.16 131.18 54.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.158 -176.63 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 635' ' ' ILE . . . . . . . . . . . . . 75.8 mt -91.71 109.78 21.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.231 -172.752 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 70.6 tp60 -78.08 -37.86 45.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.202 176.642 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 637' ' ' HIS . . . . . . . . . . . . . 81.7 t60 -162.4 142.08 9.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.177 174.648 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 638' ' ' GLY . . . . . . . . . . . . . . . 113.03 177.63 19.58 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 177.122 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 639' ' ' VAL . . . . . . . . . . . . . 85.5 t -124.84 138.0 55.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.782 0.325 . . . . 0.0 111.231 -177.514 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 640' ' ' VAL . . . . . . . . . . . . . 17.6 m -123.98 147.53 28.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.179 177.207 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 641' ' ' SER . . . . . . . . . . . . . 29.1 t -95.01 123.47 38.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.224 176.16 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 642' ' ' VAL . . . . . 0.415 HG22 HG22 ' A' ' 673' ' ' VAL . 58.6 t -111.68 114.68 47.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.21 -177.829 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 643' ' ' LEU . . . . . . . . . . . . . 64.5 tp -112.59 120.0 40.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.182 -178.255 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 644' ' ' THR . . . . . . . . . . . . . 92.1 m -112.4 144.41 41.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.182 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -54.27 144.87 19.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.232 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 646' ' ' GLY . . . . . . . . . . . . . . . 100.6 7.92 50.2 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 -173.374 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 647' ' ' ASN . . . . . . . . . . . . . 52.7 t30 69.86 47.29 0.62 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.778 0.323 . . . . 0.0 111.162 179.768 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 648' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -110.18 94.52 5.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.22 179.78 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 649' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -100.05 120.04 39.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.199 -177.094 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 650' ' ' THR . . . . . . . . . . . . . 63.2 p -134.56 172.71 12.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.165 176.411 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 651' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -133.23 145.34 50.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.159 177.524 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 91.1 mt -121.75 149.3 43.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.163 176.28 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -129.48 -169.75 2.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.164 -170.698 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 654' ' ' ASP . . . . . . . . . . . . . 65.3 t0 -55.96 121.81 10.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.214 178.26 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 655' ' ' GLY . . . . . . . . . . . . . . . 100.05 -6.07 58.12 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 -179.721 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 656' ' ' SER . . . . . . . . . . . . . 34.4 m -93.76 169.77 10.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.798 0.332 . . . . 0.0 111.203 175.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 657' ' ' TYR . . . . . . . . . . . . . 34.1 p90 -157.53 169.1 25.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.197 178.524 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 658' ' ' PHE . . . . . . . . . . . . . 40.9 p90 -159.72 171.02 20.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.178 -177.574 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 659' ' ' GLY . . . . . . . . . . . . . . . 90.59 1.99 73.49 Favored Glycine 0 CA--C 1.522 0.521 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 177.594 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 660' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -59.58 -53.74 54.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.811 0.338 . . . . 0.0 111.221 178.854 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 661' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.05 -40.48 87.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.203 178.839 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 662' ' ' CYS . . . . . . . . . . . . . 42.2 t -54.57 -54.54 40.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.164 179.31 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 663' ' ' LEU . . . . . 0.563 ' C ' HD23 ' A' ' 663' ' ' LEU . 8.5 tt -60.42 -43.57 96.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.222 -179.87 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 81.0 mt -61.1 -39.76 91.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.171 -177.526 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 665' ' ' THR . . . . . . . . . . . . . 67.9 p -80.7 165.88 21.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.151 179.681 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 666' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -120.06 47.14 1.8 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.151 178.459 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . -148.88 -171.52 17.72 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 111.176 -0.769 . . . . 0.0 111.176 -178.037 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 89.9 mtm180 -79.26 137.98 37.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.815 0.341 . . . . 0.0 111.212 -178.074 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 77.5 ttt180 -76.77 141.72 40.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.195 -179.639 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 670' ' ' THR . . . . . . . . . . . . . 40.1 p -102.47 38.23 1.74 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.18 -179.595 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 671' ' ' ALA . . . . . . . . . . . . . . . -159.2 155.51 27.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.215 -177.893 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 672' ' ' SER . . . . . . . . . . . . . 95.9 p -132.91 155.37 49.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.195 178.565 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 673' ' ' VAL . . . . . 0.415 HG22 HG22 ' A' ' 642' ' ' VAL . 47.4 t -135.0 129.96 51.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.237 -177.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 674' ' ' ARG . . . . . 0.437 ' HD2' ' O ' ' A' ' 619' ' ' GLY . 60.1 ttp180 -131.12 134.1 46.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.186 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 675' ' ' ALA . . . . . . . . . . . . . . . -68.08 130.72 43.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.213 -177.045 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 676' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -85.83 -20.87 28.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.222 -178.32 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 677' ' ' THR . . . . . 0.441 ' O ' ' SG ' ' A' ' 679' ' ' CYS . 14.7 t -155.72 -169.04 2.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.189 -178.557 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 678' ' ' TYR . . . . . . . . . . . . . 89.7 t80 -59.99 99.88 0.08 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.242 172.816 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 679' ' ' CYS . . . . . 0.441 ' SG ' ' O ' ' A' ' 677' ' ' THR . 79.3 m -113.3 141.22 47.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.203 -171.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 680' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -115.82 115.07 25.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.218 174.58 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 681' ' ' LEU . . . . . . . . . . . . . 5.8 mp -119.96 155.25 33.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.182 -174.021 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 682' ' ' TYR . . . . . 0.414 ' HB3' HD22 ' A' ' 611' ' ' LEU . 80.3 m-85 -116.21 138.92 50.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.2 166.89 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 683' ' ' SER . . . . . . . . . . . . . 66.2 m -116.51 143.05 46.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.176 -177.33 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 684' ' ' LEU . . . . . 0.408 ' HG ' HD23 ' A' ' 611' ' ' LEU . 74.4 mt -133.48 127.4 33.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.241 170.391 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 85.0 p -83.74 158.81 21.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.218 179.181 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 686' ' ' VAL . . . . . . . . . . . . . 10.6 p -56.09 -31.54 31.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.237 171.58 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 687' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -64.3 -44.04 92.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.205 176.169 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 688' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -63.29 -43.5 97.71 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.148 176.489 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 689' ' ' PHE . . . . . . . . . . . . . 33.8 m-85 -62.75 -34.44 77.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.24 179.574 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 690' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -68.21 -44.1 76.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.18 175.505 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 691' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -58.45 -41.51 85.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.142 -179.098 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 692' ' ' VAL . . . . . . . . . . . . . 55.7 t -50.37 -35.11 12.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.236 177.65 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 693' ' ' LEU . . . . . . . . . . . . . 79.7 mt -94.74 -5.0 46.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.21 -172.852 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 694' ' ' GLU . . . . . 0.528 ' HA ' ' HE ' ' A' ' 700' ' ' ARG . 96.6 mt-10 -109.89 -10.97 14.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.2 -177.61 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 695' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -74.24 -7.61 53.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.204 174.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 696' ' ' TYR . . . . . . . . . . . . . 39.4 m-85 -125.56 80.79 65.61 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.154 178.15 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 697' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_exo -55.5 -31.53 78.72 Favored 'Trans proline' 0 N--CA 1.459 -0.533 0 C-N-CA 121.682 1.588 . . . . 0.0 111.195 -178.046 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 698' ' ' MET . . . . . . . . . . . . . 100.0 mmm -63.6 -31.76 73.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.191 -175.854 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 699' ' ' MET . . . . . . . . . . . . . 97.1 mmm -118.76 10.02 12.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.179 -178.491 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 700' ' ' ARG . . . . . 0.528 ' HE ' ' HA ' ' A' ' 694' ' ' GLU . 40.3 ttm180 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.207 -177.738 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 586' ' ' CYS . . . . . . . . . . . . . 41.8 t . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.793 0.33 . . . . 0.0 111.213 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 587' ' ' ARG . . . . . . . . . . . . . 60.0 ttp180 -46.85 -41.66 16.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.234 174.718 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 588' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -69.62 -25.18 63.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.166 -176.755 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 95.5 mt -80.7 -36.23 32.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.199 -178.182 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 590' ' ' VAL . . . . . . . . . . . . . 70.1 t -77.42 -38.39 26.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.209 175.456 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 591' ' ' ALA . . . . . . . . . . . . . . . -68.4 -14.12 62.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.198 -174.612 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 59.8 p -63.52 -24.9 68.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.222 177.771 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 593' ' ' MET . . . . . 0.415 ' HG2' ' H ' ' A' ' 595' ' ' LEU . 53.4 ttm -69.96 133.35 88.1 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.183 174.867 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 99.9 Cg_exo -51.76 -37.46 65.15 Favored 'Trans proline' 0 N--CA 1.459 -0.559 0 C-N-CA 121.656 1.57 . . . . 0.0 111.225 -179.309 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 595' ' ' LEU . . . . . 0.415 ' H ' ' HG2' ' A' ' 593' ' ' MET . 88.1 mt -61.57 -29.65 70.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.192 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 596' ' ' PHE . . . . . . . . . . . . . 72.9 m-85 -107.85 14.55 25.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.207 -179.233 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 597' ' ' ALA . . . . . . . . . . . . . . . -71.85 -48.9 42.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.217 -179.597 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 598' ' ' ASN . . . . . . . . . . . . . 72.6 m-80 -110.13 12.94 23.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.227 -179.346 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 599' ' ' ALA . . . . . . . . . . . . . . . -66.85 149.97 49.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.204 -179.176 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 600' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -64.16 134.77 96.06 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.218 179.22 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 601' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_exo -51.08 -36.62 55.47 Favored 'Trans proline' 0 N--CA 1.457 -0.631 0 C-N-CA 121.726 1.617 . . . . 0.0 111.184 -178.066 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 602' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -70.46 -41.44 72.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.197 -178.518 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 603' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -61.28 -44.03 97.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.184 175.687 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 604' ' ' VAL . . . . . . . . . . . . . 78.5 t -62.52 -45.55 98.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.153 178.021 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 605' ' ' THR . . . . . . . . . . . . . 88.7 m -55.15 -48.52 73.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.192 177.06 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 606' ' ' SER . . . . . . . . . . . . . 73.6 m -54.29 -45.81 72.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.223 177.636 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 33.0 mmt -60.13 -46.01 91.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.137 176.154 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 608' ' ' LEU . . . . . 0.401 HD23 HD11 ' A' ' 611' ' ' LEU . 80.1 mt -55.96 -40.42 73.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.169 -177.065 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 609' ' ' THR . . . . . . . . . . . . . 65.9 p -76.48 -14.99 60.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.192 -178.341 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 610' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -104.87 8.65 34.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.205 -178.317 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 611' ' ' LEU . . . . . 0.443 HD23 ' CD2' ' A' ' 684' ' ' LEU . 80.3 mt -64.21 130.34 43.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.201 178.284 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 612' ' ' ARG . . . . . . . . . . . . . 75.7 ttt180 -102.46 123.76 46.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.223 177.197 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 613' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -102.02 147.77 26.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.222 -174.271 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -154.24 132.12 11.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.217 -178.463 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 615' ' ' VAL . . . . . . . . . . . . . 88.1 t -86.3 141.32 14.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.191 178.018 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 616' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -128.84 133.62 48.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.212 -179.647 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 617' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -90.9 165.18 22.86 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.235 179.263 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 618' ' ' PRO . . . . . . . . . . . . . 69.9 Cg_exo -54.51 117.06 3.54 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 121.707 1.605 . . . . 0.0 111.247 175.036 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 619' ' ' GLY . . . . . . . . . . . . . . . 94.78 -5.07 69.24 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 178.061 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 620' ' ' ASP . . . . . . . . . . . . . 62.7 t0 -74.77 125.86 29.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.767 0.317 . . . . 0.0 111.173 178.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 621' ' ' TYR . . . . . . . . . . . . . 53.5 m-85 -77.05 140.11 40.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.161 -175.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 622' ' ' ILE . . . . . . . . . . . . . 77.4 mt -105.74 -42.96 7.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.178 176.16 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 623' ' ' ILE . . . . . . . . . . . . . 59.1 mt -130.27 136.89 57.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.21 178.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 96.3 mtt-85 -120.11 124.79 46.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.225 172.733 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 625' ' ' GLU . . . . . . . . . . . . . 23.2 pt-20 -66.99 156.12 36.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.172 -179.64 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 626' ' ' GLY . . . . . . . . . . . . . . . 92.09 7.42 64.09 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.191 -0.764 . . . . 0.0 111.191 179.646 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 627' ' ' THR . . . . . . . . . . . . . 70.6 p -122.53 153.83 38.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.846 0.355 . . . . 0.0 111.19 176.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 628' ' ' ILE . . . . . . . . . . . . . 46.3 mm -64.02 127.18 24.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.22 -175.654 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 629' ' ' GLY . . . . . . . . . . . . . . . -87.01 141.59 17.77 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 630' ' ' LYS . . . . . . . . . . . . . 62.1 pttt -169.61 21.6 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.829 0.347 . . . . 0.0 111.229 -178.413 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 631' ' ' LYS . . . . . 0.479 ' HB2' HH22 ' A' ' 669' ' ' ARG . 98.6 mttt -142.25 150.04 40.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.219 179.479 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 632' ' ' MET . . . . . . . . . . . . . 71.6 mtm -118.98 137.94 53.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.187 172.403 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 633' ' ' TYR . . . . . . . . . . . . . 83.6 m-85 -115.08 136.24 53.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.186 -170.083 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 634' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 -120.26 139.85 52.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.224 175.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 635' ' ' ILE . . . . . 0.435 HG12 HD21 ' A' ' 681' ' ' LEU . 73.5 mt -92.89 103.06 14.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.159 -177.546 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -62.93 -51.0 68.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.165 174.652 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 637' ' ' HIS . . . . . . . . . . . . . 53.5 p-80 -159.07 169.1 25.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.167 172.161 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 638' ' ' GLY . . . . . . . . . . . . . . . 91.37 -175.53 39.39 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.174 -0.77 . . . . 0.0 111.174 178.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 639' ' ' VAL . . . . . . . . . . . . . 91.6 t -125.92 137.31 58.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.814 0.34 . . . . 0.0 111.209 -177.038 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 640' ' ' VAL . . . . . . . . . . . . . 30.4 m -124.84 154.49 32.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.229 175.807 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 641' ' ' SER . . . . . . . . . . . . . 33.4 t -105.34 123.36 47.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.162 176.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 642' ' ' VAL . . . . . 0.41 HG22 HG22 ' A' ' 673' ' ' VAL . 64.0 t -110.62 114.08 46.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.185 -179.126 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 643' ' ' LEU . . . . . . . . . . . . . 69.5 tp -111.28 114.02 26.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.184 -178.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 644' ' ' THR . . . . . 0.404 ' HB ' ' HB2' ' A' ' 648' ' ' LYS . 97.1 m -99.88 139.94 34.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.194 -178.754 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -50.27 126.86 15.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.233 -179.042 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 646' ' ' GLY . . . . . . . . . . . . . . . 118.47 10.17 8.85 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 -175.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 647' ' ' ASN . . . . . . . . . . . . . 53.0 t30 69.06 45.81 0.87 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.79 0.329 . . . . 0.0 111.162 -179.591 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 648' ' ' LYS . . . . . 0.404 ' HB2' ' HB ' ' A' ' 644' ' ' THR . 94.0 mttt -109.69 90.05 3.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.179 178.358 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 649' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -97.61 111.9 23.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.18 -175.414 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 650' ' ' THR . . . . . . . . . . . . . 71.6 p -125.95 167.29 15.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.21 175.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 651' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -128.84 145.46 51.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.201 178.807 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 85.9 mt -126.58 152.96 45.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.188 178.195 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -133.64 -177.66 4.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.191 -172.804 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 654' ' ' ASP . . . . . . . . . . . . . 66.6 t0 -43.01 124.14 3.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.191 179.027 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 655' ' ' GLY . . . . . . . . . . . . . . . 100.61 -5.4 56.91 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 172.872 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 656' ' ' SER . . . . . . . . . . . . . 74.1 m -98.08 175.85 5.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.806 0.336 . . . . 0.0 111.219 177.504 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 657' ' ' TYR . . . . . . . . . . . . . 30.2 p90 -150.76 168.18 25.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.212 -178.821 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 658' ' ' PHE . . . . . . . . . . . . . 42.8 p90 -161.02 159.89 29.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.217 178.474 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 659' ' ' GLY . . . . . 0.571 ' HA2' ' SG ' ' A' ' 662' ' ' CYS . . . 93.23 7.5 62.15 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 178.717 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 660' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -54.87 -50.16 69.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.79 0.328 . . . . 0.0 111.21 179.58 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 661' ' ' ILE . . . . . . . . . . . . . 95.1 mt -67.96 -32.86 58.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.19 -177.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 662' ' ' CYS . . . . . 0.571 ' SG ' ' HA2' ' A' ' 659' ' ' GLY . 78.6 m -54.66 -50.43 68.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.214 -176.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 663' ' ' LEU . . . . . . . . . . . . . 17.9 tp -80.02 -39.94 28.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.204 179.52 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 59.8 tp -53.26 -44.85 68.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.225 -179.522 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 665' ' ' THR . . . . . . . . . . . . . 45.3 p -101.51 -168.95 1.62 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.22 178.554 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 666' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -125.37 159.93 30.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.138 178.685 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 109.83 -171.83 15.34 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 178.34 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 92.0 mtm180 -80.64 155.09 27.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.81 0.338 . . . . 0.0 111.222 -178.473 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 669' ' ' ARG . . . . . 0.57 ' HE ' ' HB3' ' A' ' 662' ' ' CYS . 97.9 mtt180 -79.39 141.54 36.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.185 178.302 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 670' ' ' THR . . . . . . . . . . . . . 60.7 p -109.72 26.53 10.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.235 179.765 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 671' ' ' ALA . . . . . . . . . . . . . . . -150.79 151.02 31.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.229 -179.575 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 672' ' ' SER . . . . . . . . . . . . . 67.5 m -121.99 152.06 40.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.222 177.073 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 673' ' ' VAL . . . . . 0.41 HG22 HG22 ' A' ' 642' ' ' VAL . 58.6 t -135.04 132.98 53.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.253 -178.266 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 674' ' ' ARG . . . . . . . . . . . . . 58.6 ttp180 -134.96 133.8 39.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.199 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 675' ' ' ALA . . . . . . . . . . . . . . . -69.28 132.65 46.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.193 -177.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 676' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -86.57 -19.25 29.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.169 -175.848 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 14.0 t -152.33 -176.23 5.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.18 -178.668 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 678' ' ' TYR . . . . . . . . . . . . . 76.7 t80 -81.47 122.3 27.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.221 178.247 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 679' ' ' CYS . . . . . . . . . . . . . 30.9 p -166.46 -175.65 3.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.259 -175.358 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 680' ' ' ARG . . . . . . . . . . . . . 38.2 ttm180 -130.03 139.99 50.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.21 179.643 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 681' ' ' LEU . . . . . 0.435 HD21 HG12 ' A' ' 635' ' ' ILE . 4.6 mp -124.31 171.75 9.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.148 174.9 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 682' ' ' TYR . . . . . . . . . . . . . 51.4 p90 -146.15 147.85 31.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.188 173.155 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 683' ' ' SER . . . . . . . . . . . . . 88.7 p -138.36 161.99 35.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.23 -167.148 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 684' ' ' LEU . . . . . 0.443 ' CD2' HD23 ' A' ' 611' ' ' LEU . 61.3 mt -116.33 134.72 54.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.197 170.052 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 26.1 t -100.66 149.43 23.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.179 178.027 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 686' ' ' VAL . . . . . . . . . . . . . 7.6 p -52.94 -29.1 14.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.237 174.17 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 687' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -61.16 -43.82 98.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.192 175.437 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 688' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -66.67 -37.81 85.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.222 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 689' ' ' PHE . . . . . . . . . . . . . 37.0 m-85 -62.53 -46.17 89.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.205 175.164 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 690' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -59.97 -40.03 87.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.204 -179.508 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 691' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -55.64 -51.02 68.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.211 177.394 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 692' ' ' VAL . . . . . . . . . . . . . 65.8 t -66.76 -40.83 86.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.219 -178.811 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 693' ' ' LEU . . . . . . . . . . . . . 92.2 mt -63.9 -39.73 94.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.199 -177.791 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 694' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -76.27 -33.05 59.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.198 177.214 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 695' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -65.3 -41.27 94.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.186 -179.274 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 696' ' ' TYR . . . . . . . . . . . . . 86.8 m-85 -116.28 101.9 53.72 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.194 177.616 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 697' ' ' PRO . . . . . . . . . . . . . 80.6 Cg_exo -53.7 -32.3 64.67 Favored 'Trans proline' 0 N--CA 1.458 -0.592 0 C-N-CA 121.69 1.593 . . . . 0.0 111.177 -179.022 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 698' ' ' MET . . . . . . . . . . . . . 99.6 mmm -65.44 -35.8 82.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.189 178.384 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 699' ' ' MET . . . . . . . . . . . . . 67.3 mtt -80.11 -29.95 39.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.136 -179.722 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 700' ' ' ARG . . . . . . . . . . . . . 80.2 ttt180 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.203 -178.157 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 586' ' ' CYS . . . . . . . . . . . . . 19.3 p . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.779 0.323 . . . . 0.0 111.158 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 587' ' ' ARG . . . . . . . . . . . . . 58.6 ttp180 -46.55 -42.04 15.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.235 -177.045 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 588' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -62.09 -49.71 74.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.203 178.852 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 94.9 mt -62.43 -32.62 73.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.187 -177.001 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 590' ' ' VAL . . . . . . . . . . . . . 75.6 t -71.87 -50.1 40.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.212 175.26 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 591' ' ' ALA . . . . . . . . . . . . . . . -66.63 -22.06 66.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.196 -175.688 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 53.2 p -65.86 -19.6 65.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.203 -179.579 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 593' ' ' MET . . . . . . . . . . . . . 97.4 mmm -79.85 138.4 53.84 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.199 177.236 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 70.0 Cg_exo -52.44 -40.37 71.62 Favored 'Trans proline' 0 N--CA 1.457 -0.628 0 C-N-CA 121.674 1.583 . . . . 0.0 111.214 -174.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 595' ' ' LEU . . . . . . . . . . . . . 65.7 tp -50.64 -44.38 57.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.234 -179.04 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 596' ' ' PHE . . . . . . . . . . . . . 99.8 m-85 -94.75 -25.3 16.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.189 -172.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 597' ' ' ALA . . . . . . . . . . . . . . . -60.5 -39.26 87.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.194 174.68 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 598' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -92.99 10.57 30.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.239 -179.784 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 599' ' ' ALA . . . . . . . . . . . . . . . -106.56 155.97 19.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.182 178.566 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 600' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -60.68 132.14 91.29 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.199 178.169 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 601' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_exo -53.32 -34.47 70.63 Favored 'Trans proline' 0 N--CA 1.458 -0.599 0 C-N-CA 121.681 1.587 . . . . 0.0 111.189 -179.182 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 602' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -67.04 -29.77 69.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.19 -178.157 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 603' ' ' PHE . . . . . . . . . . . . . 20.6 m-30 -86.95 -33.35 19.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.163 179.751 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 604' ' ' VAL . . . . . . . . . . . . . 76.9 t -60.24 -47.01 93.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.204 176.368 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 605' ' ' THR . . . . . . . . . . . . . 76.5 p -70.97 -19.92 62.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.212 -179.196 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 606' ' ' SER . . . . . . . . . . . . . 58.3 m -79.43 -37.89 36.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.203 175.461 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 90.9 mmm -64.86 -20.18 66.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.22 179.15 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 608' ' ' LEU . . . . . . . . . . . . . 90.2 mt -57.26 -27.18 61.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.213 176.766 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 609' ' ' THR . . . . . . . . . . . . . 82.0 p -95.46 7.18 46.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.187 -179.301 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 610' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -121.75 -24.22 5.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.213 178.853 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 611' ' ' LEU . . . . . . . . . . . . . 83.5 mt -77.92 153.16 32.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.201 178.822 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 612' ' ' ARG . . . . . . . . . . . . . 80.8 mtp180 -124.86 167.91 13.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.195 -178.527 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 613' ' ' PHE . . . . . . . . . . . . . 47.9 p90 -134.45 159.86 39.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.233 174.855 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -140.0 133.74 30.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.203 -177.038 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 615' ' ' VAL . . . . . 0.424 HG22 ' HE ' ' A' ' 680' ' ' ARG . 98.3 t -97.07 143.9 11.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.172 176.841 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 616' ' ' PHE . . . . . 0.644 ' HB2' ' SG ' ' A' ' 679' ' ' CYS . 97.7 m-85 -136.58 150.03 48.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.184 -176.736 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 617' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 -112.48 163.42 17.86 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.18 -177.215 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 618' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_exo -53.12 123.18 12.59 Favored 'Trans proline' 0 N--CA 1.458 -0.59 0 C-N-CA 121.703 1.602 . . . . 0.0 111.188 178.351 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 619' ' ' GLY . . . . . . . . . . . . . . . 94.97 -12.16 68.78 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 176.031 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 620' ' ' ASP . . . . . . . . . . . . . 64.5 t0 -73.69 123.43 24.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.819 0.342 . . . . 0.0 111.161 -178.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 621' ' ' TYR . . . . . . . . . . . . . 63.8 m-85 -73.55 143.25 46.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.155 179.169 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 622' ' ' ILE . . . . . . . . . . . . . 58.9 mt -114.76 -46.3 4.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.192 -178.082 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 623' ' ' ILE . . . . . . . . . . . . . 70.5 mt -131.81 137.6 54.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.259 -179.525 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -111.76 125.45 54.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.233 175.731 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 625' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -62.06 135.84 57.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.213 178.064 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 626' ' ' GLY . . . . . . . . . . . . . . . 98.69 -18.17 57.29 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 176.004 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 627' ' ' THR . . . . . . . . . . . . . 44.2 p -90.63 165.47 13.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.826 0.346 . . . . 0.0 111.178 -178.209 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 628' ' ' ILE . . . . . . . . . . . . . 47.6 mm -95.72 110.45 24.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.197 -178.89 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 629' ' ' GLY . . . . . . . . . . . . . . . -135.38 136.41 8.48 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 176.244 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 630' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -119.39 38.66 3.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.775 0.322 . . . . 0.0 111.168 -175.797 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 631' ' ' LYS . . . . . 0.476 ' O ' ' NH2' ' A' ' 669' ' ' ARG . 99.4 mttt -125.68 127.96 47.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.186 -179.396 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 632' ' ' MET . . . . . . . . . . . . . 64.2 ttp -101.18 128.98 47.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.191 169.098 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 633' ' ' TYR . . . . . . . . . . . . . 78.8 m-85 -105.38 128.03 53.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.168 -172.739 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 634' ' ' PHE . . . . . . . . . . . . . 85.5 t80 -100.56 130.76 46.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.21 172.575 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 635' ' ' ILE . . . . . . . . . . . . . 68.7 mt -85.33 110.91 20.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.236 -174.108 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 -79.15 -39.89 32.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.209 176.349 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 637' ' ' HIS . . . . . . . . . . . . . 32.7 p80 -168.41 151.69 5.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.177 175.748 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 638' ' ' GLY . . . . . . . . . . . . . . . 104.06 175.65 25.51 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 -177.656 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 639' ' ' VAL . . . . . . . . . . . . . 92.7 t -122.68 133.25 69.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.79 0.328 . . . . 0.0 111.231 -174.803 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 640' ' ' VAL . . . . . . . . . . . . . 33.1 m -124.55 158.88 31.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.256 175.047 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 641' ' ' SER . . . . . . . . . . . . . 33.8 t -113.65 124.98 53.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.169 177.707 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 642' ' ' VAL . . . . . . . . . . . . . 81.5 t -112.71 119.69 61.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.186 -177.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 643' ' ' LEU . . . . . . . . . . . . . 66.6 tp -112.73 110.92 21.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.18 178.173 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 644' ' ' THR . . . . . . . . . . . . . 18.4 p -105.3 164.81 11.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.148 -172.746 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -52.22 157.18 1.45 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.177 167.366 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 646' ' ' GLY . . . . . . . . . . . . . . . 84.97 5.41 86.14 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 -171.151 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 647' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 59.91 50.02 7.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.766 0.317 . . . . 0.0 111.187 -179.242 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 648' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -115.74 115.62 26.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.2 -176.041 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 649' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -111.74 115.63 29.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.233 -177.082 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 650' ' ' THR . . . . . . . . . . . . . 72.6 p -130.0 166.05 20.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.19 179.335 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 651' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -122.48 144.24 49.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.205 176.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 85.9 mt -126.2 151.71 47.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.23 -178.776 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -140.31 -171.93 3.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.221 -176.772 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 654' ' ' ASP . . . . . . . . . . . . . 67.6 t0 -42.23 122.37 2.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.181 -179.445 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 655' ' ' GLY . . . . . . . . . . . . . . . 108.03 -16.55 35.94 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 173.61 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 656' ' ' SER . . . . . . . . . . . . . 70.5 m -97.2 174.36 6.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.783 0.325 . . . . 0.0 111.222 178.829 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 657' ' ' TYR . . . . . . . . . . . . . 51.9 p90 -151.52 165.04 35.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.232 178.547 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 658' ' ' PHE . . . . . . . . . . . . . 53.7 p90 -154.44 170.0 22.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.235 -178.809 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 659' ' ' GLY . . . . . 0.437 ' O ' ' SG ' ' A' ' 662' ' ' CYS . . . 88.98 14.27 61.01 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 -179.501 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 660' ' ' GLU . . . . . . . . . . . . . 24.8 pm0 -69.42 -10.1 56.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.782 0.325 . . . . 0.0 111.173 -179.269 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 661' ' ' ILE . . . . . . . . . . . . . 11.2 tp -58.96 -23.25 23.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.212 174.595 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 662' ' ' CYS . . . . . 0.437 ' SG ' ' O ' ' A' ' 659' ' ' GLY . 28.2 p -65.1 -19.98 66.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.174 178.212 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 663' ' ' LEU . . . . . . . . . . . . . 70.5 mt -93.02 -7.17 46.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.241 179.113 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 81.1 mt -109.94 -29.19 8.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.206 -174.719 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 665' ' ' THR . . . . . . . . . . . . . 34.7 p -115.39 -179.76 3.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.196 -179.339 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 666' ' ' ARG . . . . . . . . . . . . . 16.5 ptm180 -69.04 -10.18 56.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.223 175.231 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 139.19 -15.25 3.25 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 -177.095 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 63.7 ttm-85 -60.1 119.97 8.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.793 0.33 . . . . 0.0 111.234 177.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 669' ' ' ARG . . . . . 0.476 ' NH2' ' O ' ' A' ' 631' ' ' LYS . 23.4 mmt180 -79.99 127.49 32.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.171 179.642 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 670' ' ' THR . . . . . . . . . . . . . 76.3 p -101.3 22.71 12.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.201 179.511 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 671' ' ' ALA . . . . . . . . . . . . . . . -156.55 151.39 26.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.138 -178.505 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 672' ' ' SER . . . . . . . . . . . . . 57.9 m -110.92 132.2 54.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.203 170.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 673' ' ' VAL . . . . . . . . . . . . . 59.5 t -125.88 131.15 72.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.194 -173.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 674' ' ' ARG . . . . . . . . . . . . . 59.7 ttp180 -134.57 138.04 44.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.253 177.785 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 675' ' ' ALA . . . . . . . . . . . . . . . -70.12 132.91 46.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.236 -178.834 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 676' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -92.85 -38.33 11.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.235 178.667 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 44.6 p -130.19 165.67 21.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.188 175.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 678' ' ' TYR . . . . . . . . . . . . . 79.3 t80 -55.51 118.28 4.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.171 174.531 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 679' ' ' CYS . . . . . 0.644 ' SG ' ' HB2' ' A' ' 616' ' ' PHE . 31.5 p -142.37 164.71 29.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.192 -167.429 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 680' ' ' ARG . . . . . 0.424 ' HE ' HG22 ' A' ' 615' ' ' VAL . 41.7 ttm180 -132.51 130.15 40.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.211 175.335 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 681' ' ' LEU . . . . . . . . . . . . . 62.5 mt -117.22 149.94 39.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.241 -175.574 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 682' ' ' TYR . . . . . . . . . . . . . 15.3 m-30 -100.07 128.84 46.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.187 171.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 683' ' ' SER . . . . . . . . . . . . . 35.2 t -94.56 111.03 22.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.217 -172.079 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 684' ' ' LEU . . . . . . . . . . . . . 60.2 tp -116.04 102.04 9.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.2 174.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 83.2 p -86.53 164.21 17.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.192 -172.395 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 686' ' ' VAL . . . . . . . . . . . . . 75.2 t -61.53 -34.55 62.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.176 173.213 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 687' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -61.32 -40.05 92.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.194 173.513 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 688' ' ' ASN . . . . . . . . . . . . . 97.1 m-20 -69.47 -35.56 75.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.187 178.157 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 689' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -55.11 -51.59 65.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.201 168.664 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 690' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -59.59 -39.97 85.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.213 178.03 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 691' ' ' GLU . . . . . . . . . . . . . 53.5 tp10 -63.35 -60.06 3.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.234 -174.761 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 692' ' ' VAL . . . . . . . . . . . . . 9.5 p -62.58 -31.44 52.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.174 -175.037 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 693' ' ' LEU . . . . . . . . . . . . . 94.9 mt -78.97 -33.07 45.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.2 179.725 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 694' ' ' GLU . . . . . 0.508 ' HA ' ' HE ' ' A' ' 700' ' ' ARG . 88.8 tt0 -70.0 -33.82 72.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.179 177.405 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 695' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -56.81 -39.39 74.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.255 178.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 696' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -108.1 106.53 58.78 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.191 175.181 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 697' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -54.01 -31.72 65.31 Favored 'Trans proline' 0 N--CA 1.458 -0.599 0 C-N-CA 121.734 1.622 . . . . 0.0 111.192 -174.736 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 698' ' ' MET . . . . . . . . . . . . . 99.7 mmm -66.88 -29.62 69.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.243 -178.847 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 699' ' ' MET . . . . . . . . . . . . . 98.9 mmm -100.14 -14.4 18.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.196 -178.765 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 700' ' ' ARG . . . . . 0.508 ' HE ' ' HA ' ' A' ' 694' ' ' GLU . 40.4 ttm180 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.214 178.001 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 586' ' ' CYS . . . . . . . . . . . . . 71.2 m . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.782 0.325 . . . . 0.0 111.234 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 587' ' ' ARG . . . . . . . . . . . . . 42.8 ttm180 -59.84 -36.09 76.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.179 176.452 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 588' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -56.79 -47.97 78.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.207 173.701 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 95.9 mt -62.62 -41.95 99.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.189 -178.338 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 590' ' ' VAL . . . . . . . . . . . . . 53.8 t -62.81 -50.09 81.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.209 177.307 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 591' ' ' ALA . . . . . . . . . . . . . . . -64.89 -33.81 76.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.249 -176.2 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 60.1 p -67.9 -21.71 65.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.238 -176.652 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 593' ' ' MET . . . . . . . . . . . . . 11.9 tpt -60.15 118.09 29.9 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.214 -178.888 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_exo -55.64 -41.92 72.84 Favored 'Trans proline' 0 N--CA 1.458 -0.568 0 C-N-CA 121.69 1.593 . . . . 0.0 111.17 -175.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 595' ' ' LEU . . . . . . . . . . . . . 95.6 mt -74.23 -20.44 60.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.243 -172.617 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 596' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -129.96 24.94 5.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.217 -177.063 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 597' ' ' ALA . . . . . . . . . . . . . . . -66.25 -25.51 66.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.206 177.878 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 598' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -110.02 20.06 18.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.16 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 599' ' ' ALA . . . . . . . . . . . . . . . -66.51 149.83 49.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.172 178.654 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 600' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -62.01 150.08 84.35 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.215 179.604 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 601' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_exo -51.37 -35.8 55.56 Favored 'Trans proline' 0 N--CA 1.457 -0.625 0 C-N-CA 121.71 1.606 . . . . 0.0 111.245 175.555 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 602' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -66.1 -44.81 83.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.188 177.456 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 603' ' ' PHE . . . . . . . . . . . . . 11.3 m-30 -55.48 -47.71 75.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.183 175.034 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 604' ' ' VAL . . . . . . . . . . . . . 65.8 t -55.45 -51.76 53.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.21 179.646 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 605' ' ' THR . . . . . . . . . . . . . 96.4 m -56.09 -48.73 75.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.218 178.078 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 606' ' ' SER . . . . . . . . . . . . . 73.9 m -56.85 -43.13 80.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.162 -178.785 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 98.0 mtp -60.89 -47.01 88.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.16 175.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 608' ' ' LEU . . . . . . . . . . . . . 93.0 mt -58.15 -34.36 70.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.224 -177.573 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 609' ' ' THR . . . . . . . . . . . . . 71.0 p -85.0 -4.8 59.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.229 -178.21 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 610' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -110.16 -12.72 14.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.215 178.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 611' ' ' LEU . . . . . 0.454 HD23 ' HB2' ' A' ' 684' ' ' LEU . 60.0 mt -58.75 141.81 51.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.175 175.482 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 612' ' ' ARG . . . . . . . . . . . . . 52.9 ttt85 -116.07 120.02 37.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.229 175.142 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 613' ' ' PHE . . . . . . . . . . . . . 49.9 t80 -79.45 120.03 23.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.221 -177.441 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -133.51 132.07 40.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.21 177.785 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 615' ' ' VAL . . . . . . . . . . . . . 99.3 t -101.6 139.9 21.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.209 178.371 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 616' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -127.81 140.05 52.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.219 -178.823 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 617' ' ' GLN . . . . . . . . . . . . . 62.3 mt-30 -99.97 160.8 26.23 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.202 179.016 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 618' ' ' PRO . . . . . . . . . . . . . 80.4 Cg_exo -50.02 125.81 15.56 Favored 'Trans proline' 0 N--CA 1.458 -0.615 0 C-N-CA 121.688 1.592 . . . . 0.0 111.211 176.368 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 619' ' ' GLY . . . . . . . . . . . . . . . 100.4 -19.12 54.01 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 176.62 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 620' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -69.59 139.5 53.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.745 0.307 . . . . 0.0 111.201 -178.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 621' ' ' TYR . . . . . . . . . . . . . 57.3 m-85 -98.92 140.08 33.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.225 177.366 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 622' ' ' ILE . . . . . . . . . . . . . 4.2 mp -93.54 -39.98 11.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.195 172.664 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 623' ' ' ILE . . . . . . . . . . . . . 19.5 tt -151.59 149.47 13.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.192 172.7 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 96.8 mtt-85 -112.63 154.52 25.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.213 -179.458 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 625' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -59.92 119.61 8.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.172 177.727 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 626' ' ' GLY . . . . . . . . . . . . . . . 100.33 -5.96 57.61 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 -179.676 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 627' ' ' THR . . . . . . . . . . . . . 91.6 m -85.2 138.86 32.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.809 0.338 . . . . 0.0 111.2 177.182 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 628' ' ' ILE . . . . . 0.405 ' HA ' ' HA ' ' A' ' 668' ' ' ARG . 97.3 mt -72.28 119.73 19.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.215 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 629' ' ' GLY . . . . . . . . . . . . . . . -111.23 156.86 15.31 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 177.786 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 630' ' ' LYS . . . . . 0.428 ' HB2' ' HD2' ' A' ' 666' ' ' ARG . 63.7 pttt -161.75 20.26 0.11 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.789 0.328 . . . . 0.0 111.235 179.156 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 631' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -135.05 154.79 51.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.19 -177.758 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 632' ' ' MET . . . . . . . . . . . . . 60.2 mtp -108.07 140.19 41.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.196 172.755 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 633' ' ' TYR . . . . . . . . . . . . . 77.2 m-85 -117.58 121.93 42.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.196 -177.437 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 634' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -103.43 131.05 50.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.196 176.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 635' ' ' ILE . . . . . . . . . . . . . 77.3 mt -92.74 105.06 16.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.222 -173.717 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 25.1 tm0? -75.35 -30.12 60.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.2 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 637' ' ' HIS . . . . . . . . . . . . . 81.9 t60 -170.06 140.11 1.93 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.245 179.218 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 638' ' ' GLY . . . . . . . . . . . . . . . 113.49 174.4 18.89 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 177.03 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 639' ' ' VAL . . . . . . . . . . . . . 95.2 t -113.08 132.0 63.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.775 0.321 . . . . 0.0 111.151 -177.885 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 640' ' ' VAL . . . . . . . . . . . . . 96.6 t -131.99 134.24 60.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.194 179.472 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 641' ' ' SER . . . . . . . . . . . . . 58.8 m -97.3 131.4 44.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.185 179.57 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 642' ' ' VAL . . . . . . . . . . . . . 89.0 t -116.0 106.13 19.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.218 176.893 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 643' ' ' LEU . . . . . . . . . . . . . 68.4 tp -98.22 112.27 24.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.183 -179.192 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 644' ' ' THR . . . . . . . . . . . . . 97.9 m -98.12 138.12 35.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.244 -177.706 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 89.0 tttt -55.55 119.82 6.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.193 -176.082 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 646' ' ' GLY . . . . . . . . . . . . . . . 74.93 15.11 81.14 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 173.397 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 647' ' ' ASN . . . . . . . . . . . . . 65.6 m-80 -135.09 159.93 39.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.847 0.356 . . . . 0.0 111.171 -177.798 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 648' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -65.46 137.83 57.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.161 179.479 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 649' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -64.69 132.48 49.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.203 178.365 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 650' ' ' THR . . . . . . . . . . . . . 99.7 m -101.34 129.2 47.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.15 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 651' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -93.72 119.96 33.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.18 178.874 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 77.4 mt -112.13 149.66 31.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.196 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -138.57 -168.49 2.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.161 -175.46 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 654' ' ' ASP . . . . . . . . . . . . . 63.1 t0 -53.85 118.06 3.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.235 177.151 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 655' ' ' GLY . . . . . . . . . . . . . . . 104.17 -4.8 45.01 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 179.045 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 656' ' ' SER . . . . . . . . . . . . . 50.3 m -93.27 174.26 7.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.823 0.344 . . . . 0.0 111.196 178.422 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 657' ' ' TYR . . . . . . . . . . . . . 37.5 p90 -155.63 166.88 32.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.214 177.352 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 658' ' ' PHE . . . . . . . . . . . . . 51.8 p90 -155.1 175.1 14.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.19 176.506 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 659' ' ' GLY . . . . . 0.509 ' O ' ' HB2' ' A' ' 662' ' ' CYS . . . 93.5 4.17 64.24 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 111.244 -0.743 . . . . 0.0 111.244 -179.033 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 660' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -57.64 -32.14 66.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.804 0.335 . . . . 0.0 111.233 179.686 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 661' ' ' ILE . . . . . . . . . . . . . 11.0 tp -59.91 -27.31 38.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.195 178.756 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 662' ' ' CYS . . . . . 0.509 ' HB2' ' O ' ' A' ' 659' ' ' GLY . 99.8 m -75.24 -37.11 61.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.184 178.763 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 663' ' ' LEU . . . . . . . . . . . . . 55.0 tp -62.52 -39.76 94.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.174 173.689 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 66.3 tp -60.84 -58.76 7.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.195 173.221 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 665' ' ' THR . . . . . . . . . . . . . 86.4 m -146.95 119.55 8.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.202 176.671 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 666' ' ' ARG . . . . . 0.517 ' HD3' ' HB ' ' A' ' 686' ' ' VAL . 91.3 mtm180 -72.75 154.72 40.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.217 179.372 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 133.97 -163.96 24.48 Favored Glycine 0 CA--C 1.523 0.546 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 179.425 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 668' ' ' ARG . . . . . 0.405 ' HA ' ' HA ' ' A' ' 628' ' ' ILE . 88.8 mtm180 -63.74 121.58 14.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.801 0.334 . . . . 0.0 111.146 -176.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 78.2 ttt180 -94.2 130.68 40.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.214 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 670' ' ' THR . . . . . . . . . . . . . 33.6 p -87.69 57.54 4.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.244 -179.537 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 671' ' ' ALA . . . . . . . . . . . . . . . -161.42 149.62 15.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.155 -178.354 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 672' ' ' SER . . . . . . . . . . . . . 71.3 m -117.91 131.32 56.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.213 175.721 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 673' ' ' VAL . . . . . . . . . . . . . 67.1 t -119.86 123.07 70.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.187 -175.645 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 674' ' ' ARG . . . . . . . . . . . . . 60.9 ttp180 -130.94 131.36 44.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.205 -174.778 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 675' ' ' ALA . . . . . 0.427 ' HB1' ' SG ' ' A' ' 679' ' ' CYS . . . -72.71 142.87 48.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.224 177.402 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 676' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -106.31 -33.96 7.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.181 -178.742 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 31.7 p -124.96 -177.19 3.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.221 179.768 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 678' ' ' TYR . . . . . . . . . . . . . 81.2 t80 -59.95 99.99 0.08 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.176 169.433 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 679' ' ' CYS . . . . . 0.427 ' SG ' ' HB1' ' A' ' 675' ' ' ALA . 82.7 m -107.66 137.34 45.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.144 -169.26 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 680' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -115.27 107.26 15.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.228 173.401 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 681' ' ' LEU . . . . . . . . . . . . . 8.1 mp -111.45 150.22 30.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.173 -173.562 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 682' ' ' TYR . . . . . . . . . . . . . 87.5 m-85 -117.89 119.06 33.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.206 171.071 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 683' ' ' SER . . . . . . . . . . . . . 40.5 t -94.26 140.12 30.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.184 -176.638 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 684' ' ' LEU . . . . . 0.454 ' HB2' HD23 ' A' ' 611' ' ' LEU . 39.7 tp -139.49 120.7 14.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.229 173.551 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 59.7 p -73.73 155.4 38.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.196 -172.848 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 686' ' ' VAL . . . . . 0.517 ' HB ' ' HD3' ' A' ' 666' ' ' ARG . 66.9 t -60.51 -36.76 71.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.218 174.909 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 687' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -56.77 -43.94 81.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.209 173.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 688' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -66.63 -40.06 88.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.188 178.53 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 689' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -54.92 -43.93 73.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.245 174.044 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 690' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -64.46 -44.58 90.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.164 178.419 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 691' ' ' GLU . . . . . . . . . . . . . 64.4 mt-10 -56.91 -41.63 78.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.193 179.487 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 692' ' ' VAL . . . . . . . . . . . . . 69.0 t -70.19 -54.93 16.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.182 -179.632 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 693' ' ' LEU . . . . . . . . . . . . . 43.7 tp -63.73 -35.37 80.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.197 -172.36 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 694' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -85.86 -6.68 59.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.193 -177.266 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 695' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -56.74 -41.84 78.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.178 179.519 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 696' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -110.01 107.54 58.87 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.174 173.522 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 697' ' ' PRO . . . . . . . . . . . . . 79.3 Cg_exo -54.88 -34.84 87.22 Favored 'Trans proline' 0 N--CA 1.459 -0.549 0 C-N-CA 121.71 1.607 . . . . 0.0 111.174 -174.291 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 698' ' ' MET . . . . . . . . . . . . . 99.9 mmm -63.07 -29.63 70.96 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.15 -178.155 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 699' ' ' MET . . . . . . . . . . . . . 97.8 mmm -100.05 -2.67 33.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.188 -179.437 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 700' ' ' ARG . . . . . . . . . . . . . 78.6 ttt-85 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.19 -179.329 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 577' ' ' ASN . . . . . . . . . . . . . 96.9 m-20 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.789 0.328 . . . . 0.0 111.208 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 578' ' ' SER . . . . . . . . . . . . . 75.6 m -91.32 149.93 21.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.221 179.724 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 579' ' ' GLU . . . . . 0.5 ' HG2' ' HD3' ' A' ' 612' ' ' ARG . 92.7 mt-10 -137.07 49.99 2.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.211 -178.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 580' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -78.19 163.12 26.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.213 -178.035 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 581' ' ' ILE . . . . . . . . . . . . . 49.7 pt -66.8 159.21 4.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.194 175.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 47.9 pt -107.02 158.93 6.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.217 -173.619 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 583' ' ' ASN . . . . . 0.57 ' O ' ' SG ' ' A' ' 586' ' ' CYS . 75.6 m-20 -76.2 172.7 12.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.211 175.621 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 584' ' ' PHE . . . . . . . . . . . . . 77.2 m-85 -80.65 160.39 25.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.19 178.252 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 585' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 60.0 48.86 8.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.184 177.272 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 586' ' ' CYS . . . . . 0.57 ' SG ' ' O ' ' A' ' 583' ' ' ASN . 74.3 m -100.46 -4.45 28.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.212 175.517 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 587' ' ' ARG . . . . . . . . . . . . . 63.8 ttm-85 -56.84 -46.61 81.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.199 179.094 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 588' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -64.88 -32.86 74.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.175 -179.316 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 93.6 mt -67.36 -45.07 77.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.184 179.317 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 590' ' ' VAL . . . . . . . . . . . . . 62.2 t -64.18 -42.27 94.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.173 175.505 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 591' ' ' ALA . . . . . . . . . . . . . . . -75.96 -1.0 23.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.191 -176.328 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 74.0 m -60.4 -29.23 68.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.208 174.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 593' ' ' MET . . . . . . . . . . . . . 27.5 ttt -77.75 130.63 72.88 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.183 175.408 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_exo -52.44 -42.75 59.22 Favored 'Trans proline' 0 N--CA 1.458 -0.573 0 C-N-CA 121.689 1.592 . . . . 0.0 111.197 -178.139 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 595' ' ' LEU . . . . . . . . . . . . . 65.3 tp -60.79 -47.45 86.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.213 179.737 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 596' ' ' PHE . . . . . . . . . . . . . 11.5 m-30 -74.0 -21.57 59.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.218 -176.793 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 597' ' ' ALA . . . . . . . . . . . . . . . -71.88 -39.94 69.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.153 171.521 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 598' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -68.28 -32.35 72.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.23 175.009 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 599' ' ' ALA . . . . . . . . . . . . . . . -61.45 146.63 47.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.157 174.448 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 600' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -72.09 153.54 92.59 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.17 -176.295 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 601' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_exo -53.06 -29.4 44.8 Favored 'Trans proline' 0 N--CA 1.458 -0.595 0 C-N-CA 121.708 1.606 . . . . 0.0 111.223 179.532 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 602' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -64.67 -35.61 81.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.196 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 603' ' ' PHE . . . . . . . . . . . . . 80.4 m-85 -80.78 -37.65 29.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.199 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 604' ' ' VAL . . . . . . . . . . . . . 75.1 t -62.22 -44.31 98.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.187 177.064 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 605' ' ' THR . . . . . . . . . . . . . 97.0 m -54.79 -47.23 74.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.197 174.64 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 606' ' ' SER . . . . . . . . . . . . . 74.1 m -59.5 -42.2 91.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.204 178.649 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 65.9 mtt -57.99 -42.37 84.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.211 175.16 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 608' ' ' LEU . . . . . . . . . . . . . 91.7 mt -62.91 -41.64 99.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.253 -179.706 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 609' ' ' THR . . . . . . . . . . . . . 66.9 p -73.82 -22.24 59.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.197 -178.18 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 610' ' ' LYS . . . . . . . . . . . . . 65.4 mttm -99.65 3.35 45.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.261 174.048 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 611' ' ' LEU . . . . . . . . . . . . . 25.8 tp -70.09 127.19 31.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.221 -174.151 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 612' ' ' ARG . . . . . 0.5 ' HD3' ' HG2' ' A' ' 579' ' ' GLU . 99.2 mtt180 -100.81 124.14 46.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.205 -179.501 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 613' ' ' PHE . . . . . . . . . . . . . 18.4 t80 -90.33 120.39 31.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.208 179.46 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -121.3 131.55 54.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.249 -176.815 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 615' ' ' VAL . . . . . . . . . . . . . 97.0 t -102.44 141.39 18.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.193 177.73 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 616' ' ' PHE . . . . . 0.494 ' HB2' ' SG ' ' A' ' 679' ' ' CYS . 98.0 m-85 -136.89 146.11 45.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.238 -177.55 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 617' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -111.08 164.72 14.24 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.187 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 618' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_exo -51.72 127.5 23.06 Favored 'Trans proline' 0 N--CA 1.458 -0.583 0 C-N-CA 121.694 1.596 . . . . 0.0 111.212 179.337 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 619' ' ' GLY . . . . . . . . . . . . . . . 98.4 -17.63 58.22 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 175.6 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 620' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -70.34 138.39 51.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.779 0.323 . . . . 0.0 111.207 -177.732 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 621' ' ' TYR . . . . . . . . . . . . . 60.8 m-85 -91.79 139.27 30.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.188 173.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 622' ' ' ILE . . . . . . . . . . . . . 5.2 mp -103.08 -45.67 10.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.181 178.686 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 623' ' ' ILE . . . . . . . . . . . . . 93.7 mt -135.93 137.22 49.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.176 172.459 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 96.7 mtt-85 -110.05 149.05 30.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.202 -178.102 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 625' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -70.43 133.29 46.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.156 178.207 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 626' ' ' GLY . . . . . . . . . . . . . . . 96.82 6.03 58.33 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.169 -0.773 . . . . 0.0 111.169 178.218 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 627' ' ' THR . . . . . . . . . . . . . 44.7 p -107.73 152.48 24.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.794 0.33 . . . . 0.0 111.197 176.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 628' ' ' ILE . . . . . . . . . . . . . 46.8 mm -63.29 118.23 5.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.237 -177.816 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 629' ' ' GLY . . . . . . . . . . . . . . . -93.21 137.87 13.83 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 179.709 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 630' ' ' LYS . . . . . . . . . . . . . 64.1 pttt -171.47 26.77 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.82 0.343 . . . . 0.0 111.21 -179.607 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 631' ' ' LYS . . . . . . . . . . . . . 57.5 pttt -148.99 160.16 43.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.215 -176.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 632' ' ' MET . . . . . . . . . . . . . 38.7 ttm -136.74 144.75 43.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.218 179.186 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 633' ' ' TYR . . . . . . . . . . . . . 81.4 m-85 -118.97 129.45 55.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.194 -176.779 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 634' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -104.0 134.56 47.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.254 172.797 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 635' ' ' ILE . . . . . . . . . . . . . 75.4 mt -89.94 110.01 21.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.233 -169.268 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 67.8 tp60 -69.5 -49.9 50.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.194 172.658 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 637' ' ' HIS . . . . . . . . . . . . . 30.4 p80 -162.36 161.74 27.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.225 176.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 638' ' ' GLY . . . . . . . . . . . . . . . 100.67 175.07 29.6 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 111.237 -0.745 . . . . 0.0 111.237 178.615 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 639' ' ' VAL . . . . . . . . . . . . . 92.1 t -119.34 129.25 75.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.825 0.345 . . . . 0.0 111.2 -176.298 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 640' ' ' VAL . . . . . . . . . . . . . 34.3 m -122.94 159.86 26.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.228 176.286 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 641' ' ' SER . . . . . . . . . . . . . 41.3 t -122.6 123.93 42.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.203 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 642' ' ' VAL . . . . . . . . . . . . . 70.4 t -107.34 126.77 63.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.184 179.749 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 643' ' ' LEU . . . . . . . . . . . . . 67.2 tp -120.81 119.63 33.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.198 179.735 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 644' ' ' THR . . . . . . . . . . . . . 96.4 m -107.32 139.14 42.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.199 -177.774 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -54.55 118.95 4.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.21 -175.406 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 646' ' ' GLY . . . . . . . . . . . . . . . 74.78 15.62 80.71 Favored Glycine 0 CA--C 1.523 0.537 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 172.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 647' ' ' ASN . . . . . . . . . . . . . 21.6 m120 -131.63 158.13 41.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.807 0.337 . . . . 0.0 111.225 -177.515 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 648' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -64.76 137.89 58.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.228 -178.226 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 649' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -68.95 138.9 54.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.19 178.201 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 650' ' ' THR . . . . . . . . . . . . . 94.2 m -130.85 137.29 49.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.204 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 651' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -108.18 147.73 30.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.185 -177.714 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 81.1 mt -131.38 155.66 46.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.224 -176.522 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -139.33 -167.89 2.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.235 -174.259 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 654' ' ' ASP . . . . . . . . . . . . . 64.5 t0 -51.9 124.14 11.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.193 -178.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 655' ' ' GLY . . . . . . . . . . . . . . . 102.24 -9.96 56.42 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.201 -0.759 . . . . 0.0 111.201 175.171 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 656' ' ' SER . . . . . . . . . . . . . 69.2 m -98.09 179.96 4.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.778 0.323 . . . . 0.0 111.223 176.373 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 657' ' ' TYR . . . . . . . . . . . . . 47.2 p90 -157.56 164.14 37.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.188 178.013 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 658' ' ' PHE . . . . . 0.457 ' CE1' HG11 ' A' ' 673' ' ' VAL . 52.8 p90 -146.89 161.08 41.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.202 179.581 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 659' ' ' GLY . . . . . 0.434 ' O ' ' HB3' ' A' ' 662' ' ' CYS . . . 120.61 7.75 8.71 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 -176.486 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 660' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -61.0 -46.5 90.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.828 0.347 . . . . 0.0 111.21 175.204 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 661' ' ' ILE . . . . . 0.428 HG22 ' HG3' ' A' ' 669' ' ' ARG . 97.0 mt -68.59 -35.77 71.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.241 174.22 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 662' ' ' CYS . . . . . 0.434 ' HB3' ' O ' ' A' ' 659' ' ' GLY . 36.5 t -57.73 -46.22 84.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.217 178.557 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 663' ' ' LEU . . . . . 0.481 ' O ' ' OXT' ' A' ' 707' ' ' ALA . 94.3 mt -74.67 -39.59 61.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.197 178.255 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 67.3 tp -54.58 -48.09 72.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.197 179.417 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 665' ' ' THR . . . . . . . . . . . . . 93.2 m -91.17 107.63 19.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.197 178.422 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 666' ' ' ARG . . . . . 0.532 ' NH2' ' O ' ' A' ' 706' ' ' VAL . 99.4 mtt180 -71.38 -22.63 61.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.211 -175.624 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . -91.22 -136.98 7.14 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 176.519 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 90.0 mtm180 -79.64 127.31 32.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.815 0.341 . . . . 0.0 111.196 -178.22 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 669' ' ' ARG . . . . . 0.428 ' HG3' HG22 ' A' ' 661' ' ' ILE . 76.6 ttt180 -71.96 142.56 49.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.186 -178.02 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 670' ' ' THR . . . . . . . . . . . . . 40.5 p -98.82 39.77 1.24 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.19 178.14 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 671' ' ' ALA . . . . . . . . . . . . . . . -158.54 161.44 37.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.169 -179.012 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 672' ' ' SER . . . . . . . . . . . . . 92.1 p -137.65 165.5 26.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.166 178.131 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 673' ' ' VAL . . . . . 0.457 HG11 ' CE1' ' A' ' 658' ' ' PHE . 4.4 p -151.47 138.79 13.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.211 -179.561 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 674' ' ' ARG . . . . . . . . . . . . . 38.1 ptt180 -141.9 158.54 43.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.19 179.673 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 675' ' ' ALA . . . . . . . . . . . . . . . -84.82 130.8 34.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.196 -175.349 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 676' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -90.61 -33.12 15.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.221 174.319 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 44.2 p -133.14 165.3 25.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.215 172.133 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 678' ' ' TYR . . . . . . . . . . . . . 87.7 t80 -53.06 123.77 12.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.202 177.355 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 679' ' ' CYS . . . . . 0.494 ' SG ' ' HB2' ' A' ' 616' ' ' PHE . 31.8 p -143.93 164.37 30.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.17 -170.592 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 680' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -140.15 133.22 29.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.203 177.328 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 681' ' ' LEU . . . . . . . . . . . . . 59.9 mt -123.58 155.56 37.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.229 -167.56 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 682' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -106.65 125.39 50.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.214 171.159 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 683' ' ' SER . . . . . . . . . . . . . 42.1 t -107.3 121.59 44.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.215 -169.594 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 684' ' ' LEU . . . . . . . . . . . . . 95.6 mt -115.55 149.79 37.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.222 165.459 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 78.1 p -127.25 160.29 31.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.21 -177.678 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 686' ' ' VAL . . . . . . . . . . . . . 57.6 t -66.33 -36.53 77.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.186 173.578 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 687' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -55.42 -38.88 69.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.211 174.393 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 688' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 -67.95 -38.12 82.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.186 173.528 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 689' ' ' PHE . . . . . . . . . . . . . 20.0 m-30 -69.19 -23.07 63.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.21 -178.382 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 690' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -69.29 -15.08 63.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.183 173.341 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 691' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -103.64 -29.69 10.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.184 173.578 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 692' ' ' VAL . . . . . . . . . . . . . 93.4 t -86.48 -69.73 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.191 179.638 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 693' ' ' LEU . . . . . . . . . . . . . 95.3 mt -77.29 -21.09 54.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.196 -168.659 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 694' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -96.08 20.39 10.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.201 172.612 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 695' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -72.65 -40.03 66.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.197 175.262 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 696' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -122.34 139.49 30.83 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.211 -179.572 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 697' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_exo -53.48 -33.6 68.28 Favored 'Trans proline' 0 N--CA 1.458 -0.581 0 C-N-CA 121.638 1.559 . . . . 0.0 111.197 178.487 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 698' ' ' MET . . . . . . . . . . . . . 99.8 mmm -59.96 -31.46 69.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.197 -177.621 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 699' ' ' MET . . . . . . . . . . . . . 63.2 tpp -99.97 -20.03 16.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.193 -179.558 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 700' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -60.81 -41.35 95.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.187 171.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -59.99 -36.91 78.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.194 179.525 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 702' ' ' ALA . . . . . . . . . . . . . . . -76.96 -39.74 49.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.208 176.404 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 703' ' ' PHE . . . . . . . . . . . . . 54.4 t80 -61.05 -34.32 74.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.221 -177.629 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 704' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -59.19 -30.19 68.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.209 176.322 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 705' ' ' THR . . . . . . . . . . . . . 94.8 m -82.05 -40.35 22.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.215 177.305 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 706' ' ' VAL . . . . . 0.532 ' O ' ' NH2' ' A' ' 666' ' ' ARG . 72.9 t -58.05 130.15 20.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.169 177.079 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 707' ' ' ALA . . . . . 0.481 ' OXT' ' O ' ' A' ' 663' ' ' LEU . . . . . . . . 0 C--O 1.2 -1.511 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.183 177.641 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 577' ' ' ASN . . . . . . . . . . . . . 72.9 m-80 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.727 0.299 . . . . 0.0 111.143 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 578' ' ' SER . . . . . . . . . . . . . 68.7 m -67.93 145.95 54.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.183 179.345 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -126.26 63.31 1.25 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.17 178.434 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 580' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -80.28 157.71 26.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.21 -172.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 581' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.88 140.01 20.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.2 178.022 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 49.3 pt -59.96 153.38 4.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.237 -176.733 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 583' ' ' ASN . . . . . 0.438 ' O ' ' HB2' ' A' ' 586' ' ' CYS . 96.1 m-20 -88.14 159.97 17.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.237 -178.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 584' ' ' PHE . . . . . . . . . . . . . 92.3 t80 -56.06 139.3 47.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.225 178.027 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 585' ' ' ASN . . . . . . . . . . . . . 29.0 t30 79.87 23.3 0.46 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.178 177.544 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 586' ' ' CYS . . . . . 0.438 ' HB2' ' O ' ' A' ' 583' ' ' ASN . 38.3 t -69.95 -31.77 69.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.209 178.223 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 587' ' ' ARG . . . . . . . . . . . . . 62.8 ttm-85 -51.62 -46.93 63.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.173 176.247 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 588' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -62.13 -41.76 98.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.204 177.554 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 95.9 mt -61.24 -36.76 80.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.196 -178.701 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 590' ' ' VAL . . . . . . . . . . . . . 79.3 t -67.97 -48.65 73.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.218 174.589 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 591' ' ' ALA . . . . . . . . . . . . . . . -60.06 -28.17 67.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.168 178.477 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 72.4 m -68.99 -25.56 64.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.194 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 593' ' ' MET . . . . . . . . . . . . . 55.1 ttm -67.68 120.08 70.77 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.219 178.541 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_exo -48.15 -44.01 29.61 Favored 'Trans proline' 0 N--CA 1.458 -0.611 0 C-N-CA 121.715 1.61 . . . . 0.0 111.205 177.443 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 595' ' ' LEU . . . . . . . . . . . . . 52.6 tp -52.97 -39.79 63.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.208 -178.205 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 596' ' ' PHE . . . . . . . . . . . . . 44.6 m-85 -117.92 26.89 9.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.226 -176.744 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 597' ' ' ALA . . . . . . . . . . . . . . . -61.07 -34.26 74.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.225 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 598' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -110.24 20.13 18.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.183 -178.487 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 599' ' ' ALA . . . . . . . . . . . . . . . -68.38 150.87 47.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.183 -177.386 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 600' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -64.54 135.0 96.18 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.241 178.204 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 601' ' ' PRO . . . . . . . . . . . . . 78.7 Cg_exo -50.54 -37.5 52.5 Favored 'Trans proline' 0 N--CA 1.458 -0.574 0 C-N-CA 121.706 1.604 . . . . 0.0 111.193 -179.204 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 602' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -73.19 -40.59 64.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.173 -179.034 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 603' ' ' PHE . . . . . . . . . . . . . 84.0 t80 -55.85 -45.9 78.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.206 173.658 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 604' ' ' VAL . . . . . . . . . . . . . 61.6 t -59.22 -49.98 81.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.202 177.536 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 605' ' ' THR . . . . . . . . . . . . . 99.5 m -49.93 -43.31 49.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.199 177.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 606' ' ' SER . . . . . . . . . . . . . 74.1 m -65.97 -47.35 74.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.2 178.144 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 91.2 mmm -57.7 -34.21 69.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.224 -178.774 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 608' ' ' LEU . . . . . . . . . . . . . 83.3 mt -60.75 -27.75 68.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.225 -177.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 609' ' ' THR . . . . . . . . . . . . . 69.1 p -88.93 -4.99 58.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.165 -179.539 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 610' ' ' LYS . . . . . 0.435 ' HB3' ' HB3' ' A' ' 688' ' ' ASN . 75.3 mmtt -106.73 -25.32 11.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.166 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 611' ' ' LEU . . . . . . . . . . . . . 89.8 mt -63.43 146.54 53.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.203 176.39 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 612' ' ' ARG . . . . . . . . . . . . . 91.3 mmt-85 -132.78 127.1 33.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.176 175.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 613' ' ' PHE . . . . . . . . . . . . . 80.2 t80 -84.0 136.57 34.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.189 -171.516 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -147.79 130.51 16.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.151 -178.743 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 615' ' ' VAL . . . . . 0.569 HG22 ' HG2' ' A' ' 680' ' ' ARG . 90.1 t -97.1 143.75 11.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.192 179.356 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 616' ' ' PHE . . . . . 0.616 ' HB2' ' SG ' ' A' ' 679' ' ' CYS . 87.2 m-85 -126.26 146.25 50.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.213 -177.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 617' ' ' GLN . . . . . . . . . . . . . 96.8 mm-40 -101.38 164.09 16.64 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.189 -175.392 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 618' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -52.46 121.75 9.59 Favored 'Trans proline' 0 N--CA 1.458 -0.569 0 C-N-CA 121.753 1.635 . . . . 0.0 111.172 175.759 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 619' ' ' GLY . . . . . . . . . . . . . . . 92.5 -11.34 72.33 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 176.001 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 620' ' ' ASP . . . . . . . . . . . . . 54.8 t0 -70.32 130.16 41.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.817 0.342 . . . . 0.0 111.147 -178.288 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 621' ' ' TYR . . . . . 0.476 ' CZ ' ' HD3' ' A' ' 674' ' ' ARG . 73.2 m-85 -82.18 142.5 32.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.201 179.31 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 622' ' ' ILE . . . . . . . . . . . . . 4.0 mp -109.47 -40.27 4.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.217 178.252 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 623' ' ' ILE . . . . . . . . . . . . . 83.4 mt -131.33 133.21 62.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.174 177.117 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -101.78 135.28 43.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.232 179.774 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 625' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -67.04 129.88 41.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.189 -179.638 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 626' ' ' GLY . . . . . . . . . . . . . . . 74.96 16.04 80.74 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.194 -0.763 . . . . 0.0 111.194 175.84 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 627' ' ' THR . . . . . . . . . . . . . 98.1 m -109.04 128.8 55.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.856 0.36 . . . . 0.0 111.171 178.52 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 628' ' ' ILE . . . . . . . . . . . . . 18.9 tt -64.95 147.62 12.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.202 -176.091 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 629' ' ' GLY . . . . . . . . . . . . . . . 141.87 108.63 0.71 Allowed Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.245 -0.742 . . . . 0.0 111.245 179.761 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 630' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -93.96 79.96 4.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.823 0.344 . . . . 0.0 111.223 -178.413 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 631' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -129.2 138.51 51.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.22 175.578 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 632' ' ' MET . . . . . . . . . . . . . 26.9 ptm -110.06 165.97 11.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.206 172.724 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 633' ' ' TYR . . . . . . . . . . . . . 83.9 m-85 -139.49 136.91 35.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.164 -175.857 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 634' ' ' PHE . . . . . . . . . . . . . 91.4 t80 -101.99 134.82 44.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.209 170.178 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 635' ' ' ILE . . . . . . . . . . . . . 68.1 mt -88.31 98.66 7.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.233 -177.637 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 23.5 tm0? -70.46 -35.21 73.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.181 179.128 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 637' ' ' HIS . . . . . . . . . . . . . 77.8 t60 -169.84 140.14 2.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.14 175.529 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 638' ' ' GLY . . . . . . . . . . . . . . . 123.72 -153.72 17.37 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.206 -0.758 . . . . 0.0 111.206 178.538 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 639' ' ' VAL . . . . . . . . . . . . . 7.1 p -158.07 130.86 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.856 0.36 . . . . 0.0 111.204 -179.135 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 640' ' ' VAL . . . . . . . . . . . . . 28.6 m -124.91 160.04 30.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.154 178.629 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 641' ' ' SER . . . . . . . . . . . . . 53.4 m -110.06 127.39 54.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.246 174.528 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 642' ' ' VAL . . . . . . . . . . . . . 61.8 t -109.61 111.25 35.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.2 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 643' ' ' LEU . . . . . . . . . . . . . 65.6 tp -103.51 120.1 40.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.183 -178.331 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 644' ' ' THR . . . . . . . . . . . . . 93.3 m -108.14 137.36 46.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.198 -177.618 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 89.3 tttt -56.15 120.85 8.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.21 -176.855 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 646' ' ' GLY . . . . . . . . . . . . . . . 74.43 15.09 80.48 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 172.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 647' ' ' ASN . . . . . . . . . . . . . 65.0 m-80 -134.77 157.75 45.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.835 0.35 . . . . 0.0 111.179 -178.145 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 648' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -65.12 137.46 57.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.198 179.241 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 649' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -65.05 137.01 57.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.229 179.046 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 650' ' ' THR . . . . . . . . . . . . . 96.8 m -120.05 133.56 55.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.2 179.598 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 651' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -100.75 137.07 39.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.231 -177.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 78.6 mt -124.68 147.48 48.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.213 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -133.46 177.77 7.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.174 -172.822 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 654' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -38.42 120.04 0.87 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.167 176.292 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 655' ' ' GLY . . . . . . . . . . . . . . . 109.64 -13.41 32.65 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.206 -0.757 . . . . 0.0 111.206 175.741 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 656' ' ' SER . . . . . . . . . . . . . 69.4 m -99.83 177.83 5.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.776 0.322 . . . . 0.0 111.207 -179.274 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 657' ' ' TYR . . . . . . . . . . . . . 25.9 p90 -152.78 167.96 27.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.23 179.786 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 658' ' ' PHE . . . . . . . . . . . . . 46.5 p90 -156.74 168.36 27.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.24 178.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 659' ' ' GLY . . . . . 0.502 ' O ' ' HB3' ' A' ' 662' ' ' CYS . . . 98.6 -2.4 58.82 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 -178.243 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 660' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -55.23 -50.08 70.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.833 0.349 . . . . 0.0 111.202 176.226 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 661' ' ' ILE . . . . . 0.414 ' HB ' ' CZ ' ' A' ' 669' ' ' ARG . 91.6 mt -63.25 -38.2 81.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.276 178.035 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 662' ' ' CYS . . . . . 0.502 ' HB3' ' O ' ' A' ' 659' ' ' GLY . 49.8 t -56.61 -44.13 80.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.215 178.135 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 663' ' ' LEU . . . . . . . . . . . . . 6.0 mp -68.38 -39.39 81.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.183 178.334 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 87.6 mt -67.98 -36.41 79.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.182 -178.176 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 665' ' ' THR . . . . . . . . . . . . . 55.5 p -100.66 -165.21 1.19 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.216 -176.055 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 666' ' ' ARG . . . . . . . . . . . . . 37.3 ptt180 -63.53 163.84 10.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.184 172.194 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . -65.09 -33.84 88.17 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 -178.64 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 75.3 mtp180 -83.09 70.0 9.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.784 0.326 . . . . 0.0 111.203 -178.253 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 669' ' ' ARG . . . . . 0.414 ' CZ ' ' HB ' ' A' ' 661' ' ' ILE . 79.5 ttt180 -67.01 140.21 57.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.218 179.332 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 670' ' ' THR . . . . . . . . . . . . . 37.4 p -83.35 58.36 4.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.192 178.787 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 671' ' ' ALA . . . . . . . . . . . . . . . -162.28 154.78 19.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.196 -179.701 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 672' ' ' SER . . . . . . . . . . . . . 94.9 p -131.31 155.79 46.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.184 179.509 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 673' ' ' VAL . . . . . . . . . . . . . 52.7 t -134.86 131.12 53.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.226 -178.835 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 674' ' ' ARG . . . . . 0.476 ' HD3' ' CZ ' ' A' ' 621' ' ' TYR . 56.4 ttp180 -133.21 133.68 43.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.208 -179.015 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 675' ' ' ALA . . . . . . . . . . . . . . . -73.39 132.79 43.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.176 179.153 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 676' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -87.07 -17.37 33.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.156 -178.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 13.7 t -160.8 -171.93 3.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.175 176.117 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 678' ' ' TYR . . . . . . . . . . . . . 91.3 t80 -57.67 118.97 5.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.233 173.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 679' ' ' CYS . . . . . 0.616 ' SG ' ' HB2' ' A' ' 616' ' ' PHE . 31.4 p -144.61 162.0 37.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.192 -175.486 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 680' ' ' ARG . . . . . 0.569 ' HG2' HG22 ' A' ' 615' ' ' VAL . 99.2 mtt180 -130.77 116.86 18.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.197 -175.477 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 681' ' ' LEU . . . . . . . . . . . . . 58.7 mt -114.27 154.32 28.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.18 -173.693 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 682' ' ' TYR . . . . . . . . . . . . . 55.8 m-85 -107.18 120.09 41.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.213 167.059 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 683' ' ' SER . . . . . . . . . . . . . 37.8 t -86.7 138.06 31.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.201 -176.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 684' ' ' LEU . . . . . 0.412 HD13 ' C ' ' A' ' 684' ' ' LEU . 3.0 tm? -143.86 110.04 5.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.192 177.881 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 76.5 p -81.48 154.38 26.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.202 -178.025 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 686' ' ' VAL . . . . . . . . . . . . . 6.4 p -60.22 -30.67 46.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.205 175.783 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 687' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -66.35 -43.38 86.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.195 175.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 688' ' ' ASN . . . . . 0.435 ' HB3' ' HB3' ' A' ' 610' ' ' LYS . 91.8 m-20 -62.53 -39.97 95.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.191 176.122 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 689' ' ' PHE . . . . . 0.402 ' CE2' ' O ' ' A' ' 707' ' ' ALA . 89.3 t80 -60.37 -47.2 87.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.184 175.233 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 690' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -66.97 -34.34 77.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.199 -178.345 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 691' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -54.69 -46.61 74.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.221 178.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 692' ' ' VAL . . . . . . . . . . . . . 79.3 t -59.92 -40.09 81.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.22 177.528 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 693' ' ' LEU . . . . . . . . . . . . . 89.3 mt -64.79 -38.32 90.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.26 -179.73 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 694' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -69.89 -40.12 75.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.175 177.237 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 695' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -64.81 -42.07 95.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.172 -177.313 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 696' ' ' TYR . . . . . . . . . . . . . 88.9 m-85 -119.9 98.59 49.39 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.186 -177.773 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 697' ' ' PRO . . . . . . . . . . . . . 75.7 Cg_exo -54.54 -32.19 73.02 Favored 'Trans proline' 0 N--CA 1.458 -0.589 0 C-N-CA 121.684 1.589 . . . . 0.0 111.228 178.738 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 698' ' ' MET . . . . . . . . . . . . . 99.9 mmm -62.8 -32.37 73.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.174 -178.816 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 699' ' ' MET . . . . . . . . . . . . . 36.9 mmt -96.32 -19.58 19.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.206 179.335 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 700' ' ' ARG . . . . . . . . . . . . . 37.1 ttm180 -47.07 -53.97 11.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.204 179.476 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -79.84 -34.03 39.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.18 -176.81 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 702' ' ' ALA . . . . . . . . . . . . . . . -57.34 -45.04 84.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.19 -177.129 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 703' ' ' PHE . . . . . . . . . . . . . 85.6 m-85 -106.16 19.97 19.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.201 -178.429 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 704' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -59.52 -30.44 68.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.203 175.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 705' ' ' THR . . . . . . . . . . . . . 67.0 p -100.17 13.51 33.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.194 -176.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 706' ' ' VAL . . . . . . . . . . . . . 85.7 t -111.54 139.86 33.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.245 -178.846 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 707' ' ' ALA . . . . . 0.402 ' O ' ' CE2' ' A' ' 689' ' ' PHE . . . . . . . . 0 C--O 1.2 -1.5 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.22 179.014 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 577' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.81 0.338 . . . . 0.0 111.18 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 578' ' ' SER . . . . . . . . . . . . . 82.7 p -80.95 166.45 20.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.174 -179.322 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 -140.03 74.64 1.47 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.166 177.722 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 580' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -91.13 170.0 10.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.188 -176.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 581' ' ' ILE . . . . . . . . . . . . . 97.5 mt -70.46 119.77 17.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.192 175.851 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 49.9 pt -65.09 152.39 9.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.174 -174.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 583' ' ' ASN . . . . . . . . . . . . . 74.9 m-80 -99.81 160.01 14.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.187 174.756 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 584' ' ' PHE . . . . . . . . . . . . . 88.6 m-85 -81.21 177.79 8.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.207 178.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 585' ' ' ASN . . . . . . . . . . . . . 32.5 t30 75.71 23.16 1.44 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.173 -178.834 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 586' ' ' CYS . . . . . . . . . . . . . 79.0 m -99.9 4.15 44.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.233 177.71 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 587' ' ' ARG . . . . . . . . . . . . . 71.5 ttp85 -60.25 -40.49 90.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.207 176.138 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 588' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -65.45 -35.71 81.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.206 178.676 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 75.9 mt -64.59 -51.76 61.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.21 176.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 590' ' ' VAL . . . . . . . . . . . . . 66.0 t -58.62 -42.58 85.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.18 178.793 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 591' ' ' ALA . . . . . . . . . . . . . . . -69.79 -15.01 63.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.234 -175.071 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 75.6 m -61.06 -38.1 85.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.218 -179.296 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 593' ' ' MET . . . . . . . . . . . . . 10.9 tpt -68.2 121.27 79.6 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.199 175.733 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_exo -51.01 -41.47 56.46 Favored 'Trans proline' 0 N--CA 1.458 -0.563 0 C-N-CA 121.698 1.598 . . . . 0.0 111.176 -178.137 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 595' ' ' LEU . . . . . . . . . . . . . 5.9 mp -64.81 -28.3 69.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.183 -177.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 596' ' ' PHE . . . . . . . . . . . . . 14.8 m-30 -88.99 -25.91 21.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.195 179.642 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 597' ' ' ALA . . . . . . . . . . . . . . . -68.21 -36.08 78.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.147 173.066 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 598' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -71.41 -24.18 62.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.227 175.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 599' ' ' ALA . . . . . . . . . . . . . . . -70.05 155.13 41.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.217 177.718 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 600' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -57.67 147.52 61.08 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.176 -179.174 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 601' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_exo -51.99 -36.21 63.92 Favored 'Trans proline' 0 N--CA 1.458 -0.611 0 C-N-CA 121.709 1.606 . . . . 0.0 111.226 175.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 602' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -70.22 -38.32 75.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.141 178.301 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 603' ' ' PHE . . . . . . . . . . . . . 12.8 m-30 -60.74 -40.73 93.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.19 174.467 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 604' ' ' VAL . . . . . . . . . . . . . 67.5 t -60.42 -49.61 83.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.172 177.02 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 605' ' ' THR . . . . . . . . . . . . . 96.8 m -55.02 -46.62 75.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.196 175.576 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 606' ' ' SER . . . . . . . . . . . . . 72.9 m -60.04 -46.11 90.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.201 -179.079 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 68.9 mtm -60.02 -40.18 88.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.206 177.476 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 608' ' ' LEU . . . . . 0.795 ' O ' HD23 ' A' ' 608' ' ' LEU . 3.3 tt -53.66 -40.26 65.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.247 178.509 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 609' ' ' THR . . . . . . . . . . . . . 69.2 p -84.72 -8.63 58.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.185 -174.797 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 610' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -99.49 5.01 46.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.164 176.158 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 611' ' ' LEU . . . . . . . . . . . . . 92.8 mt -66.29 148.16 52.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.177 176.626 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 612' ' ' ARG . . . . . . . . . . . . . 74.3 ttt180 -113.03 123.7 50.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.168 171.131 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 613' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -80.08 106.31 12.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.163 -174.712 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -115.12 115.63 27.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.184 -175.568 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 615' ' ' VAL . . . . . . . . . . . . . 94.2 t -96.19 140.82 16.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.236 178.725 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 616' ' ' PHE . . . . . . . . . . . . . 99.4 m-85 -130.61 143.79 50.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.122 -175.345 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 617' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -100.81 161.83 22.59 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.23 178.101 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 618' ' ' PRO . . . . . . . . . . . . . 79.4 Cg_exo -52.32 121.57 9.2 Favored 'Trans proline' 0 N--CA 1.458 -0.613 0 C-N-CA 121.72 1.613 . . . . 0.0 111.21 175.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 619' ' ' GLY . . . . . . . . . . . . . . . 96.81 -16.54 60.81 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.176 -0.77 . . . . 0.0 111.176 178.014 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 620' ' ' ASP . . . . . . . . . . . . . 59.3 t0 -70.16 129.32 39.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.843 0.354 . . . . 0.0 111.214 -179.399 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 621' ' ' TYR . . . . . 0.414 ' CZ ' ' HD3' ' A' ' 674' ' ' ARG . 57.6 m-85 -82.8 138.08 34.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.204 -177.199 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 622' ' ' ILE . . . . . . . . . . . . . 75.3 mt -101.72 -44.89 10.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.233 177.523 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 623' ' ' ILE . . . . . . . . . . . . . 70.4 mt -129.96 139.14 52.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.18 177.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 34.6 mmt180 -105.75 140.71 38.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.222 176.856 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 625' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -71.64 134.77 46.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.233 178.023 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 626' ' ' GLY . . . . . . . . . . . . . . . 88.69 12.97 63.61 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.234 -0.746 . . . . 0.0 111.234 176.059 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 627' ' ' THR . . . . . . . . . . . . . 47.2 p -117.38 165.27 13.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.83 0.348 . . . . 0.0 111.17 179.099 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 628' ' ' ILE . . . . . 0.407 ' HA ' ' HA ' ' A' ' 668' ' ' ARG . 97.1 mt -66.61 129.49 31.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.165 -178.616 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 629' ' ' GLY . . . . . . . . . . . . . . . -127.55 107.97 0.92 Allowed Glycine 0 CA--C 1.523 0.559 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 179.647 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 630' ' ' LYS . . . . . . . . . . . . . 23.1 pttp -141.33 33.1 1.69 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.8 0.333 . . . . 0.0 111.237 -178.721 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 631' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -129.99 137.96 50.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.192 175.661 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 632' ' ' MET . . . . . . . . . . . . . 90.1 mmm -78.45 145.19 35.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.207 167.311 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 633' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -128.25 125.74 39.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.189 175.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 634' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -117.74 134.14 55.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.184 178.761 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 635' ' ' ILE . . . . . . . . . . . . . 66.1 mt -98.94 113.54 34.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.149 -172.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 -89.94 -40.06 12.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.209 177.06 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 637' ' ' HIS . . . . . . . . . . . . . 99.5 m-70 -141.53 151.15 43.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.224 174.385 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 638' ' ' GLY . . . . . . . . . . . . . . . 99.08 175.55 31.81 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 168.257 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 639' ' ' VAL . . . . . . . . . . . . . 89.7 t -123.21 136.56 59.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.774 0.321 . . . . 0.0 111.197 -178.052 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 640' ' ' VAL . . . . . . . . . . . . . 25.1 m -127.73 159.94 37.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.196 177.182 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 641' ' ' SER . . . . . . . . . . . . . 48.4 m -113.75 127.63 56.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.216 173.614 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 642' ' ' VAL . . . . . . . . . . . . . 86.3 t -109.88 111.59 36.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.21 179.488 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 643' ' ' LEU . . . . . . . . . . . . . 64.9 tp -107.81 120.06 41.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.207 -177.197 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 644' ' ' THR . . . . . . . . . . . . . 93.9 m -109.7 138.15 46.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.15 -178.525 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -54.11 119.79 5.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.2 -175.805 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 646' ' ' GLY . . . . . . . . . . . . . . . 74.51 15.19 80.54 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.196 -0.761 . . . . 0.0 111.196 172.73 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 647' ' ' ASN . . . . . . . . . . . . . 65.1 m-80 -133.01 157.27 45.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.838 0.351 . . . . 0.0 111.203 -177.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 648' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -65.07 136.86 57.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.209 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 649' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -65.23 137.4 57.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.18 178.434 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 650' ' ' THR . . . . . . . . . . . . . 98.3 m -109.76 130.45 55.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.18 -179.392 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 651' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -95.57 124.38 39.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.164 179.515 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 88.4 mt -122.6 148.88 44.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.219 -177.532 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -142.88 -169.55 3.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.204 -174.29 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 654' ' ' ASP . . . . . . . . . . . . . 64.2 t0 -44.83 120.93 2.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.238 176.046 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 655' ' ' GLY . . . . . . . . . . . . . . . 99.57 -4.95 58.32 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 176.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 656' ' ' SER . . . . . . . . . . . . . 48.1 m -96.03 174.37 6.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.794 0.33 . . . . 0.0 111.201 179.316 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 657' ' ' TYR . . . . . . . . . . . . . 34.3 p90 -158.9 168.55 26.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.196 178.192 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 658' ' ' PHE . . . . . . . . . . . . . 41.7 p90 -159.6 163.19 35.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.142 177.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 659' ' ' GLY . . . . . 0.555 ' O ' ' HB2' ' A' ' 662' ' ' CYS . . . 111.77 17.56 8.45 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.147 -0.781 . . . . 0.0 111.147 -176.798 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 660' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -55.94 -35.96 67.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.809 0.338 . . . . 0.0 111.235 -178.053 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 661' ' ' ILE . . . . . 0.429 HD12 HH21 ' A' ' 669' ' ' ARG . 94.5 mt -69.28 -28.42 38.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.228 179.042 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 662' ' ' CYS . . . . . 0.555 ' HB2' ' O ' ' A' ' 659' ' ' GLY . 91.5 m -64.61 -23.68 67.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.194 -173.725 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 663' ' ' LEU . . . . . . . . . . . . . 96.4 mt -81.68 -18.98 42.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.249 178.187 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 85.2 mt -107.5 -19.03 13.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.238 -174.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 665' ' ' THR . . . . . . . . . . . . . 89.8 m -129.44 129.98 45.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.187 -178.815 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 666' ' ' ARG . . . . . . . . . . . . . 69.1 ttt180 -109.93 50.05 0.81 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.188 -178.609 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . -152.21 -153.26 6.2 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 -177.433 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 668' ' ' ARG . . . . . 0.407 ' HA ' ' HA ' ' A' ' 628' ' ' ILE . 96.8 mtt-85 -79.41 144.56 34.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.746 0.308 . . . . 0.0 111.211 -177.539 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 669' ' ' ARG . . . . . 0.429 HH21 HD12 ' A' ' 661' ' ' ILE . 31.9 mtp-105 -120.01 155.53 32.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.168 -178.722 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 670' ' ' THR . . . . . . . . . . . . . 45.1 p -104.9 55.13 0.71 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.22 -177.25 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 671' ' ' ALA . . . . . . . . . . . . . . . -154.97 154.37 32.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.18 178.413 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 672' ' ' SER . . . . . . . . . . . . . 96.2 p -132.81 155.11 49.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.205 179.207 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 673' ' ' VAL . . . . . . . . . . . . . 61.3 t -135.72 132.37 51.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.203 -179.42 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 674' ' ' ARG . . . . . 0.414 ' HD3' ' CZ ' ' A' ' 621' ' ' TYR . 57.1 ttp180 -132.29 135.0 45.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.204 -178.876 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 675' ' ' ALA . . . . . . . . . . . . . . . -76.39 140.29 41.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.228 -179.204 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 676' ' ' ASP . . . . . . . . . . . . . 64.6 m-20 -102.44 -32.92 9.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.159 -178.606 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 677' ' ' THR . . . . . 0.469 ' O ' ' SG ' ' A' ' 679' ' ' CYS . 33.6 p -125.76 -179.18 4.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.243 179.772 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 678' ' ' TYR . . . . . . . . . . . . . 74.5 t80 -60.16 100.08 0.09 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.236 167.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 679' ' ' CYS . . . . . 0.469 ' SG ' ' O ' ' A' ' 677' ' ' THR . 72.0 m -110.21 145.05 37.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.204 -168.037 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 680' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -122.87 107.25 11.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.166 175.605 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 681' ' ' LEU . . . . . . . . . . . . . 6.1 mp -117.88 159.98 22.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.164 -172.537 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 682' ' ' TYR . . . . . . . . . . . . . 87.5 m-85 -125.03 124.41 41.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.243 173.491 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 683' ' ' SER . . . . . . . . . . . . . 96.7 p -98.04 151.72 20.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.218 -178.105 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 684' ' ' LEU . . . . . . . . . . . . . 50.5 tp -148.87 106.52 3.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.2 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 82.6 p -70.31 156.62 39.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.208 -175.706 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 686' ' ' VAL . . . . . 0.46 HG11 ' O ' ' A' ' 707' ' ' ALA . 29.1 m -62.9 -26.44 40.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.246 172.652 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 687' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -64.73 -44.26 90.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.171 175.223 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 688' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -63.16 -43.62 97.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.196 176.237 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 689' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -58.41 -43.33 88.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.174 176.041 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 690' ' ' ASN . . . . . . . . . . . . . 99.8 m-20 -60.21 -43.01 96.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.197 178.46 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 691' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -59.25 -41.06 87.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.188 177.668 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 692' ' ' VAL . . . . . . . . . . . . . 53.1 t -64.91 -44.51 96.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.196 177.508 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 693' ' ' LEU . . . . . . . . . . . . . 95.4 mt -64.68 -32.3 73.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.218 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 694' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -86.87 9.1 20.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.184 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 695' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -69.85 -43.94 70.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.204 176.122 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 696' ' ' TYR . . . . . . . . . . . . . 19.9 m-30 -100.13 124.71 42.37 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.19 178.03 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 697' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_exo -54.33 -37.1 88.7 Favored 'Trans proline' 0 N--CA 1.458 -0.596 0 C-N-CA 121.745 1.63 . . . . 0.0 111.175 178.53 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 698' ' ' MET . . . . . . . . . . . . . 99.7 mmm -65.34 -28.49 69.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.209 -176.168 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 699' ' ' MET . . . . . . . . . . . . . 98.4 mmm -118.52 18.57 13.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.198 -178.308 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 700' ' ' ARG . . . . . . . . . . . . . 63.6 ttm-85 -60.01 -39.66 86.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.151 -169.275 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 82.2 mtp180 -87.79 8.99 23.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.219 -172.191 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 702' ' ' ALA . . . . . . . . . . . . . . . -62.39 -23.41 66.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.204 175.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 703' ' ' PHE . . . . . . . . . . . . . 9.8 p90 -60.16 -23.05 63.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.204 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 704' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -60.93 -26.81 67.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.21 -177.346 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 705' ' ' THR . . . . . . . . . . . . . 62.8 p -90.62 2.33 55.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.163 -177.416 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 706' ' ' VAL . . . . . . . . . . . . . 95.4 t -113.19 137.33 46.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.183 -179.46 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 707' ' ' ALA . . . . . 0.46 ' O ' HG11 ' A' ' 686' ' ' VAL . . . . . . . . 0 C--O 1.2 -1.549 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.177 178.248 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 577' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.809 0.337 . . . . 0.0 111.15 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 578' ' ' SER . . . . . . . . . . . . . 82.4 p -74.05 170.07 16.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.201 -176.524 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -124.94 60.17 1.2 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.156 -178.04 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 580' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -72.93 177.54 4.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.205 -177.815 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 581' ' ' ILE . . . . . . . . . . . . . 97.0 mt -65.99 128.98 29.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.214 -172.555 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 582' ' ' ILE . . . . . 0.409 HD13 ' HB2' ' A' ' 613' ' ' PHE . 48.6 mm -80.49 124.47 38.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.163 177.918 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 583' ' ' ASN . . . . . 0.549 ' O ' ' SG ' ' A' ' 586' ' ' CYS . 95.7 m-20 -77.14 170.34 16.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.23 178.289 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 584' ' ' PHE . . . . . . . . . . . . . 76.6 m-85 -80.07 156.77 26.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.181 -179.322 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 585' ' ' ASN . . . . . . . . . . . . . 89.8 m-20 59.93 49.71 7.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.226 176.307 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 586' ' ' CYS . . . . . 0.549 ' SG ' ' O ' ' A' ' 583' ' ' ASN . 91.1 m -96.08 -9.33 31.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.218 176.817 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 587' ' ' ARG . . . . . 0.462 ' HB3' HD11 ' A' ' 608' ' ' LEU . 34.4 ptt-85 -60.24 -25.9 66.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.235 176.573 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 588' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -65.97 -34.67 78.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.232 175.256 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 91.7 mt -72.81 -47.44 46.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.226 177.429 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 590' ' ' VAL . . . . . . . . . . . . . 66.9 t -55.95 -46.29 80.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.175 177.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 591' ' ' ALA . . . . . . . . . . . . . . . -79.49 0.62 28.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.215 -173.001 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 73.7 m -65.17 -32.0 73.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.166 175.295 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 593' ' ' MET . . . . . 0.435 ' SD ' ' SD ' ' A' ' 632' ' ' MET . 24.9 ttt -77.72 130.19 74.3 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.196 175.272 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 80.1 Cg_exo -52.85 -43.66 54.48 Favored 'Trans proline' 0 N--CA 1.457 -0.644 0 C-N-CA 121.694 1.596 . . . . 0.0 111.227 179.628 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 595' ' ' LEU . . . . . . . . . . . . . 63.8 tp -59.96 -48.32 82.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.16 178.697 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 596' ' ' PHE . . . . . . . . . . . . . 14.2 m-30 -71.31 -24.17 62.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.175 -176.734 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 597' ' ' ALA . . . . . . . . . . . . . . . -71.23 -39.62 71.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.236 173.134 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 598' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -70.39 -27.82 64.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.199 174.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 599' ' ' ALA . . . . . . . . . . . . . . . -61.41 145.88 50.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.204 176.706 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 600' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -59.79 149.96 70.07 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.157 -176.618 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 601' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_exo -51.95 -34.47 56.56 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 121.702 1.602 . . . . 0.0 111.219 175.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 602' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -66.28 -36.04 81.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.226 176.439 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 603' ' ' PHE . . . . . . . . . . . . . 17.1 m-30 -70.08 -32.92 71.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.188 178.487 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 604' ' ' VAL . . . . . . . . . . . . . 76.0 t -63.1 -50.07 80.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.212 173.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 605' ' ' THR . . . . . . . . . . . . . 97.9 m -53.34 -47.61 69.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.206 174.68 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 606' ' ' SER . . . . . . . . . . . . . 73.3 m -58.1 -45.32 87.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.204 179.437 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 72.0 mtm -65.05 -32.17 73.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.228 178.642 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 608' ' ' LEU . . . . . 0.462 HD11 ' HB3' ' A' ' 587' ' ' ARG . 73.8 mt -68.14 -33.25 74.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.241 177.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 609' ' ' THR . . . . . . . . . . . . . 81.3 p -81.06 -21.29 40.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.222 176.714 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 610' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -95.31 0.36 53.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.22 172.04 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 611' ' ' LEU . . . . . . . . . . . . . 30.7 tp -68.79 132.19 46.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.213 -176.734 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 612' ' ' ARG . . . . . . . . . . . . . 90.9 mtt180 -105.98 149.84 26.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.22 173.042 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 613' ' ' PHE . . . . . 0.409 ' HB2' HD13 ' A' ' 582' ' ' ILE . 36.2 t80 -123.98 137.63 54.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.2 177.903 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 71.7 tt0 -148.74 132.1 16.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.16 -179.556 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 615' ' ' VAL . . . . . 0.478 HG22 ' HG2' ' A' ' 680' ' ' ARG . 95.4 t -96.55 125.0 49.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.198 175.206 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 616' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -101.53 141.42 34.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.171 -178.848 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 617' ' ' GLN . . . . . . . . . . . . . 87.4 mt-30 -87.4 161.17 46.52 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.225 -177.827 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 618' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -55.06 121.66 10.3 Favored 'Trans proline' 0 N--CA 1.458 -0.578 0 C-N-CA 121.689 1.592 . . . . 0.0 111.197 176.781 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 619' ' ' GLY . . . . . . . . . . . . . . . 92.67 -8.38 76.77 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 176.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 620' ' ' ASP . . . . . . . . . . . . . 61.1 t0 -70.23 125.33 26.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.812 0.339 . . . . 0.0 111.152 -179.615 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 621' ' ' TYR . . . . . . . . . . . . . 69.6 m-85 -77.32 135.95 38.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.181 179.774 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 622' ' ' ILE . . . . . . . . . . . . . 71.1 mt -105.47 -45.41 8.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.192 -178.73 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 623' ' ' ILE . . . . . . . . . . . . . 67.2 mt -131.56 134.14 60.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.211 178.819 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -100.74 134.19 44.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.168 175.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 625' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -69.24 138.36 53.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.179 178.07 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 626' ' ' GLY . . . . . . . . . . . . . . . 89.55 16.1 57.41 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.179 -0.768 . . . . 0.0 111.179 176.114 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 627' ' ' THR . . . . . . . . . . . . . 52.8 p -117.99 160.07 22.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.81 0.338 . . . . 0.0 111.168 177.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 628' ' ' ILE . . . . . . . . . . . . . 72.1 mt -99.25 79.87 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.222 -179.653 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 629' ' ' GLY . . . . . . . . . . . . . . . -74.68 154.55 47.24 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 177.614 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 630' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -130.08 16.98 5.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.81 0.338 . . . . 0.0 111.199 178.163 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 631' ' ' LYS . . . . . . . . . . . . . 12.0 mptt -120.04 139.94 51.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.182 -177.487 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 632' ' ' MET . . . . . 0.435 ' SD ' ' SD ' ' A' ' 593' ' ' MET . 27.5 ttt -112.94 138.44 49.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.216 174.366 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 633' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -113.87 139.42 49.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.168 -169.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 634' ' ' PHE . . . . . . . . . . . . . 86.2 m-85 -120.73 136.61 54.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.164 174.045 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 635' ' ' ILE . . . . . . . . . . . . . 71.7 mt -99.18 114.91 38.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.175 -171.765 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 48.0 tt0 -92.8 -41.82 9.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.209 176.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 637' ' ' HIS . . . . . . . . . . . . . 50.4 m80 -142.85 150.93 40.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.223 174.781 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 638' ' ' GLY . . . . . . . . . . . . . . . 97.9 177.78 33.52 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 173.215 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 639' ' ' VAL . . . . . . . . . . . . . 97.6 t -128.8 134.98 63.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.825 0.345 . . . . 0.0 111.195 -177.177 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 640' ' ' VAL . . . . . . . . . . . . . 28.3 m -120.17 157.65 22.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.222 174.708 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 641' ' ' SER . . . . . . . . . . . . . 53.6 m -109.92 126.49 53.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.232 175.037 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 642' ' ' VAL . . . . . 0.431 HG22 HG22 ' A' ' 673' ' ' VAL . 59.4 t -110.99 114.34 46.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.197 -179.786 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 643' ' ' LEU . . . . . . . . . . . . . 65.3 tp -105.52 118.57 36.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.168 -179.232 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 644' ' ' THR . . . . . . . . . . . . . 94.8 m -104.5 138.63 40.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.165 -176.253 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 89.1 tttt -56.61 120.1 7.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.22 -176.733 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 646' ' ' GLY . . . . . . . . . . . . . . . 79.39 7.48 88.45 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.189 -0.765 . . . . 0.0 111.189 173.012 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 647' ' ' ASN . . . . . . . . . . . . . 67.8 m-80 -130.7 159.9 35.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.783 0.325 . . . . 0.0 111.22 -176.31 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 648' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -68.59 148.31 50.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.149 179.8 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 649' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -69.89 138.85 52.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.212 -179.324 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 650' ' ' THR . . . . . . . . . . . . . 93.7 m -125.58 138.99 53.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.189 177.43 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 651' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -102.63 144.5 30.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.234 -176.419 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 86.7 mt -126.7 148.23 49.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.241 179.786 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -141.06 -171.07 3.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.186 -172.417 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 654' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -41.76 119.88 1.39 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.177 178.19 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 655' ' ' GLY . . . . . . . . . . . . . . . 100.57 -2.45 55.97 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.179 -0.768 . . . . 0.0 111.179 175.73 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 656' ' ' SER . . . . . . . . . . . . . 45.6 m -99.4 175.29 5.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.795 0.331 . . . . 0.0 111.226 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 657' ' ' TYR . . . . . . . . . . . . . 50.1 p90 -159.88 162.14 34.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.153 -179.741 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 658' ' ' PHE . . . . . . . . . . . . . 52.9 p90 -159.68 171.89 18.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.178 -178.836 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 659' ' ' GLY . . . . . 0.438 ' O ' ' HB2' ' A' ' 662' ' ' CYS . . . 88.72 10.36 67.35 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 177.84 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 660' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -56.4 -33.11 65.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.759 0.314 . . . . 0.0 111.22 -179.152 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 661' ' ' ILE . . . . . 0.456 ' HB ' HH11 ' A' ' 669' ' ' ARG . 91.2 mt -57.97 -35.88 53.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.177 179.005 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 662' ' ' CYS . . . . . 0.438 ' HB2' ' O ' ' A' ' 659' ' ' GLY . 99.4 m -59.97 -32.16 70.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.193 -176.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 663' ' ' LEU . . . . . . . . . . . . . 7.5 mp -95.57 -33.42 12.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.235 -177.343 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 97.2 mt -78.98 -31.31 44.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.172 -174.27 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 665' ' ' THR . . . . . . . . . . . . . 29.9 p -118.88 179.94 4.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.195 -175.816 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 666' ' ' ARG . . . . . . . . . . . . . 89.9 mmt-85 -134.54 53.43 2.0 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.19 -178.677 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . -155.68 -164.77 13.53 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 -176.28 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 90.0 mtm180 -79.31 143.36 35.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.832 0.349 . . . . 0.0 111.197 -177.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 669' ' ' ARG . . . . . 0.456 HH11 ' HB ' ' A' ' 661' ' ' ILE . 56.4 ttt85 -89.95 134.2 34.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.2 176.893 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 670' ' ' THR . . . . . . . . . . . . . 40.4 p -95.54 42.1 1.09 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.187 -176.784 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 671' ' ' ALA . . . . . . . . . . . . . . . -158.04 155.44 29.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.238 179.038 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 672' ' ' SER . . . . . . . . . . . . . 94.0 p -126.6 154.66 43.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.22 177.31 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 673' ' ' VAL . . . . . 0.431 HG22 HG22 ' A' ' 642' ' ' VAL . 46.3 t -134.85 131.63 53.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.212 -176.06 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 674' ' ' ARG . . . . . . . . . . . . . 58.6 ttp180 -134.33 137.29 44.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.184 179.185 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 675' ' ' ALA . . . . . . . . . . . . . . . -76.31 134.97 39.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.19 -178.495 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 676' ' ' ASP . . . . . . . . . . . . . 69.4 m-20 -90.92 -20.33 22.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.245 -177.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 14.9 t -151.11 -166.93 2.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.18 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 678' ' ' TYR . . . . . . . . . . . . . 81.5 m-85 -70.05 94.34 0.87 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.205 173.605 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 679' ' ' CYS . . . . . . . . . . . . . 84.7 m -106.15 142.18 36.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.211 -168.709 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 680' ' ' ARG . . . . . 0.478 ' HG2' HG22 ' A' ' 615' ' ' VAL . 99.9 mtt180 -109.26 102.79 11.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.165 -178.738 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 681' ' ' LEU . . . . . . . . . . . . . 7.2 mp -118.1 150.85 38.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.181 -170.511 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 682' ' ' TYR . . . . . . . . . . . . . 68.2 m-85 -117.33 143.93 45.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.214 176.151 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 683' ' ' SER . . . . . . . . . . . . . 40.8 t -120.95 130.97 54.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.177 -170.167 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 684' ' ' LEU . . . . . . . . . . . . . 83.7 mt -126.2 127.57 45.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.182 167.27 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 75.2 p -88.86 154.39 20.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.206 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 686' ' ' VAL . . . . . . . . . . . . . 8.4 p -62.74 -30.08 48.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.19 175.35 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 687' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -64.18 -45.37 88.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.192 175.293 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 688' ' ' ASN . . . . . . . . . . . . . 96.8 m-20 -60.18 -45.46 93.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.192 177.139 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 689' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -61.96 -41.52 98.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.153 179.135 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 690' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -59.28 -42.64 91.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.174 176.639 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 691' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -60.65 -44.77 96.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.173 175.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 692' ' ' VAL . . . . . . . . . . . . . 55.3 t -56.26 -40.83 68.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.184 178.432 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 693' ' ' LEU . . . . . . . . . . . . . 85.8 mt -67.25 -44.2 80.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.18 175.814 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 694' ' ' GLU . . . . . 0.493 ' HA ' ' HE ' ' A' ' 700' ' ' ARG . 95.5 mt-10 -61.15 -29.73 69.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.234 -176.222 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 695' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -52.92 -37.49 60.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.215 179.511 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 696' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -109.77 103.32 52.94 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.249 175.495 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 697' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_exo -53.24 -37.32 80.39 Favored 'Trans proline' 0 N--CA 1.459 -0.546 0 C-N-CA 121.7 1.6 . . . . 0.0 111.179 -173.564 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 698' ' ' MET . . . . . . . . . . . . . 61.3 tpp -53.36 -60.04 3.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.205 178.535 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 699' ' ' MET . . . . . . . . . . . . . 96.5 mmm -67.6 -30.27 69.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.19 -179.506 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 700' ' ' ARG . . . . . 0.493 ' HE ' ' HA ' ' A' ' 694' ' ' GLU . 22.8 ttm180 -55.74 -43.31 76.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.185 176.647 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -81.32 -38.19 27.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.214 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 702' ' ' ALA . . . . . . . . . . . . . . . -60.28 -39.13 85.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.2 -179.532 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 703' ' ' PHE . . . . . . . . . . . . . 16.1 t80 -70.96 -9.99 58.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.182 -174.22 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 704' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -64.49 -23.59 67.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.16 178.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 705' ' ' THR . . . . . . . . . . . . . 70.2 p -104.79 13.9 30.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.199 177.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 706' ' ' VAL . . . . . . . . . . . . . 75.5 t -115.19 105.58 18.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.196 -179.579 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 707' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.2 -1.535 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.206 178.951 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 577' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.77 0.319 . . . . 0.0 111.222 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 578' ' ' SER . . . . . . . . . . . . . 31.3 t -71.38 142.72 50.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.237 -178.556 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -89.98 10.08 25.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.242 -178.254 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 580' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -64.81 152.68 42.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.191 177.406 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 581' ' ' ILE . . . . . . . . . . . . . 47.0 pt -113.65 -175.3 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.206 179.486 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 10.9 tp -50.44 136.02 9.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.231 179.625 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 583' ' ' ASN . . . . . 0.404 ' O ' ' HB2' ' A' ' 586' ' ' CYS . 95.8 m-20 -89.72 161.04 16.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.169 -179.165 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 584' ' ' PHE . . . . . . . . . . . . . 91.1 t80 -58.18 132.67 54.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.232 177.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 585' ' ' ASN . . . . . . . . . . . . . 32.4 t30 75.95 18.04 2.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.162 178.453 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 586' ' ' CYS . . . . . 0.404 ' HB2' ' O ' ' A' ' 583' ' ' ASN . 62.7 m -119.11 -14.72 9.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.213 173.749 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 587' ' ' ARG . . . . . 0.491 ' HG2' HD13 ' A' ' 608' ' ' LEU . 99.9 mtt180 -59.36 -44.1 92.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.164 177.593 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 588' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -68.14 -34.94 77.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.169 179.2 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 66.3 tp -58.68 -48.68 80.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.177 177.502 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 590' ' ' VAL . . . . . . . . . . . . . 75.6 t -67.84 -41.45 85.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.173 177.774 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 591' ' ' ALA . . . . . . . . . . . . . . . -59.78 -33.59 71.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.183 178.844 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 79.1 p -84.08 -9.17 58.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.196 -178.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 593' ' ' MET . . . . . . . . . . . . . 56.8 ttm -62.19 136.24 95.37 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.15 178.469 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_exo -48.77 -44.0 32.85 Favored 'Trans proline' 0 N--CA 1.458 -0.568 0 C-N-CA 121.662 1.575 . . . . 0.0 111.229 -179.491 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 595' ' ' LEU . . . . . . . . . . . . . 57.5 tp -54.81 -38.78 67.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.201 -179.396 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 596' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -108.14 10.53 28.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.189 -173.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 597' ' ' ALA . . . . . . . . . . . . . . . -59.88 -42.38 93.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.181 -173.378 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 598' ' ' ASN . . . . . . . . . . . . . 72.8 m-80 -105.86 13.81 28.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.179 -179.119 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 599' ' ' ALA . . . . . . . . . . . . . . . -80.48 146.58 31.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.201 -179.656 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 600' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -62.57 135.1 95.41 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.198 178.44 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 601' ' ' PRO . . . . . . . . . . . . . 69.5 Cg_exo -49.22 -39.06 42.54 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 121.69 1.593 . . . . 0.0 111.182 -179.467 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 602' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -72.05 -42.93 65.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.187 -179.043 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 603' ' ' PHE . . . . . . . . . . . . . 70.8 t80 -52.21 -50.57 61.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.213 173.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 604' ' ' VAL . . . . . . . . . . . . . 70.1 t -62.43 -51.18 75.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.218 -179.242 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 605' ' ' THR . . . . . . . . . . . . . 84.7 m -50.16 -42.14 50.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.23 -179.092 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 606' ' ' SER . . . . . . . . . . . . . 46.7 t -64.86 -46.77 80.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.212 177.402 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 98.1 mmm -61.48 -28.76 69.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.185 -179.718 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 608' ' ' LEU . . . . . 0.491 HD13 ' HG2' ' A' ' 587' ' ' ARG . 80.9 mt -69.77 -13.81 62.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.139 -177.16 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 609' ' ' THR . . . . . . . . . . . . . 80.5 p -103.81 4.88 35.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.223 175.677 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 610' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -103.71 -3.79 24.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.197 177.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 611' ' ' LEU . . . . . 0.492 HD23 HD21 ' A' ' 684' ' ' LEU . 25.0 mt -59.86 130.6 47.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.227 -175.479 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 612' ' ' ARG . . . . . . . . . . . . . 94.5 mtt-85 -109.66 99.72 8.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.199 174.112 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 613' ' ' PHE . . . . . . . . . . . . . 49.8 m-85 -80.82 152.28 28.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.184 -170.606 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -161.22 134.12 6.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.198 175.728 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 615' ' ' VAL . . . . . . . . . . . . . 97.4 t -92.92 142.74 12.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.216 -179.215 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 616' ' ' PHE . . . . . 0.496 ' HB2' ' SG ' ' A' ' 679' ' ' CYS . 96.6 m-85 -129.99 144.61 51.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.235 -176.858 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 617' ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -101.58 162.64 19.83 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.208 175.631 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 618' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_exo -51.78 127.0 21.42 Favored 'Trans proline' 0 N--CA 1.458 -0.589 0 C-N-CA 121.718 1.612 . . . . 0.0 111.186 177.393 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 619' ' ' GLY . . . . . . . . . . . . . . . 99.88 -19.99 51.0 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.206 -0.758 . . . . 0.0 111.206 176.545 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 620' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -67.41 136.6 54.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.788 0.327 . . . . 0.0 111.185 -178.403 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 621' ' ' TYR . . . . . . . . . . . . . 59.2 m-85 -92.59 140.69 29.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.199 -179.049 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 622' ' ' ILE . . . . . . . . . . . . . 5.2 mp -107.57 -40.02 4.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.179 176.178 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 623' ' ' ILE . . . . . . . . . . . . . 62.7 mt -131.11 140.65 48.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.213 177.44 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 96.6 mtt-85 -121.68 127.0 50.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.206 174.522 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 625' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -58.34 133.08 55.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.195 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 626' ' ' GLY . . . . . . . . . . . . . . . 98.49 -21.44 45.97 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 179.336 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 627' ' ' THR . . . . . . . . . . . . . 97.1 m -75.55 139.54 42.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.764 0.316 . . . . 0.0 111.235 -179.679 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 628' ' ' ILE . . . . . . . . . . . . . 95.9 mt -81.71 125.25 39.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.214 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 629' ' ' GLY . . . . . . . . . . . . . . . -178.07 136.67 3.07 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 179.191 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 630' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -119.81 48.39 1.55 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.846 0.355 . . . . 0.0 111.232 -179.666 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 631' ' ' LYS . . . . . 0.574 ' H ' ' NH2' ' A' ' 669' ' ' ARG . 98.2 mttt -118.27 135.12 54.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.216 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 632' ' ' MET . . . . . . . . . . . . . 92.7 mtp -90.55 146.16 24.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.183 175.069 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 633' ' ' TYR . . . . . . . . . . . . . 91.0 m-85 -119.35 133.57 55.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.206 -178.805 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 634' ' ' PHE . . . . . . . . . . . . . 34.3 m-85 -121.31 134.84 55.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.185 -177.745 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 635' ' ' ILE . . . . . 0.403 ' HA ' ' HG ' ' A' ' 681' ' ' LEU . 84.1 mt -88.04 113.28 24.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.237 -173.737 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 71.6 tp60 -75.9 -40.02 55.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.185 176.366 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 637' ' ' HIS . . . . . . . . . . . . . 35.3 p80 -169.96 160.66 8.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.203 171.81 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 638' ' ' GLY . . . . . . . . . . . . . . . 101.2 -177.21 27.34 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 -179.544 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 639' ' ' VAL . . . . . . . . . . . . . 94.4 t -117.47 123.36 71.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.772 0.32 . . . . 0.0 111.174 -176.653 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 640' ' ' VAL . . . . . . . . . . . . . 73.9 t -126.61 130.75 71.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.193 -179.243 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 641' ' ' SER . . . . . . . . . . . . . 31.0 t -93.39 132.34 37.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.169 -175.624 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 642' ' ' VAL . . . . . . . . . . . . . 88.8 t -118.07 122.52 69.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.191 179.464 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 643' ' ' LEU . . . . . . . . . . . . . 65.6 tp -115.13 112.6 22.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.206 178.085 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 644' ' ' THR . . . . . . . . . . . . . 93.8 m -99.7 139.86 34.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.153 -175.752 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 89.0 tttt -53.35 119.28 4.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.228 -176.582 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 646' ' ' GLY . . . . . . . . . . . . . . . 85.02 5.03 86.46 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.204 -0.759 . . . . 0.0 111.204 173.082 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 647' ' ' ASN . . . . . . . . . . . . . 70.5 m-80 -125.79 155.72 40.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.807 0.337 . . . . 0.0 111.228 -178.494 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 648' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -65.77 150.7 48.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.175 -179.748 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 649' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -65.36 133.35 51.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.187 178.615 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 650' ' ' THR . . . . . . . . . . . . . 58.2 p -125.27 164.85 19.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.19 178.366 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 651' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -125.22 139.37 53.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.224 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 90.0 mt -121.53 156.24 33.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.184 177.502 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -136.3 -172.77 3.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.22 -175.247 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 654' ' ' ASP . . . . . . . . . . . . . 68.2 t0 -44.76 123.69 3.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.178 179.477 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 655' ' ' GLY . . . . . . . . . . . . . . . 103.19 -16.66 53.23 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.232 -0.747 . . . . 0.0 111.232 173.547 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 656' ' ' SER . . . . . . . . . . . . . 74.6 m -89.84 169.75 10.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.79 0.329 . . . . 0.0 111.209 179.129 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 657' ' ' TYR . . . . . . . . . . . . . 44.8 p90 -154.91 170.0 22.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.208 -177.796 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 658' ' ' PHE . . . . . . . . . . . . . 34.7 p90 -158.46 163.34 37.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.231 -178.23 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 659' ' ' GLY . . . . . . . . . . . . . . . 110.17 -12.92 31.38 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 -177.62 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 660' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -54.96 -42.72 72.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.825 0.345 . . . . 0.0 111.256 -179.569 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 661' ' ' ILE . . . . . . . . . . . . . 97.1 mt -70.95 -37.93 70.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.184 178.487 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 662' ' ' CYS . . . . . . . . . . . . . 90.7 m -60.94 -35.44 76.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.199 -177.468 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 663' ' ' LEU . . . . . . . . . . . . . 7.1 mp -64.54 -19.94 65.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.173 177.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 86.3 mt -92.34 4.95 52.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.265 -176.393 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 665' ' ' THR . . . . . . . . . . . . . 30.1 p -91.91 -169.97 2.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.195 178.369 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 666' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -84.12 2.18 40.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.176 178.262 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 131.34 -33.85 2.71 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.165 -0.774 . . . . 0.0 111.165 175.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 83.7 mtp180 -80.8 141.97 34.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.853 0.359 . . . . 0.0 111.194 178.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 669' ' ' ARG . . . . . 0.574 ' NH2' ' H ' ' A' ' 631' ' ' LYS . 29.5 mmt180 -71.51 145.63 49.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.206 179.748 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 670' ' ' THR . . . . . . . . . . . . . 58.0 p -111.92 24.45 12.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.169 177.324 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 671' ' ' ALA . . . . . . . . . . . . . . . -155.57 158.62 38.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.175 -178.515 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 672' ' ' SER . . . . . . . . . . . . . 59.8 m -121.07 136.81 54.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.211 173.096 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 673' ' ' VAL . . . . . . . . . . . . . 64.9 t -133.25 134.13 57.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.227 -171.713 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 674' ' ' ARG . . . . . . . . . . . . . 37.8 ptt180 -147.45 153.51 39.66 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.234 178.772 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 675' ' ' ALA . . . . . . . . . . . . . . . -80.7 139.4 36.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.176 -175.318 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 676' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -95.95 -35.39 11.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.183 175.815 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 44.7 p -127.79 165.18 20.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.254 176.114 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 678' ' ' TYR . . . . . . . . . . . . . 67.3 t80 -56.07 112.89 1.32 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.18 174.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 679' ' ' CYS . . . . . 0.496 ' SG ' ' HB2' ' A' ' 616' ' ' PHE . 31.6 p -138.47 170.0 16.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.216 -164.839 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 680' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -138.95 133.96 32.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.251 176.553 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 681' ' ' LEU . . . . . 0.403 ' HG ' ' HA ' ' A' ' 635' ' ' ILE . 4.7 mp -127.9 173.76 9.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.213 -178.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 682' ' ' TYR . . . . . . . . . . . . . 32.1 p90 -145.07 149.39 34.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.216 167.597 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 683' ' ' SER . . . . . . . . . . . . . 28.8 t -112.67 145.32 40.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.18 -168.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 684' ' ' LEU . . . . . 0.492 HD21 HD23 ' A' ' 611' ' ' LEU . 78.6 mt -132.09 123.16 26.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.199 168.818 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 71.8 p -77.42 151.27 34.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.167 -179.322 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 686' ' ' VAL . . . . . . . . . . . . . 9.5 p -58.14 -27.87 33.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.219 173.169 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 687' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -66.63 -40.72 88.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.185 175.483 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 688' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -67.06 -40.58 87.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.172 177.385 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 689' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -58.58 -49.43 77.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.241 176.355 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 690' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -68.59 -36.82 79.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.235 -179.311 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 691' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -59.0 -51.19 71.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.245 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 692' ' ' VAL . . . . . . . . . . . . . 76.6 t -70.7 -34.69 57.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.207 179.582 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 693' ' ' LEU . . . . . 0.421 HD12 ' HB3' ' A' ' 699' ' ' MET . 28.5 tp -55.92 -43.92 77.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.215 174.67 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 694' ' ' GLU . . . . . . . . . . . . . 60.1 mt-10 -85.45 -20.36 29.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.172 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 695' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -53.58 -47.38 70.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.24 176.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 696' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -93.95 121.33 64.45 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.184 177.793 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 697' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_exo -54.36 -33.79 77.99 Favored 'Trans proline' 0 N--CA 1.458 -0.585 0 C-N-CA 121.687 1.591 . . . . 0.0 111.186 -179.566 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 698' ' ' MET . . . . . . . . . . . . . 99.8 mmm -67.85 -30.13 69.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.21 -178.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 699' ' ' MET . . . . . 0.421 ' HB3' HD12 ' A' ' 693' ' ' LEU . 99.3 mmm -96.8 -19.91 18.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.228 -178.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 700' ' ' ARG . . . . . . . . . . . . . 39.2 ttm180 -58.15 -33.72 69.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.204 -177.366 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -59.74 -30.82 69.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.163 -178.542 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 702' ' ' ALA . . . . . . . . . . . . . . . -67.02 -25.75 66.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.25 -179.565 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 703' ' ' PHE . . . . . . . . . . . . . 75.4 t80 -59.05 -26.81 64.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.209 179.604 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 704' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -58.79 -30.15 67.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.203 -178.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 705' ' ' THR . . . . . . . . . . . . . 64.3 p -92.3 -5.02 53.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.172 -178.511 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 706' ' ' VAL . . . . . . . . . . . . . 98.7 t -86.21 119.24 34.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.183 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 707' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.2 -1.523 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.207 179.044 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 577' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.78 0.324 . . . . 0.0 111.184 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 578' ' ' SER . . . . . . . . . . . . . 89.7 p -102.0 156.26 17.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.208 178.102 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -87.49 79.96 8.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.206 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 580' ' ' GLU . . . . . . . . . . . . . 90.3 mt-10 -78.49 166.32 22.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.191 -179.504 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 581' ' ' ILE . . . . . . . . . . . . . 97.3 mt -62.01 135.8 26.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.223 -179.147 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 47.5 pt -67.14 156.01 7.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.227 -178.148 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 583' ' ' ASN . . . . . 0.477 ' O ' ' SG ' ' A' ' 586' ' ' CYS . 94.4 m-20 -100.07 -169.7 1.77 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.165 177.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 584' ' ' PHE . . . . . . . . . . . . . 79.3 m-85 -66.54 138.19 57.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.185 -172.273 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 585' ' ' ASN . . . . . . . . . . . . . 84.2 m-20 72.45 13.71 5.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.229 168.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 586' ' ' CYS . . . . . 0.477 ' SG ' ' O ' ' A' ' 583' ' ' ASN . 57.2 m -70.33 -37.98 74.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.214 178.044 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 587' ' ' ARG . . . . . . . . . . . . . 63.7 ttm-85 -56.74 -50.05 73.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.175 177.844 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 588' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -67.11 -41.25 86.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.235 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 33.6 tp -57.96 -47.97 81.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.232 179.8 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 590' ' ' VAL . . . . . . . . . . . . . 58.3 t -66.05 -40.18 86.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.202 177.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 591' ' ' ALA . . . . . . . . . . . . . . . -70.43 -11.39 60.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.144 -175.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 66.1 m -67.06 -21.67 65.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.209 -177.844 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 593' ' ' MET . . . . . . . . . . . . . 73.9 mtm -54.9 128.73 64.7 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.188 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -54.68 -45.05 43.89 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 121.658 1.572 . . . . 0.0 111.216 176.803 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 595' ' ' LEU . . . . . . . . . . . . . 60.2 tp -62.93 -40.71 98.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.176 -177.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 596' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -100.63 14.89 29.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.155 -177.117 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 597' ' ' ALA . . . . . . . . . . . . . . . -60.0 -35.36 74.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.206 178.747 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 598' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -110.03 20.06 18.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.176 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 599' ' ' ALA . . . . . . . . . . . . . . . -67.12 149.55 50.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.228 179.627 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 600' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -58.66 143.57 81.66 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.185 178.207 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 601' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_exo -51.62 -34.47 53.08 Favored 'Trans proline' 0 N--CA 1.458 -0.598 0 C-N-CA 121.701 1.6 . . . . 0.0 111.178 175.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 602' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -72.47 -35.07 68.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.228 179.531 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 603' ' ' PHE . . . . . . . . . . . . . 10.9 m-30 -67.29 -35.26 79.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.187 176.039 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 604' ' ' VAL . . . . . . . . . . . . . 75.9 t -63.6 -51.17 73.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.184 175.782 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 605' ' ' THR . . . . . . . . . . . . . 88.9 m -56.99 -45.28 83.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.21 175.32 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 606' ' ' SER . . . . . . . . . . . . . 57.9 m -54.98 -49.88 70.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.232 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 77.1 mtm -56.8 -46.03 81.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.18 177.277 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 608' ' ' LEU . . . . . . . . . . . . . 84.8 mt -59.31 -39.94 84.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.21 -176.402 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 609' ' ' THR . . . . . . . . . . . . . 80.6 p -77.21 -10.62 59.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.198 -176.311 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 610' ' ' LYS . . . . . . . . . . . . . 66.2 mttm -99.87 -6.03 27.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.217 179.038 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 611' ' ' LEU . . . . . . . . . . . . . 63.7 mt -64.99 131.72 47.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.173 -177.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 612' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -103.14 133.25 48.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.165 177.378 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 613' ' ' PHE . . . . . . . . . . . . . 84.0 t80 -92.05 135.05 34.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.175 -171.4 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -151.65 132.7 14.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.195 174.15 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 615' ' ' VAL . . . . . 0.565 HG22 ' HG2' ' A' ' 680' ' ' ARG . 99.4 t -93.87 143.67 11.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.246 173.41 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 616' ' ' PHE . . . . . 0.709 ' HB2' ' SG ' ' A' ' 679' ' ' CYS . 98.1 m-85 -124.44 135.21 53.07 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.227 178.064 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 617' ' ' GLN . . . . . . . . . . . . . 17.0 pt20 -93.91 161.47 29.86 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.231 -178.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 618' ' ' PRO . . . . . 0.416 ' HG3' ' HA ' ' A' ' 677' ' ' THR . 82.0 Cg_exo -52.08 123.99 13.78 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 121.73 1.62 . . . . 0.0 111.197 176.41 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 619' ' ' GLY . . . . . . . . . . . . . . . 94.89 -12.11 68.9 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.164 -0.775 . . . . 0.0 111.164 176.279 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 620' ' ' ASP . . . . . . . . . . . . . 65.6 t0 -73.62 118.65 16.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.798 0.332 . . . . 0.0 111.169 179.243 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 621' ' ' TYR . . . . . . . . . . . . . 60.5 m-85 -72.53 140.63 48.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.26 178.798 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 622' ' ' ILE . . . . . . . . . . . . . 68.6 mt -107.42 -44.95 7.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.169 178.278 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 623' ' ' ILE . . . . . . . . . . . . . 75.0 mt -134.94 121.77 35.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.197 175.441 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 37.1 mmt180 -79.93 138.11 37.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.212 177.096 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 625' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -67.64 130.96 44.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.184 178.362 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 626' ' ' GLY . . . . . . . . . . . . . . . 100.09 -4.8 57.47 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 177.137 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 627' ' ' THR . . . . . . . . . . . . . 44.3 p -99.94 157.12 16.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.785 0.326 . . . . 0.0 111.194 178.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 628' ' ' ILE . . . . . 0.422 ' HA ' ' HA ' ' A' ' 668' ' ' ARG . 97.5 mt -79.52 128.41 38.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.187 -176.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 629' ' ' GLY . . . . . . . . . . . . . . . -98.91 131.97 10.76 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.146 -0.782 . . . . 0.0 111.146 177.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 630' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -131.12 -3.76 3.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.804 0.335 . . . . 0.0 111.2 -179.013 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 631' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -125.03 144.56 50.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.176 -178.577 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 632' ' ' MET . . . . . . . . . . . . . 66.2 mtp -90.7 152.44 20.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.213 169.539 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 633' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -129.1 126.6 39.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.197 177.672 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 634' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -110.64 128.15 55.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.227 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 635' ' ' ILE . . . . . . . . . . . . . 73.2 mt -92.41 99.01 9.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.181 -174.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 21.7 tm0? -73.08 -31.71 64.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.18 -178.218 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 637' ' ' HIS . . . . . . . . . . . . . 80.2 t60 -168.82 140.06 2.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.189 176.04 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 638' ' ' GLY . . . . . . . . . . . . . . . 114.02 -178.86 18.51 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 639' ' ' VAL . . . . . . . . . . . . . 95.5 t -120.12 131.25 72.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.78 0.324 . . . . 0.0 111.189 -174.337 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 640' ' ' VAL . . . . . . . . . . . . . 86.7 t -128.76 136.61 59.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.182 175.499 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 641' ' ' SER . . . . . . . . . . . . . 29.6 t -100.94 128.22 47.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.19 -177.517 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 642' ' ' VAL . . . . . . . . . . . . . 70.0 t -112.42 98.57 7.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.211 177.06 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 643' ' ' LEU . . . . . . . . . . . . . 69.6 tp -84.78 110.06 18.53 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.217 -178.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 644' ' ' THR . . . . . . . . . . . . . 97.7 m -86.97 136.34 32.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.209 -176.18 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 89.3 tttt -55.34 118.92 4.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.221 -177.142 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 646' ' ' GLY . . . . . . . . . . . . . . . 72.8 15.05 78.06 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 173.688 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 647' ' ' ASN . . . . . . . . . . . . . 63.7 m-80 -139.7 160.02 40.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.722 0.296 . . . . 0.0 111.227 -176.663 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 648' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -63.12 138.96 58.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.212 175.851 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 649' ' ' GLU . . . . . . . . . . . . . 19.7 pm0 -64.89 147.3 53.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.182 -178.12 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 650' ' ' THR . . . . . . . . . . . . . 95.5 m -102.89 131.05 50.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.227 174.48 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 651' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -92.76 122.67 35.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.243 -179.356 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 77.8 mt -112.9 141.61 46.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.207 177.442 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -134.43 -170.06 2.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.22 -173.551 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 654' ' ' ASP . . . . . . . . . . . . . 58.4 t0 -51.54 115.64 1.71 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.192 176.718 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 655' ' ' GLY . . . . . . . . . . . . . . . 103.36 2.85 47.7 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 179.454 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 656' ' ' SER . . . . . . . . . . . . . 44.8 m -99.86 170.5 8.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.772 0.32 . . . . 0.0 111.234 176.324 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 657' ' ' TYR . . . . . . . . . . . . . 50.0 p90 -159.85 169.53 23.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.194 175.022 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 658' ' ' PHE . . . . . . . . . . . . . 41.0 p90 -155.15 171.47 19.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.208 -179.014 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 659' ' ' GLY . . . . . . . . . . . . . . . 92.47 4.69 65.8 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.179 -0.768 . . . . 0.0 111.179 -174.463 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 660' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -55.24 -35.47 64.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.785 0.326 . . . . 0.0 111.198 -177.023 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 661' ' ' ILE . . . . . . . . . . . . . 94.1 mt -55.0 -33.93 30.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.219 -179.464 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 662' ' ' CYS . . . . . . . . . . . . . 74.0 m -56.14 -30.32 61.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.215 -176.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 663' ' ' LEU . . . . . . . . . . . . . 94.2 mt -63.07 -32.14 73.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.187 179.761 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 95.1 mt -88.83 -37.69 15.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.195 -179.359 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 665' ' ' THR . . . . . . . . . . . . . 5.3 t -159.99 129.57 5.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.197 177.32 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 666' ' ' ARG . . . . . 0.651 ' HD3' ' HB ' ' A' ' 686' ' ' VAL . 85.7 mtm180 -87.43 74.48 9.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.166 178.51 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . -118.91 -167.93 13.96 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 -176.411 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 668' ' ' ARG . . . . . 0.422 ' HA ' ' HA ' ' A' ' 628' ' ' ILE . 75.0 mtp180 -73.51 137.07 44.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.799 0.333 . . . . 0.0 111.211 179.786 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 56.3 ttt85 -90.49 130.48 36.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.216 179.617 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 670' ' ' THR . . . . . . . . . . . . . 41.2 p -93.66 42.41 1.1 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.159 178.65 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 671' ' ' ALA . . . . . . . . . . . . . . . -153.71 143.43 21.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.202 179.653 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 672' ' ' SER . . . . . . . . . . . . . 37.5 t -100.32 119.14 37.96 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.214 177.291 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 673' ' ' VAL . . . . . . . . . . . . . 58.2 t -107.85 119.02 56.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.158 -175.563 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 674' ' ' ARG . . . . . . . . . . . . . 59.7 ttp180 -136.09 136.97 40.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.174 -177.551 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 675' ' ' ALA . . . . . . . . . . . . . . . -71.64 139.29 49.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.168 -179.418 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 676' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -99.7 -36.53 9.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.187 -179.404 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 677' ' ' THR . . . . . 0.416 ' HA ' ' HG3' ' A' ' 618' ' ' PRO . 37.2 p -123.63 177.4 5.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.171 179.555 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 678' ' ' TYR . . . . . . . . . . . . . 84.2 m-85 -69.92 93.21 0.75 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.233 170.625 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 679' ' ' CYS . . . . . 0.709 ' SG ' ' HB2' ' A' ' 616' ' ' PHE . 27.7 p -114.42 152.76 31.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.206 -166.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 680' ' ' ARG . . . . . 0.565 ' HG2' HG22 ' A' ' 615' ' ' VAL . 99.6 mtt180 -112.93 114.75 27.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.155 -179.338 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 681' ' ' LEU . . . . . . . . . . . . . 7.9 mp -116.34 149.96 38.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.173 -173.003 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 682' ' ' TYR . . . . . . . . . . . . . 75.0 m-85 -116.4 128.33 55.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.202 169.319 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 683' ' ' SER . . . . . . . . . . . . . 96.5 p -111.1 155.02 23.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.217 -175.101 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 684' ' ' LEU . . . . . . . . . . . . . 41.4 tp -162.62 133.89 5.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.24 176.082 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 72.3 p -77.06 155.76 32.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.226 -173.162 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 686' ' ' VAL . . . . . 0.651 ' HB ' ' HD3' ' A' ' 666' ' ' ARG . 69.3 t -62.52 -32.98 57.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.206 173.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 687' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -58.94 -41.58 87.71 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.204 175.613 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 688' ' ' ASN . . . . . . . . . . . . . 97.2 m-20 -74.23 -35.7 63.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.164 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 689' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -57.91 -42.55 84.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.189 171.188 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 690' ' ' ASN . . . . . . . . . . . . . 97.1 m-20 -65.07 -38.2 90.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.255 176.667 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 691' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -59.71 -41.46 90.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.165 177.755 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 692' ' ' VAL . . . . . . . . . . . . . 57.4 t -65.11 -49.14 80.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.173 176.597 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 693' ' ' LEU . . . . . . . . . . . . . 84.6 mt -62.86 -29.37 70.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.185 -178.816 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 694' ' ' GLU . . . . . . . . . . . . . 61.5 mt-10 -100.5 14.05 32.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.145 -179.442 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 695' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -68.71 -40.85 79.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.194 179.732 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 696' ' ' TYR . . . . . . . . . . . . . 22.1 m-30 -100.0 129.95 27.32 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.216 174.325 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 697' ' ' PRO . . . . . . . . . . . . . 80.6 Cg_exo -53.3 -37.05 80.53 Favored 'Trans proline' 0 N--CA 1.458 -0.58 0 C-N-CA 121.699 1.599 . . . . 0.0 111.207 179.828 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 698' ' ' MET . . . . . . . . . . . . . 99.9 mmm -63.8 -30.1 71.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.204 -177.695 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 699' ' ' MET . . . . . . . . . . . . . 99.1 mmm -97.74 -20.01 17.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.199 179.17 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 700' ' ' ARG . . . . . . . . . . . . . 35.7 ttm180 -64.95 -36.96 86.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.207 174.549 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -71.71 -34.42 69.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.252 174.032 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 702' ' ' ALA . . . . . . . . . . . . . . . -69.89 -29.64 66.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.168 176.26 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 703' ' ' PHE . . . . . . . . . . . . . 77.5 t80 -64.02 -16.77 62.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.244 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 704' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -58.57 -25.3 62.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.235 178.205 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 705' ' ' THR . . . . . . . . . . . . . 69.3 p -109.22 23.41 14.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.211 178.243 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 706' ' ' VAL . . . . . . . . . . . . . 84.1 t -126.96 129.79 71.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.22 -178.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 707' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.2 -1.522 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.216 178.442 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 577' ' ' ASN . . . . . . . . . . . . . 46.3 p-10 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.791 0.329 . . . . 0.0 111.232 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 578' ' ' SER . . . . . . . . . . . . . 34.6 t -87.43 113.59 23.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.231 -177.725 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -97.49 73.37 2.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.236 -176.647 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 580' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -123.18 160.11 27.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.216 -175.434 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 581' ' ' ILE . . . . . . . . . . . . . 93.2 mt -74.15 137.37 23.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.229 178.647 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 46.0 mm -59.9 134.87 25.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.21 -179.192 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 583' ' ' ASN . . . . . . . . . . . . . 72.6 m-20 -70.08 158.6 35.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.188 -173.166 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 584' ' ' PHE . . . . . . . . . . . . . 72.6 m-85 -66.74 149.23 50.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.213 177.542 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 585' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 66.92 14.72 9.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.154 -177.321 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 586' ' ' CYS . . . . . . . . . . . . . 62.0 m -128.9 -24.19 2.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.213 174.127 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 587' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -58.79 -36.78 74.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.171 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 588' ' ' LYS . . . . . . . . . . . . . 64.6 pttt -61.99 -24.2 66.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.208 178.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 83.9 mt -90.96 -40.35 11.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.19 -179.128 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 590' ' ' VAL . . . . . . . . . . . . . 73.6 t -68.76 -31.85 52.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.21 178.137 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 591' ' ' ALA . . . . . . . . . . . . . . . -83.94 6.96 19.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.22 -176.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 61.5 p -80.3 -9.27 59.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.207 173.714 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 593' ' ' MET . . . . . . . . . . . . . 65.3 mtt -64.23 152.94 87.16 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.197 178.72 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 81.7 Cg_exo -54.94 -39.91 88.26 Favored 'Trans proline' 0 N--CA 1.459 -0.548 0 C-N-CA 121.71 1.607 . . . . 0.0 111.161 -178.077 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 595' ' ' LEU . . . . . . . . . . . . . 52.8 tp -52.04 -49.76 62.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.158 178.788 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 596' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -79.3 -33.32 43.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.215 -172.619 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 597' ' ' ALA . . . . . . . . . . . . . . . -60.21 -39.17 85.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.168 175.533 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 598' ' ' ASN . . . . . . . . . . . . . 73.1 m-80 -99.96 30.05 3.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.168 178.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 599' ' ' ALA . . . . . . . . . . . . . . . -125.12 151.47 45.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.158 177.779 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 600' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -65.67 151.89 93.84 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.199 176.1 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 601' ' ' PRO . . . . . . . . . . . . . 82.8 Cg_exo -51.66 -36.33 60.71 Favored 'Trans proline' 0 N--CA 1.458 -0.589 0 C-N-CA 121.726 1.617 . . . . 0.0 111.164 177.836 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 602' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -66.08 -40.88 91.17 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.23 177.217 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 603' ' ' PHE . . . . . . . . . . . . . 13.8 m-30 -67.67 -34.04 76.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.232 178.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 604' ' ' VAL . . . . . . . . . . . . . 66.6 t -62.28 -53.29 49.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.21 175.746 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 605' ' ' THR . . . . . . . . . . . . . 97.4 m -53.25 -48.4 68.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.214 179.019 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 606' ' ' SER . . . . . . . . . . . . . 58.3 m -63.69 -50.62 68.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.241 -177.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 61.0 mtt -61.62 -37.72 85.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.186 -173.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 608' ' ' LEU . . . . . . . . . . . . . 80.8 mt -64.6 -15.97 61.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.221 -176.378 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 609' ' ' THR . . . . . . . . . . . . . 69.7 p -100.45 -4.29 29.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.181 178.709 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 610' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -113.99 -15.78 12.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.232 -176.341 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 611' ' ' LEU . . . . . 0.414 HD22 ' HB3' ' A' ' 682' ' ' TYR . 76.4 mt -52.72 131.21 34.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.211 178.315 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 612' ' ' ARG . . . . . . . . . . . . . 53.1 ttp180 -104.88 122.15 45.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.205 172.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 613' ' ' PHE . . . . . . . . . . . . . 59.1 t80 -86.15 122.14 29.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.193 -177.546 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -129.82 126.15 37.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.173 -179.453 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 615' ' ' VAL . . . . . . . . . . . . . 99.3 t -98.38 140.54 17.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.195 175.822 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 616' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -127.44 140.03 52.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.233 -179.086 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 617' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -93.27 162.22 28.75 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.179 -178.218 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 618' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_exo -54.01 117.14 3.57 Favored 'Trans proline' 0 N--CA 1.458 -0.576 0 C-N-CA 121.654 1.569 . . . . 0.0 111.234 175.466 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 619' ' ' GLY . . . . . 0.437 ' O ' ' HD2' ' A' ' 674' ' ' ARG . . . 94.95 -4.98 68.55 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.173 -0.771 . . . . 0.0 111.173 177.489 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 620' ' ' ASP . . . . . . . . . . . . . 64.7 t0 -78.34 123.67 27.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.778 0.323 . . . . 0.0 111.2 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 621' ' ' TYR . . . . . . . . . . . . . 44.3 m-85 -68.75 141.19 55.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.173 178.022 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 622' ' ' ILE . . . . . . . . . . . . . 89.1 mt -100.73 -40.18 7.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.166 175.212 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 623' ' ' ILE . . . . . . . . . . . . . 19.1 tt -160.01 137.2 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.21 176.673 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -108.34 148.48 30.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.238 -175.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 625' ' ' GLU . . . . . . . . . . . . . 23.4 pt-20 -70.09 157.17 38.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.225 -179.158 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 626' ' ' GLY . . . . . . . . . . . . . . . 88.24 12.34 65.58 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 178.054 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 627' ' ' THR . . . . . . . . . . . . . 59.3 p -121.68 157.09 31.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.821 0.344 . . . . 0.0 111.191 178.404 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 628' ' ' ILE . . . . . . . . . . . . . 70.0 mt -99.54 80.09 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.167 -179.477 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 629' ' ' GLY . . . . . . . . . . . . . . . -77.76 147.36 32.2 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 -179.493 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 630' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -129.96 30.26 4.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.789 0.328 . . . . 0.0 111.247 176.786 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 631' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -128.42 139.73 52.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.191 -179.033 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 632' ' ' MET . . . . . . . . . . . . . 64.3 mtt -93.03 143.34 26.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.233 172.206 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 633' ' ' TYR . . . . . . . . . . . . . 90.4 m-85 -119.85 124.81 46.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.214 -175.692 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 634' ' ' PHE . . . . . . . . . . . . . 77.2 m-85 -120.16 131.18 54.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.158 -176.63 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 635' ' ' ILE . . . . . . . . . . . . . 75.8 mt -91.71 109.78 21.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.231 -172.752 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 70.6 tp60 -78.08 -37.86 45.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.202 176.642 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 637' ' ' HIS . . . . . . . . . . . . . 81.7 t60 -162.4 142.08 9.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.177 174.648 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 638' ' ' GLY . . . . . . . . . . . . . . . 113.03 177.63 19.58 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 177.122 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 639' ' ' VAL . . . . . . . . . . . . . 85.5 t -124.84 138.0 55.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.782 0.325 . . . . 0.0 111.231 -177.514 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 640' ' ' VAL . . . . . . . . . . . . . 17.6 m -123.98 147.53 28.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.179 177.207 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 641' ' ' SER . . . . . . . . . . . . . 29.1 t -95.01 123.47 38.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.224 176.16 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 642' ' ' VAL . . . . . 0.415 HG22 HG22 ' A' ' 673' ' ' VAL . 58.6 t -111.68 114.68 47.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.21 -177.829 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 643' ' ' LEU . . . . . . . . . . . . . 64.5 tp -112.59 120.0 40.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.182 -178.255 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 644' ' ' THR . . . . . . . . . . . . . 92.1 m -112.4 144.41 41.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.182 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -54.27 144.87 19.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.232 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 646' ' ' GLY . . . . . . . . . . . . . . . 100.6 7.92 50.2 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 -173.374 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 647' ' ' ASN . . . . . . . . . . . . . 52.7 t30 69.86 47.29 0.62 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.778 0.323 . . . . 0.0 111.162 179.768 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 648' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -110.18 94.52 5.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.22 179.78 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 649' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -100.05 120.04 39.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.199 -177.094 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 650' ' ' THR . . . . . . . . . . . . . 63.2 p -134.56 172.71 12.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.165 176.411 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 651' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -133.23 145.34 50.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.159 177.524 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 91.1 mt -121.75 149.3 43.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.163 176.28 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -129.48 -169.75 2.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.164 -170.698 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 654' ' ' ASP . . . . . . . . . . . . . 65.3 t0 -55.96 121.81 10.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.214 178.26 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 655' ' ' GLY . . . . . . . . . . . . . . . 100.05 -6.07 58.12 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 -179.721 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 656' ' ' SER . . . . . . . . . . . . . 34.4 m -93.76 169.77 10.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.798 0.332 . . . . 0.0 111.203 175.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 657' ' ' TYR . . . . . . . . . . . . . 34.1 p90 -157.53 169.1 25.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.197 178.524 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 658' ' ' PHE . . . . . . . . . . . . . 40.9 p90 -159.72 171.02 20.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.178 -177.574 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 659' ' ' GLY . . . . . . . . . . . . . . . 90.59 1.99 73.49 Favored Glycine 0 CA--C 1.522 0.521 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 177.594 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 660' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -59.58 -53.74 54.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.811 0.338 . . . . 0.0 111.221 178.854 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 661' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.05 -40.48 87.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.203 178.839 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 662' ' ' CYS . . . . . . . . . . . . . 42.2 t -54.57 -54.54 40.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.164 179.31 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 663' ' ' LEU . . . . . 0.563 ' C ' HD23 ' A' ' 663' ' ' LEU . 8.5 tt -60.42 -43.57 96.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.222 -179.87 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 81.0 mt -61.1 -39.76 91.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.171 -177.526 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 665' ' ' THR . . . . . . . . . . . . . 67.9 p -80.7 165.88 21.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.151 179.681 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 666' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -120.06 47.14 1.8 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.151 178.459 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . -148.88 -171.52 17.72 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 111.176 -0.769 . . . . 0.0 111.176 -178.037 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 89.9 mtm180 -79.26 137.98 37.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.815 0.341 . . . . 0.0 111.212 -178.074 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 77.5 ttt180 -76.77 141.72 40.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.195 -179.639 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 670' ' ' THR . . . . . . . . . . . . . 40.1 p -102.47 38.23 1.74 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.18 -179.595 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 671' ' ' ALA . . . . . . . . . . . . . . . -159.2 155.51 27.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.215 -177.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 672' ' ' SER . . . . . . . . . . . . . 95.9 p -132.91 155.37 49.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.195 178.565 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 673' ' ' VAL . . . . . 0.415 HG22 HG22 ' A' ' 642' ' ' VAL . 47.4 t -135.0 129.96 51.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.237 -177.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 674' ' ' ARG . . . . . 0.437 ' HD2' ' O ' ' A' ' 619' ' ' GLY . 60.1 ttp180 -131.12 134.1 46.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.186 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 675' ' ' ALA . . . . . . . . . . . . . . . -68.08 130.72 43.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.213 -177.045 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 676' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -85.83 -20.87 28.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.222 -178.32 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 677' ' ' THR . . . . . 0.441 ' O ' ' SG ' ' A' ' 679' ' ' CYS . 14.7 t -155.72 -169.04 2.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.189 -178.557 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 678' ' ' TYR . . . . . . . . . . . . . 89.7 t80 -59.99 99.88 0.08 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.242 172.816 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 679' ' ' CYS . . . . . 0.441 ' SG ' ' O ' ' A' ' 677' ' ' THR . 79.3 m -113.3 141.22 47.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.203 -171.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 680' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -115.82 115.07 25.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.218 174.58 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 681' ' ' LEU . . . . . . . . . . . . . 5.8 mp -119.96 155.25 33.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.182 -174.021 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 682' ' ' TYR . . . . . 0.414 ' HB3' HD22 ' A' ' 611' ' ' LEU . 80.3 m-85 -116.21 138.92 50.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.2 166.89 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 683' ' ' SER . . . . . . . . . . . . . 66.2 m -116.51 143.05 46.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.176 -177.33 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 684' ' ' LEU . . . . . 0.408 ' HG ' HD23 ' A' ' 611' ' ' LEU . 74.4 mt -133.48 127.4 33.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.241 170.391 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 85.0 p -83.74 158.81 21.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.218 179.181 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 686' ' ' VAL . . . . . . . . . . . . . 10.6 p -56.09 -31.54 31.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.237 171.58 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 687' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -64.3 -44.04 92.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.205 176.169 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 688' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -63.29 -43.5 97.71 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.148 176.489 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 689' ' ' PHE . . . . . . . . . . . . . 33.8 m-85 -62.75 -34.44 77.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.24 179.574 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 690' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -68.21 -44.1 76.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.18 175.505 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 691' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -58.45 -41.51 85.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.142 -179.098 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 692' ' ' VAL . . . . . . . . . . . . . 55.7 t -50.37 -35.11 12.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.236 177.65 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 693' ' ' LEU . . . . . . . . . . . . . 79.7 mt -94.74 -5.0 46.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.21 -172.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 694' ' ' GLU . . . . . 0.528 ' HA ' ' HE ' ' A' ' 700' ' ' ARG . 96.6 mt-10 -109.89 -10.97 14.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.2 -177.61 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 695' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -74.24 -7.61 53.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.204 174.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 696' ' ' TYR . . . . . . . . . . . . . 39.4 m-85 -125.56 80.79 65.61 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.154 178.15 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 697' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_exo -55.5 -31.53 78.72 Favored 'Trans proline' 0 N--CA 1.459 -0.533 0 C-N-CA 121.682 1.588 . . . . 0.0 111.195 -178.046 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 698' ' ' MET . . . . . . . . . . . . . 100.0 mmm -63.6 -31.76 73.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.191 -175.854 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 699' ' ' MET . . . . . . . . . . . . . 97.1 mmm -118.76 10.02 12.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.179 -178.491 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 700' ' ' ARG . . . . . 0.528 ' HE ' ' HA ' ' A' ' 694' ' ' GLU . 40.3 ttm180 -60.04 -34.48 73.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.207 -177.738 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -71.38 -39.22 71.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.185 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 702' ' ' ALA . . . . . . . . . . . . . . . -69.27 -28.82 66.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.202 175.268 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 703' ' ' PHE . . . . . . . . . . . . . 21.1 m-30 -80.03 -0.15 34.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.19 -177.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 704' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -64.58 -21.71 66.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.18 175.634 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 705' ' ' THR . . . . . . . . . . . . . 82.0 p -97.19 6.2 48.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.257 178.28 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 706' ' ' VAL . . . . . . . . . . . . . 87.4 t -105.56 128.46 59.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.199 -179.164 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 707' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.2 -1.519 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.209 177.194 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 577' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.736 0.303 . . . . 0.0 111.202 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 578' ' ' SER . . . . . . . . . . . . . 83.8 p -92.06 -176.81 4.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.177 -177.607 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -89.94 83.36 6.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.223 176.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 580' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -72.34 169.61 15.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.209 -175.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 581' ' ' ILE . . . . . . . . . . . . . 97.0 mt -63.81 133.41 29.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.167 179.403 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 582' ' ' ILE . . . . . 0.407 HD12 ' HB3' ' A' ' 586' ' ' CYS . 44.9 pt -73.55 153.47 7.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.17 -175.161 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 583' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -64.94 165.51 10.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.169 -179.388 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 584' ' ' PHE . . . . . . . . . . . . . 69.9 t80 -60.82 119.85 9.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.169 177.324 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 585' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 55.8 39.2 30.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.222 -175.515 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 586' ' ' CYS . . . . . 0.407 ' HB3' HD12 ' A' ' 582' ' ' ILE . 41.8 t -56.34 -28.78 60.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.213 175.356 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 587' ' ' ARG . . . . . . . . . . . . . 60.0 ttp180 -46.85 -41.66 16.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.234 174.718 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 588' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -69.62 -25.18 63.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.166 -176.755 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 95.5 mt -80.7 -36.23 32.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.199 -178.182 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 590' ' ' VAL . . . . . . . . . . . . . 70.1 t -77.42 -38.39 26.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.209 175.456 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 591' ' ' ALA . . . . . . . . . . . . . . . -68.4 -14.12 62.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.198 -174.612 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 59.8 p -63.52 -24.9 68.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.222 177.771 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 593' ' ' MET . . . . . 0.415 ' HG2' ' H ' ' A' ' 595' ' ' LEU . 53.4 ttm -69.96 133.35 88.1 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.183 174.867 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 99.9 Cg_exo -51.76 -37.46 65.15 Favored 'Trans proline' 0 N--CA 1.459 -0.559 0 C-N-CA 121.656 1.57 . . . . 0.0 111.225 -179.309 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 595' ' ' LEU . . . . . 0.415 ' H ' ' HG2' ' A' ' 593' ' ' MET . 88.1 mt -61.57 -29.65 70.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.192 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 596' ' ' PHE . . . . . . . . . . . . . 72.9 m-85 -107.85 14.55 25.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.207 -179.233 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 597' ' ' ALA . . . . . . . . . . . . . . . -71.85 -48.9 42.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.217 -179.597 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 598' ' ' ASN . . . . . . . . . . . . . 72.6 m-80 -110.13 12.94 23.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.227 -179.346 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 599' ' ' ALA . . . . . . . . . . . . . . . -66.85 149.97 49.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.204 -179.176 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 600' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -64.16 134.77 96.06 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.218 179.22 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 601' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_exo -51.08 -36.62 55.47 Favored 'Trans proline' 0 N--CA 1.457 -0.631 0 C-N-CA 121.726 1.617 . . . . 0.0 111.184 -178.066 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 602' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -70.46 -41.44 72.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.197 -178.518 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 603' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -61.28 -44.03 97.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.184 175.687 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 604' ' ' VAL . . . . . . . . . . . . . 78.5 t -62.52 -45.55 98.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.153 178.021 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 605' ' ' THR . . . . . . . . . . . . . 88.7 m -55.15 -48.52 73.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.192 177.06 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 606' ' ' SER . . . . . . . . . . . . . 73.6 m -54.29 -45.81 72.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.223 177.636 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 33.0 mmt -60.13 -46.01 91.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.137 176.154 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 608' ' ' LEU . . . . . 0.401 HD23 HD11 ' A' ' 611' ' ' LEU . 80.1 mt -55.96 -40.42 73.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.169 -177.065 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 609' ' ' THR . . . . . . . . . . . . . 65.9 p -76.48 -14.99 60.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.192 -178.341 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 610' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -104.87 8.65 34.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.205 -178.317 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 611' ' ' LEU . . . . . 0.443 HD23 ' CD2' ' A' ' 684' ' ' LEU . 80.3 mt -64.21 130.34 43.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.201 178.284 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 612' ' ' ARG . . . . . . . . . . . . . 75.7 ttt180 -102.46 123.76 46.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.223 177.197 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 613' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -102.02 147.77 26.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.222 -174.271 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -154.24 132.12 11.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.217 -178.463 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 615' ' ' VAL . . . . . . . . . . . . . 88.1 t -86.3 141.32 14.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.191 178.018 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 616' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -128.84 133.62 48.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.212 -179.647 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 617' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -90.9 165.18 22.86 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.235 179.263 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 618' ' ' PRO . . . . . . . . . . . . . 69.9 Cg_exo -54.51 117.06 3.54 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 121.707 1.605 . . . . 0.0 111.247 175.036 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 619' ' ' GLY . . . . . . . . . . . . . . . 94.78 -5.07 69.24 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 178.061 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 620' ' ' ASP . . . . . . . . . . . . . 62.7 t0 -74.77 125.86 29.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.767 0.317 . . . . 0.0 111.173 178.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 621' ' ' TYR . . . . . . . . . . . . . 53.5 m-85 -77.05 140.11 40.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.161 -175.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 622' ' ' ILE . . . . . . . . . . . . . 77.4 mt -105.74 -42.96 7.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.178 176.16 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 623' ' ' ILE . . . . . . . . . . . . . 59.1 mt -130.27 136.89 57.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.21 178.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 96.3 mtt-85 -120.11 124.79 46.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.225 172.733 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 625' ' ' GLU . . . . . . . . . . . . . 23.2 pt-20 -66.99 156.12 36.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.172 -179.64 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 626' ' ' GLY . . . . . . . . . . . . . . . 92.09 7.42 64.09 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.191 -0.764 . . . . 0.0 111.191 179.646 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 627' ' ' THR . . . . . . . . . . . . . 70.6 p -122.53 153.83 38.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.846 0.355 . . . . 0.0 111.19 176.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 628' ' ' ILE . . . . . . . . . . . . . 46.3 mm -64.02 127.18 24.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.22 -175.654 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 629' ' ' GLY . . . . . . . . . . . . . . . -87.01 141.59 17.77 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 630' ' ' LYS . . . . . . . . . . . . . 62.1 pttt -169.61 21.6 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.829 0.347 . . . . 0.0 111.229 -178.413 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 631' ' ' LYS . . . . . 0.479 ' HB2' HH22 ' A' ' 669' ' ' ARG . 98.6 mttt -142.25 150.04 40.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.219 179.479 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 632' ' ' MET . . . . . . . . . . . . . 71.6 mtm -118.98 137.94 53.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.187 172.403 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 633' ' ' TYR . . . . . . . . . . . . . 83.6 m-85 -115.08 136.24 53.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.186 -170.083 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 634' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 -120.26 139.85 52.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.224 175.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 635' ' ' ILE . . . . . 0.435 HG12 HD21 ' A' ' 681' ' ' LEU . 73.5 mt -92.89 103.06 14.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.159 -177.546 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -62.93 -51.0 68.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.165 174.652 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 637' ' ' HIS . . . . . . . . . . . . . 53.5 p-80 -159.07 169.1 25.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.167 172.161 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 638' ' ' GLY . . . . . . . . . . . . . . . 91.37 -175.53 39.39 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.174 -0.77 . . . . 0.0 111.174 178.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 639' ' ' VAL . . . . . . . . . . . . . 91.6 t -125.92 137.31 58.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.814 0.34 . . . . 0.0 111.209 -177.038 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 640' ' ' VAL . . . . . . . . . . . . . 30.4 m -124.84 154.49 32.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.229 175.807 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 641' ' ' SER . . . . . . . . . . . . . 33.4 t -105.34 123.36 47.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.162 176.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 642' ' ' VAL . . . . . 0.41 HG22 HG22 ' A' ' 673' ' ' VAL . 64.0 t -110.62 114.08 46.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.185 -179.126 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 643' ' ' LEU . . . . . . . . . . . . . 69.5 tp -111.28 114.02 26.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.184 -178.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 644' ' ' THR . . . . . 0.404 ' HB ' ' HB2' ' A' ' 648' ' ' LYS . 97.1 m -99.88 139.94 34.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.194 -178.754 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -50.27 126.86 15.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.233 -179.042 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 646' ' ' GLY . . . . . . . . . . . . . . . 118.47 10.17 8.85 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 -175.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 647' ' ' ASN . . . . . . . . . . . . . 53.0 t30 69.06 45.81 0.87 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.79 0.329 . . . . 0.0 111.162 -179.591 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 648' ' ' LYS . . . . . 0.404 ' HB2' ' HB ' ' A' ' 644' ' ' THR . 94.0 mttt -109.69 90.05 3.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.179 178.358 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 649' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -97.61 111.9 23.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.18 -175.414 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 650' ' ' THR . . . . . . . . . . . . . 71.6 p -125.95 167.29 15.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.21 175.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 651' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -128.84 145.46 51.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.201 178.807 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 85.9 mt -126.58 152.96 45.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.188 178.195 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -133.64 -177.66 4.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.191 -172.804 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 654' ' ' ASP . . . . . . . . . . . . . 66.6 t0 -43.01 124.14 3.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.191 179.027 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 655' ' ' GLY . . . . . . . . . . . . . . . 100.61 -5.4 56.91 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 172.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 656' ' ' SER . . . . . . . . . . . . . 74.1 m -98.08 175.85 5.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.806 0.336 . . . . 0.0 111.219 177.504 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 657' ' ' TYR . . . . . . . . . . . . . 30.2 p90 -150.76 168.18 25.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.212 -178.821 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 658' ' ' PHE . . . . . . . . . . . . . 42.8 p90 -161.02 159.89 29.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.217 178.474 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 659' ' ' GLY . . . . . 0.571 ' HA2' ' SG ' ' A' ' 662' ' ' CYS . . . 93.23 7.5 62.15 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 178.717 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 660' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -54.87 -50.16 69.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.79 0.328 . . . . 0.0 111.21 179.58 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 661' ' ' ILE . . . . . . . . . . . . . 95.1 mt -67.96 -32.86 58.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.19 -177.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 662' ' ' CYS . . . . . 0.571 ' SG ' ' HA2' ' A' ' 659' ' ' GLY . 78.6 m -54.66 -50.43 68.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.214 -176.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 663' ' ' LEU . . . . . . . . . . . . . 17.9 tp -80.02 -39.94 28.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.204 179.52 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 59.8 tp -53.26 -44.85 68.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.225 -179.522 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 665' ' ' THR . . . . . . . . . . . . . 45.3 p -101.51 -168.95 1.62 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.22 178.554 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 666' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -125.37 159.93 30.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.138 178.685 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 109.83 -171.83 15.34 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 178.34 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 92.0 mtm180 -80.64 155.09 27.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.81 0.338 . . . . 0.0 111.222 -178.473 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 669' ' ' ARG . . . . . 0.57 ' HE ' ' HB3' ' A' ' 662' ' ' CYS . 97.9 mtt180 -79.39 141.54 36.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.185 178.302 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 670' ' ' THR . . . . . . . . . . . . . 60.7 p -109.72 26.53 10.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.235 179.765 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 671' ' ' ALA . . . . . . . . . . . . . . . -150.79 151.02 31.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.229 -179.575 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 672' ' ' SER . . . . . . . . . . . . . 67.5 m -121.99 152.06 40.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.222 177.073 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 673' ' ' VAL . . . . . 0.41 HG22 HG22 ' A' ' 642' ' ' VAL . 58.6 t -135.04 132.98 53.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.253 -178.266 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 674' ' ' ARG . . . . . . . . . . . . . 58.6 ttp180 -134.96 133.8 39.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.199 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 675' ' ' ALA . . . . . . . . . . . . . . . -69.28 132.65 46.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.193 -177.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 676' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -86.57 -19.25 29.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.169 -175.848 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 14.0 t -152.33 -176.23 5.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.18 -178.668 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 678' ' ' TYR . . . . . . . . . . . . . 76.7 t80 -81.47 122.3 27.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.221 178.247 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 679' ' ' CYS . . . . . . . . . . . . . 30.9 p -166.46 -175.65 3.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.259 -175.358 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 680' ' ' ARG . . . . . . . . . . . . . 38.2 ttm180 -130.03 139.99 50.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.21 179.643 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 681' ' ' LEU . . . . . 0.435 HD21 HG12 ' A' ' 635' ' ' ILE . 4.6 mp -124.31 171.75 9.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.148 174.9 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 682' ' ' TYR . . . . . . . . . . . . . 51.4 p90 -146.15 147.85 31.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.188 173.155 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 683' ' ' SER . . . . . . . . . . . . . 88.7 p -138.36 161.99 35.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.23 -167.148 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 684' ' ' LEU . . . . . 0.443 ' CD2' HD23 ' A' ' 611' ' ' LEU . 61.3 mt -116.33 134.72 54.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.197 170.052 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 26.1 t -100.66 149.43 23.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.179 178.027 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 686' ' ' VAL . . . . . . . . . . . . . 7.6 p -52.94 -29.1 14.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.237 174.17 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 687' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -61.16 -43.82 98.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.192 175.437 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 688' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -66.67 -37.81 85.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.222 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 689' ' ' PHE . . . . . . . . . . . . . 37.0 m-85 -62.53 -46.17 89.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.205 175.164 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 690' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -59.97 -40.03 87.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.204 -179.508 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 691' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -55.64 -51.02 68.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.211 177.394 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 692' ' ' VAL . . . . . . . . . . . . . 65.8 t -66.76 -40.83 86.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.219 -178.811 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 693' ' ' LEU . . . . . . . . . . . . . 92.2 mt -63.9 -39.73 94.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.199 -177.791 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 694' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -76.27 -33.05 59.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.198 177.214 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 695' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -65.3 -41.27 94.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.186 -179.274 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 696' ' ' TYR . . . . . . . . . . . . . 86.8 m-85 -116.28 101.9 53.72 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.194 177.616 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 697' ' ' PRO . . . . . . . . . . . . . 80.6 Cg_exo -53.7 -32.3 64.67 Favored 'Trans proline' 0 N--CA 1.458 -0.592 0 C-N-CA 121.69 1.593 . . . . 0.0 111.177 -179.022 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 698' ' ' MET . . . . . . . . . . . . . 99.6 mmm -65.44 -35.8 82.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.189 178.384 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 699' ' ' MET . . . . . . . . . . . . . 67.3 mtt -80.11 -29.95 39.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.136 -179.722 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 700' ' ' ARG . . . . . . . . . . . . . 80.2 ttt180 -41.58 -55.77 2.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.203 -178.157 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -84.66 -40.4 17.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.202 -175.81 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 702' ' ' ALA . . . . . . . . . . . . . . . -56.02 -40.02 72.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.198 -175.446 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 703' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -112.26 22.51 14.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.198 -176.506 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 704' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -64.18 -35.15 79.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.24 178.499 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 705' ' ' THR . . . . . . . . . . . . . 81.1 p -91.44 1.22 57.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.193 -178.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 706' ' ' VAL . . . . . . . . . . . . . 83.9 t -97.3 107.75 20.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.233 -179.707 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 707' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.2 -1.516 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.179 -177.757 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 577' ' ' ASN . . . . . . . . . . . . . 73.0 m-80 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.759 0.314 . . . . 0.0 111.215 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 578' ' ' SER . . . . . . . . . . . . . 96.6 p -84.28 -14.46 49.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.151 -178.519 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -69.05 145.36 53.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.212 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 580' ' ' GLU . . . . . 0.432 ' HB3' ' HG2' ' A' ' 612' ' ' ARG . 44.2 tt0 -66.02 140.66 58.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.167 179.762 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 581' ' ' ILE . . . . . . . . . . . . . 83.4 mt -89.88 133.84 30.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.219 177.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 15.9 tt -65.45 153.4 8.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.221 -179.178 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 583' ' ' ASN . . . . . 0.439 ' O ' ' SG ' ' A' ' 586' ' ' CYS . 53.9 t30 -40.04 127.43 2.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.243 176.306 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 584' ' ' PHE . . . . . . . . . . . . . 78.8 m-85 -71.1 155.58 40.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.231 -174.321 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 585' ' ' ASN . . . . . . . . . . . . . 56.0 t30 66.46 46.18 1.96 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.216 -177.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 586' ' ' CYS . . . . . 0.439 ' SG ' ' O ' ' A' ' 583' ' ' ASN . 19.3 p -130.73 5.87 4.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.158 177.66 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 587' ' ' ARG . . . . . . . . . . . . . 58.6 ttp180 -46.55 -42.04 15.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.235 -177.045 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 588' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -62.09 -49.71 74.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.203 178.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 94.9 mt -62.43 -32.62 73.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.187 -177.001 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 590' ' ' VAL . . . . . . . . . . . . . 75.6 t -71.87 -50.1 40.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.212 175.26 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 591' ' ' ALA . . . . . . . . . . . . . . . -66.63 -22.06 66.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.196 -175.688 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 53.2 p -65.86 -19.6 65.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.203 -179.579 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 593' ' ' MET . . . . . . . . . . . . . 97.4 mmm -79.85 138.4 53.84 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.199 177.236 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 70.0 Cg_exo -52.44 -40.37 71.62 Favored 'Trans proline' 0 N--CA 1.457 -0.628 0 C-N-CA 121.674 1.583 . . . . 0.0 111.214 -174.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 595' ' ' LEU . . . . . . . . . . . . . 65.7 tp -50.64 -44.38 57.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.234 -179.04 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 596' ' ' PHE . . . . . . . . . . . . . 99.8 m-85 -94.75 -25.3 16.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.189 -172.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 597' ' ' ALA . . . . . . . . . . . . . . . -60.5 -39.26 87.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.194 174.68 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 598' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -92.99 10.57 30.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.239 -179.784 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 599' ' ' ALA . . . . . . . . . . . . . . . -106.56 155.97 19.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.182 178.566 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 600' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -60.68 132.14 91.29 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.199 178.169 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 601' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_exo -53.32 -34.47 70.63 Favored 'Trans proline' 0 N--CA 1.458 -0.599 0 C-N-CA 121.681 1.587 . . . . 0.0 111.189 -179.182 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 602' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -67.04 -29.77 69.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.19 -178.157 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 603' ' ' PHE . . . . . . . . . . . . . 20.6 m-30 -86.95 -33.35 19.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.163 179.751 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 604' ' ' VAL . . . . . . . . . . . . . 76.9 t -60.24 -47.01 93.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.204 176.368 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 605' ' ' THR . . . . . . . . . . . . . 76.5 p -70.97 -19.92 62.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.212 -179.196 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 606' ' ' SER . . . . . . . . . . . . . 58.3 m -79.43 -37.89 36.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.203 175.461 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 90.9 mmm -64.86 -20.18 66.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.22 179.15 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 608' ' ' LEU . . . . . . . . . . . . . 90.2 mt -57.26 -27.18 61.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.213 176.766 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 609' ' ' THR . . . . . . . . . . . . . 82.0 p -95.46 7.18 46.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.187 -179.301 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 610' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -121.75 -24.22 5.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.213 178.853 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 611' ' ' LEU . . . . . . . . . . . . . 83.5 mt -77.92 153.16 32.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.201 178.822 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 612' ' ' ARG . . . . . 0.432 ' HG2' ' HB3' ' A' ' 580' ' ' GLU . 80.8 mtp180 -124.86 167.91 13.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.195 -178.527 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 613' ' ' PHE . . . . . . . . . . . . . 47.9 p90 -134.45 159.86 39.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.233 174.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -140.0 133.74 30.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.203 -177.038 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 615' ' ' VAL . . . . . 0.424 HG22 ' HE ' ' A' ' 680' ' ' ARG . 98.3 t -97.07 143.9 11.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.172 176.841 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 616' ' ' PHE . . . . . 0.644 ' HB2' ' SG ' ' A' ' 679' ' ' CYS . 97.7 m-85 -136.58 150.03 48.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.184 -176.736 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 617' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 -112.48 163.42 17.86 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.18 -177.215 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 618' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_exo -53.12 123.18 12.59 Favored 'Trans proline' 0 N--CA 1.458 -0.59 0 C-N-CA 121.703 1.602 . . . . 0.0 111.188 178.351 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 619' ' ' GLY . . . . . . . . . . . . . . . 94.97 -12.16 68.78 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 176.031 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 620' ' ' ASP . . . . . . . . . . . . . 64.5 t0 -73.69 123.43 24.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.819 0.342 . . . . 0.0 111.161 -178.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 621' ' ' TYR . . . . . . . . . . . . . 63.8 m-85 -73.55 143.25 46.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.155 179.169 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 622' ' ' ILE . . . . . . . . . . . . . 58.9 mt -114.76 -46.3 4.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.192 -178.082 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 623' ' ' ILE . . . . . . . . . . . . . 70.5 mt -131.81 137.6 54.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.259 -179.525 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -111.76 125.45 54.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.233 175.731 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 625' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -62.06 135.84 57.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.213 178.064 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 626' ' ' GLY . . . . . . . . . . . . . . . 98.69 -18.17 57.29 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 176.004 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 627' ' ' THR . . . . . . . . . . . . . 44.2 p -90.63 165.47 13.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.826 0.346 . . . . 0.0 111.178 -178.209 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 628' ' ' ILE . . . . . . . . . . . . . 47.6 mm -95.72 110.45 24.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.197 -178.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 629' ' ' GLY . . . . . . . . . . . . . . . -135.38 136.41 8.48 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 176.244 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 630' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -119.39 38.66 3.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.775 0.322 . . . . 0.0 111.168 -175.797 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 631' ' ' LYS . . . . . 0.476 ' O ' ' NH2' ' A' ' 669' ' ' ARG . 99.4 mttt -125.68 127.96 47.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.186 -179.396 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 632' ' ' MET . . . . . . . . . . . . . 64.2 ttp -101.18 128.98 47.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.191 169.098 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 633' ' ' TYR . . . . . . . . . . . . . 78.8 m-85 -105.38 128.03 53.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.168 -172.739 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 634' ' ' PHE . . . . . . . . . . . . . 85.5 t80 -100.56 130.76 46.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.21 172.575 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 635' ' ' ILE . . . . . . . . . . . . . 68.7 mt -85.33 110.91 20.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.236 -174.108 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 -79.15 -39.89 32.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.209 176.349 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 637' ' ' HIS . . . . . . . . . . . . . 32.7 p80 -168.41 151.69 5.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.177 175.748 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 638' ' ' GLY . . . . . . . . . . . . . . . 104.06 175.65 25.51 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 -177.656 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 639' ' ' VAL . . . . . . . . . . . . . 92.7 t -122.68 133.25 69.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.79 0.328 . . . . 0.0 111.231 -174.803 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 640' ' ' VAL . . . . . . . . . . . . . 33.1 m -124.55 158.88 31.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.256 175.047 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 641' ' ' SER . . . . . . . . . . . . . 33.8 t -113.65 124.98 53.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.169 177.707 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 642' ' ' VAL . . . . . . . . . . . . . 81.5 t -112.71 119.69 61.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.186 -177.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 643' ' ' LEU . . . . . . . . . . . . . 66.6 tp -112.73 110.92 21.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.18 178.173 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 644' ' ' THR . . . . . . . . . . . . . 18.4 p -105.3 164.81 11.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.148 -172.746 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -52.22 157.18 1.45 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.177 167.366 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 646' ' ' GLY . . . . . . . . . . . . . . . 84.97 5.41 86.14 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 -171.151 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 647' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 59.91 50.02 7.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.766 0.317 . . . . 0.0 111.187 -179.242 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 648' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -115.74 115.62 26.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.2 -176.041 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 649' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -111.74 115.63 29.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.233 -177.082 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 650' ' ' THR . . . . . . . . . . . . . 72.6 p -130.0 166.05 20.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.19 179.335 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 651' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -122.48 144.24 49.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.205 176.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 85.9 mt -126.2 151.71 47.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.23 -178.776 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -140.31 -171.93 3.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.221 -176.772 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 654' ' ' ASP . . . . . . . . . . . . . 67.6 t0 -42.23 122.37 2.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.181 -179.445 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 655' ' ' GLY . . . . . . . . . . . . . . . 108.03 -16.55 35.94 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 173.61 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 656' ' ' SER . . . . . . . . . . . . . 70.5 m -97.2 174.36 6.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.783 0.325 . . . . 0.0 111.222 178.829 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 657' ' ' TYR . . . . . . . . . . . . . 51.9 p90 -151.52 165.04 35.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.232 178.547 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 658' ' ' PHE . . . . . . . . . . . . . 53.7 p90 -154.44 170.0 22.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.235 -178.809 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 659' ' ' GLY . . . . . 0.437 ' O ' ' SG ' ' A' ' 662' ' ' CYS . . . 88.98 14.27 61.01 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 -179.501 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 660' ' ' GLU . . . . . . . . . . . . . 24.8 pm0 -69.42 -10.1 56.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.782 0.325 . . . . 0.0 111.173 -179.269 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 661' ' ' ILE . . . . . . . . . . . . . 11.2 tp -58.96 -23.25 23.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.212 174.595 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 662' ' ' CYS . . . . . 0.437 ' SG ' ' O ' ' A' ' 659' ' ' GLY . 28.2 p -65.1 -19.98 66.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.174 178.212 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 663' ' ' LEU . . . . . . . . . . . . . 70.5 mt -93.02 -7.17 46.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.241 179.113 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 81.1 mt -109.94 -29.19 8.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.206 -174.719 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 665' ' ' THR . . . . . . . . . . . . . 34.7 p -115.39 -179.76 3.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.196 -179.339 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 666' ' ' ARG . . . . . . . . . . . . . 16.5 ptm180 -69.04 -10.18 56.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.223 175.231 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 139.19 -15.25 3.25 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 -177.095 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 63.7 ttm-85 -60.1 119.97 8.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.793 0.33 . . . . 0.0 111.234 177.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 669' ' ' ARG . . . . . 0.476 ' NH2' ' O ' ' A' ' 631' ' ' LYS . 23.4 mmt180 -79.99 127.49 32.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.171 179.642 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 670' ' ' THR . . . . . . . . . . . . . 76.3 p -101.3 22.71 12.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.201 179.511 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 671' ' ' ALA . . . . . . . . . . . . . . . -156.55 151.39 26.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.138 -178.505 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 672' ' ' SER . . . . . . . . . . . . . 57.9 m -110.92 132.2 54.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.203 170.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 673' ' ' VAL . . . . . . . . . . . . . 59.5 t -125.88 131.15 72.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.194 -173.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 674' ' ' ARG . . . . . . . . . . . . . 59.7 ttp180 -134.57 138.04 44.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.253 177.785 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 675' ' ' ALA . . . . . . . . . . . . . . . -70.12 132.91 46.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.236 -178.834 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 676' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -92.85 -38.33 11.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.235 178.667 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 44.6 p -130.19 165.67 21.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.188 175.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 678' ' ' TYR . . . . . . . . . . . . . 79.3 t80 -55.51 118.28 4.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.171 174.531 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 679' ' ' CYS . . . . . 0.644 ' SG ' ' HB2' ' A' ' 616' ' ' PHE . 31.5 p -142.37 164.71 29.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.192 -167.429 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 680' ' ' ARG . . . . . 0.424 ' HE ' HG22 ' A' ' 615' ' ' VAL . 41.7 ttm180 -132.51 130.15 40.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.211 175.335 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 681' ' ' LEU . . . . . . . . . . . . . 62.5 mt -117.22 149.94 39.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.241 -175.574 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 682' ' ' TYR . . . . . . . . . . . . . 15.3 m-30 -100.07 128.84 46.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.187 171.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 683' ' ' SER . . . . . . . . . . . . . 35.2 t -94.56 111.03 22.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.217 -172.079 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 684' ' ' LEU . . . . . . . . . . . . . 60.2 tp -116.04 102.04 9.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.2 174.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 83.2 p -86.53 164.21 17.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.192 -172.395 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 686' ' ' VAL . . . . . . . . . . . . . 75.2 t -61.53 -34.55 62.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.176 173.213 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 687' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -61.32 -40.05 92.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.194 173.513 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 688' ' ' ASN . . . . . . . . . . . . . 97.1 m-20 -69.47 -35.56 75.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.187 178.157 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 689' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -55.11 -51.59 65.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.201 168.664 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 690' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -59.59 -39.97 85.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.213 178.03 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 691' ' ' GLU . . . . . . . . . . . . . 53.5 tp10 -63.35 -60.06 3.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.234 -174.761 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 692' ' ' VAL . . . . . . . . . . . . . 9.5 p -62.58 -31.44 52.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.174 -175.037 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 693' ' ' LEU . . . . . . . . . . . . . 94.9 mt -78.97 -33.07 45.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.2 179.725 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 694' ' ' GLU . . . . . 0.508 ' HA ' ' HE ' ' A' ' 700' ' ' ARG . 88.8 tt0 -70.0 -33.82 72.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.179 177.405 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 695' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -56.81 -39.39 74.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.255 178.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 696' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -108.1 106.53 58.78 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.191 175.181 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 697' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -54.01 -31.72 65.31 Favored 'Trans proline' 0 N--CA 1.458 -0.599 0 C-N-CA 121.734 1.622 . . . . 0.0 111.192 -174.736 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 698' ' ' MET . . . . . . . . . . . . . 99.7 mmm -66.88 -29.62 69.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.243 -178.847 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 699' ' ' MET . . . . . . . . . . . . . 98.9 mmm -100.14 -14.4 18.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.196 -178.765 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 700' ' ' ARG . . . . . 0.508 ' HE ' ' HA ' ' A' ' 694' ' ' GLU . 40.4 ttm180 -50.98 -39.73 56.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.214 178.001 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -60.44 -28.53 68.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.165 -177.529 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 702' ' ' ALA . . . . . . . . . . . . . . . -60.73 -29.43 69.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.192 -175.44 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 703' ' ' PHE . . . . . . . . . . . . . 57.1 t80 -65.14 -19.21 65.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.196 -176.288 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 704' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -58.55 -26.52 63.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.232 178.817 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 705' ' ' THR . . . . . . . . . . . . . 72.9 p -82.87 -9.67 59.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.191 -178.616 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 706' ' ' VAL . . . . . . . . . . . . . 87.4 t -84.69 118.69 32.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.212 178.23 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 707' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.2 -1.535 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.191 179.133 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 577' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.788 0.327 . . . . 0.0 111.218 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 578' ' ' SER . . . . . . . . . . . . . 30.9 t -60.0 139.94 57.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.194 -178.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -105.1 20.79 18.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.209 179.659 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 580' ' ' GLU . . . . . . . . . . . . . 91.9 mt-10 56.89 54.62 6.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.185 179.624 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 581' ' ' ILE . . . . . . . . . . . . . 41.8 pt -110.12 39.99 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.14 -176.439 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 94.8 mt -82.86 134.68 26.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.218 -175.465 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 583' ' ' ASN . . . . . . . . . . . . . 33.3 t30 79.61 20.17 0.65 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.182 175.275 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 584' ' ' PHE . . . . . . . . . . . . . 22.3 m-30 -106.35 29.92 6.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.189 178.713 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 585' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 57.94 40.9 25.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.205 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 586' ' ' CYS . . . . . . . . . . . . . 71.2 m -91.21 -39.95 11.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.234 179.54 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 587' ' ' ARG . . . . . . . . . . . . . 42.8 ttm180 -59.84 -36.09 76.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.179 176.452 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 588' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -56.79 -47.97 78.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.207 173.701 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 95.9 mt -62.62 -41.95 99.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.189 -178.338 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 590' ' ' VAL . . . . . . . . . . . . . 53.8 t -62.81 -50.09 81.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.209 177.307 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 591' ' ' ALA . . . . . . . . . . . . . . . -64.89 -33.81 76.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.249 -176.2 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 60.1 p -67.9 -21.71 65.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.238 -176.652 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 593' ' ' MET . . . . . . . . . . . . . 11.9 tpt -60.15 118.09 29.9 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.214 -178.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_exo -55.64 -41.92 72.84 Favored 'Trans proline' 0 N--CA 1.458 -0.568 0 C-N-CA 121.69 1.593 . . . . 0.0 111.17 -175.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 595' ' ' LEU . . . . . . . . . . . . . 95.6 mt -74.23 -20.44 60.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.243 -172.617 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 596' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -129.96 24.94 5.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.217 -177.063 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 597' ' ' ALA . . . . . . . . . . . . . . . -66.25 -25.51 66.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.206 177.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 598' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -110.02 20.06 18.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.16 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 599' ' ' ALA . . . . . . . . . . . . . . . -66.51 149.83 49.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.172 178.654 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 600' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -62.01 150.08 84.35 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.215 179.604 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 601' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_exo -51.37 -35.8 55.56 Favored 'Trans proline' 0 N--CA 1.457 -0.625 0 C-N-CA 121.71 1.606 . . . . 0.0 111.245 175.555 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 602' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -66.1 -44.81 83.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.188 177.456 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 603' ' ' PHE . . . . . . . . . . . . . 11.3 m-30 -55.48 -47.71 75.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.183 175.034 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 604' ' ' VAL . . . . . . . . . . . . . 65.8 t -55.45 -51.76 53.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.21 179.646 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 605' ' ' THR . . . . . . . . . . . . . 96.4 m -56.09 -48.73 75.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.218 178.078 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 606' ' ' SER . . . . . . . . . . . . . 73.9 m -56.85 -43.13 80.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.162 -178.785 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 98.0 mtp -60.89 -47.01 88.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.16 175.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 608' ' ' LEU . . . . . . . . . . . . . 93.0 mt -58.15 -34.36 70.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.224 -177.573 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 609' ' ' THR . . . . . . . . . . . . . 71.0 p -85.0 -4.8 59.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.229 -178.21 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 610' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -110.16 -12.72 14.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.215 178.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 611' ' ' LEU . . . . . 0.454 HD23 ' HB2' ' A' ' 684' ' ' LEU . 60.0 mt -58.75 141.81 51.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.175 175.482 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 612' ' ' ARG . . . . . . . . . . . . . 52.9 ttt85 -116.07 120.02 37.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.229 175.142 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 613' ' ' PHE . . . . . . . . . . . . . 49.9 t80 -79.45 120.03 23.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.221 -177.441 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -133.51 132.07 40.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.21 177.785 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 615' ' ' VAL . . . . . . . . . . . . . 99.3 t -101.6 139.9 21.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.209 178.371 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 616' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -127.81 140.05 52.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.219 -178.823 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 617' ' ' GLN . . . . . . . . . . . . . 62.3 mt-30 -99.97 160.8 26.23 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.202 179.016 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 618' ' ' PRO . . . . . . . . . . . . . 80.4 Cg_exo -50.02 125.81 15.56 Favored 'Trans proline' 0 N--CA 1.458 -0.615 0 C-N-CA 121.688 1.592 . . . . 0.0 111.211 176.368 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 619' ' ' GLY . . . . . . . . . . . . . . . 100.4 -19.12 54.01 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 176.62 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 620' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -69.59 139.5 53.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.745 0.307 . . . . 0.0 111.201 -178.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 621' ' ' TYR . . . . . . . . . . . . . 57.3 m-85 -98.92 140.08 33.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.225 177.366 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 622' ' ' ILE . . . . . . . . . . . . . 4.2 mp -93.54 -39.98 11.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.195 172.664 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 623' ' ' ILE . . . . . . . . . . . . . 19.5 tt -151.59 149.47 13.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.192 172.7 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 96.8 mtt-85 -112.63 154.52 25.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.213 -179.458 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 625' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -59.92 119.61 8.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.172 177.727 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 626' ' ' GLY . . . . . . . . . . . . . . . 100.33 -5.96 57.61 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 -179.676 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 627' ' ' THR . . . . . . . . . . . . . 91.6 m -85.2 138.86 32.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.809 0.338 . . . . 0.0 111.2 177.182 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 628' ' ' ILE . . . . . 0.405 ' HA ' ' HA ' ' A' ' 668' ' ' ARG . 97.3 mt -72.28 119.73 19.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.215 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 629' ' ' GLY . . . . . . . . . . . . . . . -111.23 156.86 15.31 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 177.786 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 630' ' ' LYS . . . . . 0.428 ' HB2' ' HD2' ' A' ' 666' ' ' ARG . 63.7 pttt -161.75 20.26 0.11 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.789 0.328 . . . . 0.0 111.235 179.156 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 631' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -135.05 154.79 51.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.19 -177.758 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 632' ' ' MET . . . . . . . . . . . . . 60.2 mtp -108.07 140.19 41.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.196 172.755 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 633' ' ' TYR . . . . . . . . . . . . . 77.2 m-85 -117.58 121.93 42.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.196 -177.437 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 634' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -103.43 131.05 50.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.196 176.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 635' ' ' ILE . . . . . . . . . . . . . 77.3 mt -92.74 105.06 16.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.222 -173.717 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 25.1 tm0? -75.35 -30.12 60.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.2 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 637' ' ' HIS . . . . . . . . . . . . . 81.9 t60 -170.06 140.11 1.93 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.245 179.218 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 638' ' ' GLY . . . . . . . . . . . . . . . 113.49 174.4 18.89 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 177.03 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 639' ' ' VAL . . . . . . . . . . . . . 95.2 t -113.08 132.0 63.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.775 0.321 . . . . 0.0 111.151 -177.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 640' ' ' VAL . . . . . . . . . . . . . 96.6 t -131.99 134.24 60.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.194 179.472 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 641' ' ' SER . . . . . . . . . . . . . 58.8 m -97.3 131.4 44.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.185 179.57 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 642' ' ' VAL . . . . . . . . . . . . . 89.0 t -116.0 106.13 19.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.218 176.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 643' ' ' LEU . . . . . . . . . . . . . 68.4 tp -98.22 112.27 24.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.183 -179.192 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 644' ' ' THR . . . . . . . . . . . . . 97.9 m -98.12 138.12 35.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.244 -177.706 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 89.0 tttt -55.55 119.82 6.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.193 -176.082 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 646' ' ' GLY . . . . . . . . . . . . . . . 74.93 15.11 81.14 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 173.397 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 647' ' ' ASN . . . . . . . . . . . . . 65.6 m-80 -135.09 159.93 39.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.847 0.356 . . . . 0.0 111.171 -177.798 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 648' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -65.46 137.83 57.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.161 179.479 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 649' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -64.69 132.48 49.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.203 178.365 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 650' ' ' THR . . . . . . . . . . . . . 99.7 m -101.34 129.2 47.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.15 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 651' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -93.72 119.96 33.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.18 178.874 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 77.4 mt -112.13 149.66 31.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.196 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -138.57 -168.49 2.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.161 -175.46 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 654' ' ' ASP . . . . . . . . . . . . . 63.1 t0 -53.85 118.06 3.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.235 177.151 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 655' ' ' GLY . . . . . . . . . . . . . . . 104.17 -4.8 45.01 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 179.045 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 656' ' ' SER . . . . . . . . . . . . . 50.3 m -93.27 174.26 7.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.823 0.344 . . . . 0.0 111.196 178.422 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 657' ' ' TYR . . . . . . . . . . . . . 37.5 p90 -155.63 166.88 32.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.214 177.352 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 658' ' ' PHE . . . . . . . . . . . . . 51.8 p90 -155.1 175.1 14.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.19 176.506 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 659' ' ' GLY . . . . . 0.509 ' O ' ' HB2' ' A' ' 662' ' ' CYS . . . 93.5 4.17 64.24 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 111.244 -0.743 . . . . 0.0 111.244 -179.033 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 660' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -57.64 -32.14 66.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.804 0.335 . . . . 0.0 111.233 179.686 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 661' ' ' ILE . . . . . . . . . . . . . 11.0 tp -59.91 -27.31 38.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.195 178.756 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 662' ' ' CYS . . . . . 0.509 ' HB2' ' O ' ' A' ' 659' ' ' GLY . 99.8 m -75.24 -37.11 61.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.184 178.763 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 663' ' ' LEU . . . . . . . . . . . . . 55.0 tp -62.52 -39.76 94.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.174 173.689 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 66.3 tp -60.84 -58.76 7.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.195 173.221 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 665' ' ' THR . . . . . . . . . . . . . 86.4 m -146.95 119.55 8.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.202 176.671 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 666' ' ' ARG . . . . . 0.517 ' HD3' ' HB ' ' A' ' 686' ' ' VAL . 91.3 mtm180 -72.75 154.72 40.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.217 179.372 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 133.97 -163.96 24.48 Favored Glycine 0 CA--C 1.523 0.546 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 179.425 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 668' ' ' ARG . . . . . 0.405 ' HA ' ' HA ' ' A' ' 628' ' ' ILE . 88.8 mtm180 -63.74 121.58 14.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.801 0.334 . . . . 0.0 111.146 -176.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 78.2 ttt180 -94.2 130.68 40.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.214 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 670' ' ' THR . . . . . . . . . . . . . 33.6 p -87.69 57.54 4.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.244 -179.537 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 671' ' ' ALA . . . . . . . . . . . . . . . -161.42 149.62 15.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.155 -178.354 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 672' ' ' SER . . . . . . . . . . . . . 71.3 m -117.91 131.32 56.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.213 175.721 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 673' ' ' VAL . . . . . . . . . . . . . 67.1 t -119.86 123.07 70.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.187 -175.645 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 674' ' ' ARG . . . . . . . . . . . . . 60.9 ttp180 -130.94 131.36 44.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.205 -174.778 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 675' ' ' ALA . . . . . 0.427 ' HB1' ' SG ' ' A' ' 679' ' ' CYS . . . -72.71 142.87 48.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.224 177.402 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 676' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -106.31 -33.96 7.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.181 -178.742 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 31.7 p -124.96 -177.19 3.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.221 179.768 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 678' ' ' TYR . . . . . . . . . . . . . 81.2 t80 -59.95 99.99 0.08 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.176 169.433 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 679' ' ' CYS . . . . . 0.427 ' SG ' ' HB1' ' A' ' 675' ' ' ALA . 82.7 m -107.66 137.34 45.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.144 -169.26 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 680' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -115.27 107.26 15.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.228 173.401 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 681' ' ' LEU . . . . . . . . . . . . . 8.1 mp -111.45 150.22 30.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.173 -173.562 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 682' ' ' TYR . . . . . . . . . . . . . 87.5 m-85 -117.89 119.06 33.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.206 171.071 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 683' ' ' SER . . . . . . . . . . . . . 40.5 t -94.26 140.12 30.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.184 -176.638 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 684' ' ' LEU . . . . . 0.454 ' HB2' HD23 ' A' ' 611' ' ' LEU . 39.7 tp -139.49 120.7 14.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.229 173.551 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 59.7 p -73.73 155.4 38.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.196 -172.848 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 686' ' ' VAL . . . . . 0.517 ' HB ' ' HD3' ' A' ' 666' ' ' ARG . 66.9 t -60.51 -36.76 71.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.218 174.909 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 687' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -56.77 -43.94 81.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.209 173.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 688' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -66.63 -40.06 88.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.188 178.53 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 689' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -54.92 -43.93 73.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.245 174.044 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 690' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -64.46 -44.58 90.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.164 178.419 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 691' ' ' GLU . . . . . . . . . . . . . 64.4 mt-10 -56.91 -41.63 78.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.193 179.487 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 692' ' ' VAL . . . . . . . . . . . . . 69.0 t -70.19 -54.93 16.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.182 -179.632 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 693' ' ' LEU . . . . . . . . . . . . . 43.7 tp -63.73 -35.37 80.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.197 -172.36 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 694' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -85.86 -6.68 59.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.193 -177.266 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 695' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -56.74 -41.84 78.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.178 179.519 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 696' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -110.01 107.54 58.87 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.174 173.522 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 697' ' ' PRO . . . . . . . . . . . . . 79.3 Cg_exo -54.88 -34.84 87.22 Favored 'Trans proline' 0 N--CA 1.459 -0.549 0 C-N-CA 121.71 1.607 . . . . 0.0 111.174 -174.291 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 698' ' ' MET . . . . . . . . . . . . . 99.9 mmm -63.07 -29.63 70.96 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.15 -178.155 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 699' ' ' MET . . . . . . . . . . . . . 97.8 mmm -100.05 -2.67 33.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.188 -179.437 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 700' ' ' ARG . . . . . . . . . . . . . 78.6 ttt-85 -64.97 -30.59 71.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.19 -179.329 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 16.4 ptm180 -60.26 -20.39 58.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.179 -179.602 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 702' ' ' ALA . . . . . . . . . . . . . . . -62.97 -20.87 65.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.19 178.771 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 703' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -54.24 -27.65 36.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.216 177.635 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 704' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -60.0 -31.5 69.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.214 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 705' ' ' THR . . . . . . . . . . . . . 81.4 p -99.99 -29.91 12.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.221 -178.721 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 706' ' ' VAL . . . . . 0.492 ' O ' ' O ' ' A' ' 707' ' ' ALA . 76.7 t -67.88 132.7 32.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.233 177.179 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 707' ' ' ALA . . . . . 0.492 ' O ' ' O ' ' A' ' 706' ' ' VAL . . . . . . . . 0 C--O 1.2 -1.539 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.213 178.596 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 586' ' ' CYS . . . . . . . . . . . . . 74.3 m . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.812 0.339 . . . . 0.0 111.212 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 587' ' ' ARG . . . . . . . . . . . . . 63.8 ttm-85 -56.84 -46.61 81.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.199 179.094 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 588' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -64.88 -32.86 74.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.175 -179.316 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 93.6 mt -67.36 -45.07 77.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.184 179.317 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 590' ' ' VAL . . . . . . . . . . . . . 62.2 t -64.18 -42.27 94.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.173 175.505 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 591' ' ' ALA . . . . . . . . . . . . . . . -75.96 -1.0 23.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.191 -176.328 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 74.0 m -60.4 -29.23 68.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.208 174.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 593' ' ' MET . . . . . . . . . . . . . 27.5 ttt -77.75 130.63 72.88 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.183 175.408 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_exo -52.44 -42.75 59.22 Favored 'Trans proline' 0 N--CA 1.458 -0.573 0 C-N-CA 121.689 1.592 . . . . 0.0 111.197 -178.139 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 595' ' ' LEU . . . . . . . . . . . . . 65.3 tp -60.79 -47.45 86.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.213 179.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 596' ' ' PHE . . . . . . . . . . . . . 11.5 m-30 -74.0 -21.57 59.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.218 -176.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 597' ' ' ALA . . . . . . . . . . . . . . . -71.88 -39.94 69.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.153 171.521 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 598' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -68.28 -32.35 72.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.23 175.009 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 599' ' ' ALA . . . . . . . . . . . . . . . -61.45 146.63 47.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.157 174.448 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 600' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -72.09 153.54 92.59 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.17 -176.295 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 601' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_exo -53.06 -29.4 44.8 Favored 'Trans proline' 0 N--CA 1.458 -0.595 0 C-N-CA 121.708 1.606 . . . . 0.0 111.223 179.532 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 602' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -64.67 -35.61 81.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.196 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 603' ' ' PHE . . . . . . . . . . . . . 80.4 m-85 -80.78 -37.65 29.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.199 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 604' ' ' VAL . . . . . . . . . . . . . 75.1 t -62.22 -44.31 98.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.187 177.064 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 605' ' ' THR . . . . . . . . . . . . . 97.0 m -54.79 -47.23 74.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.197 174.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 606' ' ' SER . . . . . . . . . . . . . 74.1 m -59.5 -42.2 91.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.204 178.649 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 65.9 mtt -57.99 -42.37 84.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.211 175.16 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 608' ' ' LEU . . . . . . . . . . . . . 91.7 mt -62.91 -41.64 99.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.253 -179.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 609' ' ' THR . . . . . . . . . . . . . 66.9 p -73.82 -22.24 59.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.197 -178.18 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 610' ' ' LYS . . . . . . . . . . . . . 65.4 mttm -99.65 3.35 45.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.261 174.048 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 611' ' ' LEU . . . . . . . . . . . . . 25.8 tp -70.09 127.19 31.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.221 -174.151 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 612' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -100.81 124.14 46.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.205 -179.501 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 613' ' ' PHE . . . . . . . . . . . . . 18.4 t80 -90.33 120.39 31.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.208 179.46 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -121.3 131.55 54.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.249 -176.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 615' ' ' VAL . . . . . . . . . . . . . 97.0 t -102.44 141.39 18.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.193 177.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 616' ' ' PHE . . . . . 0.494 ' HB2' ' SG ' ' A' ' 679' ' ' CYS . 98.0 m-85 -136.89 146.11 45.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.238 -177.55 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 617' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -111.08 164.72 14.24 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.187 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 618' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_exo -51.72 127.5 23.06 Favored 'Trans proline' 0 N--CA 1.458 -0.583 0 C-N-CA 121.694 1.596 . . . . 0.0 111.212 179.337 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 619' ' ' GLY . . . . . . . . . . . . . . . 98.4 -17.63 58.22 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 175.6 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 620' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -70.34 138.39 51.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.779 0.323 . . . . 0.0 111.207 -177.732 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 621' ' ' TYR . . . . . . . . . . . . . 60.8 m-85 -91.79 139.27 30.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.188 173.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 622' ' ' ILE . . . . . . . . . . . . . 5.2 mp -103.08 -45.67 10.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.181 178.686 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 623' ' ' ILE . . . . . . . . . . . . . 93.7 mt -135.93 137.22 49.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.176 172.459 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 96.7 mtt-85 -110.05 149.05 30.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.202 -178.102 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 625' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -70.43 133.29 46.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.156 178.207 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 626' ' ' GLY . . . . . . . . . . . . . . . 96.82 6.03 58.33 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.169 -0.773 . . . . 0.0 111.169 178.218 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 627' ' ' THR . . . . . . . . . . . . . 44.7 p -107.73 152.48 24.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.794 0.33 . . . . 0.0 111.197 176.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 628' ' ' ILE . . . . . . . . . . . . . 46.8 mm -63.29 118.23 5.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.237 -177.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 629' ' ' GLY . . . . . . . . . . . . . . . -93.21 137.87 13.83 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 179.709 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 630' ' ' LYS . . . . . . . . . . . . . 64.1 pttt -171.47 26.77 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.82 0.343 . . . . 0.0 111.21 -179.607 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 631' ' ' LYS . . . . . . . . . . . . . 57.5 pttt -148.99 160.16 43.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.215 -176.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 632' ' ' MET . . . . . . . . . . . . . 38.7 ttm -136.74 144.75 43.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.218 179.186 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 633' ' ' TYR . . . . . . . . . . . . . 81.4 m-85 -118.97 129.45 55.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.194 -176.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 634' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -104.0 134.56 47.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.254 172.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 635' ' ' ILE . . . . . . . . . . . . . 75.4 mt -89.94 110.01 21.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.233 -169.268 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 67.8 tp60 -69.5 -49.9 50.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.194 172.658 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 637' ' ' HIS . . . . . . . . . . . . . 30.4 p80 -162.36 161.74 27.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.225 176.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 638' ' ' GLY . . . . . . . . . . . . . . . 100.67 175.07 29.6 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 111.237 -0.745 . . . . 0.0 111.237 178.615 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 639' ' ' VAL . . . . . . . . . . . . . 92.1 t -119.34 129.25 75.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.825 0.345 . . . . 0.0 111.2 -176.298 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 640' ' ' VAL . . . . . . . . . . . . . 34.3 m -122.94 159.86 26.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.228 176.286 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 641' ' ' SER . . . . . . . . . . . . . 41.3 t -122.6 123.93 42.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.203 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 642' ' ' VAL . . . . . . . . . . . . . 70.4 t -107.34 126.77 63.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.184 179.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 643' ' ' LEU . . . . . . . . . . . . . 67.2 tp -120.81 119.63 33.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.198 179.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 644' ' ' THR . . . . . . . . . . . . . 96.4 m -107.32 139.14 42.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.199 -177.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -54.55 118.95 4.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.21 -175.406 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 646' ' ' GLY . . . . . . . . . . . . . . . 74.78 15.62 80.71 Favored Glycine 0 CA--C 1.523 0.537 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 172.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 647' ' ' ASN . . . . . . . . . . . . . 61.0 m-80 -131.63 158.13 41.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.807 0.337 . . . . 0.0 111.225 -177.515 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 648' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -64.76 137.89 58.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.228 -178.226 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 649' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -68.95 138.9 54.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.19 178.201 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 650' ' ' THR . . . . . . . . . . . . . 94.2 m -130.85 137.29 49.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.204 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 651' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -108.18 147.73 30.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.185 -177.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 81.1 mt -131.38 155.66 46.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.224 -176.522 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -139.33 -167.89 2.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.235 -174.259 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 654' ' ' ASP . . . . . . . . . . . . . 64.5 t0 -51.9 124.14 11.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.193 -178.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 655' ' ' GLY . . . . . . . . . . . . . . . 102.24 -9.96 56.42 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.201 -0.759 . . . . 0.0 111.201 175.171 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 656' ' ' SER . . . . . . . . . . . . . 69.2 m -98.09 179.96 4.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.778 0.323 . . . . 0.0 111.223 176.373 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 657' ' ' TYR . . . . . . . . . . . . . 47.2 p90 -157.56 164.14 37.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.188 178.013 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 658' ' ' PHE . . . . . 0.457 ' CE1' HG11 ' A' ' 673' ' ' VAL . 52.8 p90 -146.89 161.08 41.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.202 179.581 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 659' ' ' GLY . . . . . 0.434 ' O ' ' HB3' ' A' ' 662' ' ' CYS . . . 120.61 7.75 8.71 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 -176.486 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 660' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -61.0 -46.5 90.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.828 0.347 . . . . 0.0 111.21 175.204 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 661' ' ' ILE . . . . . 0.428 HG22 ' HG3' ' A' ' 669' ' ' ARG . 97.0 mt -68.59 -35.77 71.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.241 174.22 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 662' ' ' CYS . . . . . 0.434 ' HB3' ' O ' ' A' ' 659' ' ' GLY . 36.5 t -57.73 -46.22 84.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.217 178.557 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 663' ' ' LEU . . . . . . . . . . . . . 94.3 mt -74.67 -39.59 61.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.197 178.255 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 67.3 tp -54.58 -48.09 72.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.197 179.417 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 665' ' ' THR . . . . . . . . . . . . . 93.2 m -91.17 107.63 19.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.197 178.422 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 666' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -71.38 -22.63 61.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.211 -175.624 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . -91.22 -136.98 7.14 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 176.519 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 90.0 mtm180 -79.64 127.31 32.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.815 0.341 . . . . 0.0 111.196 -178.22 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 669' ' ' ARG . . . . . 0.428 ' HG3' HG22 ' A' ' 661' ' ' ILE . 76.6 ttt180 -71.96 142.56 49.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.186 -178.02 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 670' ' ' THR . . . . . . . . . . . . . 40.5 p -98.82 39.77 1.24 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.19 178.14 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 671' ' ' ALA . . . . . . . . . . . . . . . -158.54 161.44 37.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.169 -179.012 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 672' ' ' SER . . . . . . . . . . . . . 92.1 p -137.65 165.5 26.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.166 178.131 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 673' ' ' VAL . . . . . 0.457 HG11 ' CE1' ' A' ' 658' ' ' PHE . 4.4 p -151.47 138.79 13.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.211 -179.561 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 674' ' ' ARG . . . . . . . . . . . . . 38.1 ptt180 -141.9 158.54 43.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.19 179.673 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 675' ' ' ALA . . . . . . . . . . . . . . . -84.82 130.8 34.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.196 -175.349 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 676' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -90.61 -33.12 15.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.221 174.319 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 44.2 p -133.14 165.3 25.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.215 172.133 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 678' ' ' TYR . . . . . . . . . . . . . 87.7 t80 -53.06 123.77 12.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.202 177.355 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 679' ' ' CYS . . . . . 0.494 ' SG ' ' HB2' ' A' ' 616' ' ' PHE . 31.8 p -143.93 164.37 30.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.17 -170.592 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 680' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -140.15 133.22 29.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.203 177.328 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 681' ' ' LEU . . . . . . . . . . . . . 59.9 mt -123.58 155.56 37.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.229 -167.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 682' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -106.65 125.39 50.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.214 171.159 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 683' ' ' SER . . . . . . . . . . . . . 42.1 t -107.3 121.59 44.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.215 -169.594 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 684' ' ' LEU . . . . . . . . . . . . . 95.6 mt -115.55 149.79 37.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.222 165.459 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 78.1 p -127.25 160.29 31.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.21 -177.678 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 686' ' ' VAL . . . . . . . . . . . . . 57.6 t -66.33 -36.53 77.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.186 173.578 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 687' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -55.42 -38.88 69.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.211 174.393 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 688' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 -67.95 -38.12 82.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.186 173.528 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 689' ' ' PHE . . . . . . . . . . . . . 20.0 m-30 -69.19 -23.07 63.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.21 -178.382 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 690' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -69.29 -15.08 63.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.183 173.341 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 691' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -103.64 -29.69 10.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.184 173.578 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 692' ' ' VAL . . . . . . . . . . . . . 93.4 t -86.48 -69.73 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.191 179.638 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 693' ' ' LEU . . . . . . . . . . . . . 95.3 mt -77.29 -21.09 54.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.196 -168.659 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 694' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -96.08 20.39 10.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.201 172.612 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 695' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -72.65 -40.03 66.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.197 175.262 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 696' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -122.34 139.49 30.83 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.211 -179.572 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 697' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_exo -53.48 -33.6 68.28 Favored 'Trans proline' 0 N--CA 1.458 -0.581 0 C-N-CA 121.638 1.559 . . . . 0.0 111.197 178.487 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 698' ' ' MET . . . . . . . . . . . . . 99.8 mmm -59.96 -31.46 69.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.197 -177.621 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 699' ' ' MET . . . . . . . . . . . . . 63.2 tpp -99.97 -20.03 16.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.193 -179.558 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 700' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.187 171.99 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 586' ' ' CYS . . . . . . . . . . . . . 38.3 t . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.779 0.323 . . . . 0.0 111.209 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 587' ' ' ARG . . . . . . . . . . . . . 62.8 ttm-85 -51.62 -46.93 63.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.173 176.247 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 588' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -62.13 -41.76 98.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.204 177.554 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 95.9 mt -61.24 -36.76 80.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.196 -178.701 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 590' ' ' VAL . . . . . . . . . . . . . 79.3 t -67.97 -48.65 73.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.218 174.589 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 591' ' ' ALA . . . . . . . . . . . . . . . -60.06 -28.17 67.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.168 178.477 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 72.4 m -68.99 -25.56 64.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.194 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 593' ' ' MET . . . . . . . . . . . . . 55.1 ttm -67.68 120.08 70.77 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.219 178.541 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_exo -48.15 -44.01 29.61 Favored 'Trans proline' 0 N--CA 1.458 -0.611 0 C-N-CA 121.715 1.61 . . . . 0.0 111.205 177.443 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 595' ' ' LEU . . . . . . . . . . . . . 52.6 tp -52.97 -39.79 63.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.208 -178.205 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 596' ' ' PHE . . . . . . . . . . . . . 44.6 m-85 -117.92 26.89 9.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.226 -176.744 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 597' ' ' ALA . . . . . . . . . . . . . . . -61.07 -34.26 74.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.225 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 598' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -110.24 20.13 18.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.183 -178.487 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 599' ' ' ALA . . . . . . . . . . . . . . . -68.38 150.87 47.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.183 -177.386 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 600' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -64.54 135.0 96.18 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.241 178.204 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 601' ' ' PRO . . . . . . . . . . . . . 78.7 Cg_exo -50.54 -37.5 52.5 Favored 'Trans proline' 0 N--CA 1.458 -0.574 0 C-N-CA 121.706 1.604 . . . . 0.0 111.193 -179.204 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 602' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -73.19 -40.59 64.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.173 -179.034 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 603' ' ' PHE . . . . . . . . . . . . . 84.0 t80 -55.85 -45.9 78.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.206 173.658 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 604' ' ' VAL . . . . . . . . . . . . . 61.6 t -59.22 -49.98 81.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.202 177.536 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 605' ' ' THR . . . . . . . . . . . . . 99.5 m -49.93 -43.31 49.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.199 177.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 606' ' ' SER . . . . . . . . . . . . . 74.1 m -65.97 -47.35 74.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.2 178.144 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 91.2 mmm -57.7 -34.21 69.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.224 -178.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 608' ' ' LEU . . . . . . . . . . . . . 83.3 mt -60.75 -27.75 68.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.225 -177.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 609' ' ' THR . . . . . . . . . . . . . 69.1 p -88.93 -4.99 58.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.165 -179.539 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 610' ' ' LYS . . . . . 0.435 ' HB3' ' HB3' ' A' ' 688' ' ' ASN . 75.3 mmtt -106.73 -25.32 11.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.166 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 611' ' ' LEU . . . . . . . . . . . . . 89.8 mt -63.43 146.54 53.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.203 176.39 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 612' ' ' ARG . . . . . . . . . . . . . 91.3 mmt-85 -132.78 127.1 33.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.176 175.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 613' ' ' PHE . . . . . . . . . . . . . 80.2 t80 -84.0 136.57 34.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.189 -171.516 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -147.79 130.51 16.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.151 -178.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 615' ' ' VAL . . . . . 0.569 HG22 ' HG2' ' A' ' 680' ' ' ARG . 90.1 t -97.1 143.75 11.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.192 179.356 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 616' ' ' PHE . . . . . 0.616 ' HB2' ' SG ' ' A' ' 679' ' ' CYS . 87.2 m-85 -126.26 146.25 50.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.213 -177.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 617' ' ' GLN . . . . . . . . . . . . . 96.8 mm-40 -101.38 164.09 16.64 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.189 -175.392 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 618' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -52.46 121.75 9.59 Favored 'Trans proline' 0 N--CA 1.458 -0.569 0 C-N-CA 121.753 1.635 . . . . 0.0 111.172 175.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 619' ' ' GLY . . . . . . . . . . . . . . . 92.5 -11.34 72.33 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 176.001 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 620' ' ' ASP . . . . . . . . . . . . . 54.8 t0 -70.32 130.16 41.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.817 0.342 . . . . 0.0 111.147 -178.288 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 621' ' ' TYR . . . . . 0.476 ' CZ ' ' HD3' ' A' ' 674' ' ' ARG . 73.2 m-85 -82.18 142.5 32.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.201 179.31 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 622' ' ' ILE . . . . . . . . . . . . . 4.0 mp -109.47 -40.27 4.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.217 178.252 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 623' ' ' ILE . . . . . . . . . . . . . 83.4 mt -131.33 133.21 62.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.174 177.117 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -101.78 135.28 43.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.232 179.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 625' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -67.04 129.88 41.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.189 -179.638 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 626' ' ' GLY . . . . . . . . . . . . . . . 74.96 16.04 80.74 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.194 -0.763 . . . . 0.0 111.194 175.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 627' ' ' THR . . . . . . . . . . . . . 98.1 m -109.04 128.8 55.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.856 0.36 . . . . 0.0 111.171 178.52 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 628' ' ' ILE . . . . . . . . . . . . . 18.9 tt -64.95 147.62 12.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.202 -176.091 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 629' ' ' GLY . . . . . . . . . . . . . . . 141.87 108.63 0.71 Allowed Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.245 -0.742 . . . . 0.0 111.245 179.761 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 630' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -93.96 79.96 4.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.823 0.344 . . . . 0.0 111.223 -178.413 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 631' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -129.2 138.51 51.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.22 175.578 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 632' ' ' MET . . . . . . . . . . . . . 26.9 ptm -110.06 165.97 11.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.206 172.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 633' ' ' TYR . . . . . . . . . . . . . 83.9 m-85 -139.49 136.91 35.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.164 -175.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 634' ' ' PHE . . . . . . . . . . . . . 91.4 t80 -101.99 134.82 44.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.209 170.178 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 635' ' ' ILE . . . . . . . . . . . . . 68.1 mt -88.31 98.66 7.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.233 -177.637 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 23.5 tm0? -70.46 -35.21 73.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.181 179.128 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 637' ' ' HIS . . . . . . . . . . . . . 77.8 t60 -169.84 140.14 2.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.14 175.529 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 638' ' ' GLY . . . . . . . . . . . . . . . 123.72 -153.72 17.37 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.206 -0.758 . . . . 0.0 111.206 178.538 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 639' ' ' VAL . . . . . . . . . . . . . 7.1 p -158.07 130.86 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.856 0.36 . . . . 0.0 111.204 -179.135 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 640' ' ' VAL . . . . . . . . . . . . . 28.6 m -124.91 160.04 30.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.154 178.629 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 641' ' ' SER . . . . . . . . . . . . . 53.4 m -110.06 127.39 54.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.246 174.528 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 642' ' ' VAL . . . . . . . . . . . . . 61.8 t -109.61 111.25 35.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.2 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 643' ' ' LEU . . . . . . . . . . . . . 65.6 tp -103.51 120.1 40.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.183 -178.331 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 644' ' ' THR . . . . . . . . . . . . . 93.3 m -108.14 137.36 46.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.198 -177.618 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 89.3 tttt -56.15 120.85 8.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.21 -176.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 646' ' ' GLY . . . . . . . . . . . . . . . 74.43 15.09 80.48 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 172.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 647' ' ' ASN . . . . . . . . . . . . . 65.0 m-80 -134.77 157.75 45.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.835 0.35 . . . . 0.0 111.179 -178.145 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 648' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -65.12 137.46 57.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.198 179.241 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 649' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -65.05 137.01 57.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.229 179.046 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 650' ' ' THR . . . . . . . . . . . . . 96.8 m -120.05 133.56 55.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.2 179.598 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 651' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -100.75 137.07 39.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.231 -177.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 78.6 mt -124.68 147.48 48.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.213 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -133.46 177.77 7.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.174 -172.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 654' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -38.42 120.04 0.87 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.167 176.292 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 655' ' ' GLY . . . . . . . . . . . . . . . 109.64 -13.41 32.65 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.206 -0.757 . . . . 0.0 111.206 175.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 656' ' ' SER . . . . . . . . . . . . . 69.4 m -99.83 177.83 5.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.776 0.322 . . . . 0.0 111.207 -179.274 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 657' ' ' TYR . . . . . . . . . . . . . 25.9 p90 -152.78 167.96 27.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.23 179.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 658' ' ' PHE . . . . . . . . . . . . . 46.5 p90 -156.74 168.36 27.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.24 178.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 659' ' ' GLY . . . . . 0.502 ' O ' ' HB3' ' A' ' 662' ' ' CYS . . . 98.6 -2.4 58.82 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 -178.243 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 660' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -55.23 -50.08 70.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.833 0.349 . . . . 0.0 111.202 176.226 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 661' ' ' ILE . . . . . 0.414 ' HB ' ' CZ ' ' A' ' 669' ' ' ARG . 91.6 mt -63.25 -38.2 81.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.276 178.035 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 662' ' ' CYS . . . . . 0.502 ' HB3' ' O ' ' A' ' 659' ' ' GLY . 49.8 t -56.61 -44.13 80.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.215 178.135 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 663' ' ' LEU . . . . . . . . . . . . . 6.0 mp -68.38 -39.39 81.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.183 178.334 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 87.6 mt -67.98 -36.41 79.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.182 -178.176 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 665' ' ' THR . . . . . . . . . . . . . 55.5 p -100.66 -165.21 1.19 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.216 -176.055 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 666' ' ' ARG . . . . . . . . . . . . . 37.3 ptt180 -63.53 163.84 10.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.184 172.194 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . -65.09 -33.84 88.17 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 -178.64 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 75.3 mtp180 -83.09 70.0 9.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.784 0.326 . . . . 0.0 111.203 -178.253 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 669' ' ' ARG . . . . . 0.414 ' CZ ' ' HB ' ' A' ' 661' ' ' ILE . 79.5 ttt180 -67.01 140.21 57.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.218 179.332 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 670' ' ' THR . . . . . . . . . . . . . 37.4 p -83.35 58.36 4.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.192 178.787 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 671' ' ' ALA . . . . . . . . . . . . . . . -162.28 154.78 19.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.196 -179.701 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 672' ' ' SER . . . . . . . . . . . . . 94.9 p -131.31 155.79 46.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.184 179.509 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 673' ' ' VAL . . . . . . . . . . . . . 52.7 t -134.86 131.12 53.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.226 -178.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 674' ' ' ARG . . . . . 0.476 ' HD3' ' CZ ' ' A' ' 621' ' ' TYR . 56.4 ttp180 -133.21 133.68 43.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.208 -179.015 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 675' ' ' ALA . . . . . . . . . . . . . . . -73.39 132.79 43.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.176 179.153 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 676' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -87.07 -17.37 33.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.156 -178.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 13.7 t -160.8 -171.93 3.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.175 176.117 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 678' ' ' TYR . . . . . . . . . . . . . 91.3 t80 -57.67 118.97 5.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.233 173.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 679' ' ' CYS . . . . . 0.616 ' SG ' ' HB2' ' A' ' 616' ' ' PHE . 31.4 p -144.61 162.0 37.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.192 -175.486 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 680' ' ' ARG . . . . . 0.569 ' HG2' HG22 ' A' ' 615' ' ' VAL . 99.2 mtt180 -130.77 116.86 18.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.197 -175.477 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 681' ' ' LEU . . . . . . . . . . . . . 58.7 mt -114.27 154.32 28.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.18 -173.693 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 682' ' ' TYR . . . . . . . . . . . . . 55.8 m-85 -107.18 120.09 41.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.213 167.059 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 683' ' ' SER . . . . . . . . . . . . . 37.8 t -86.7 138.06 31.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.201 -176.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 684' ' ' LEU . . . . . 0.412 ' C ' HD13 ' A' ' 684' ' ' LEU . 3.0 tm? -143.86 110.04 5.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.192 177.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 76.5 p -81.48 154.38 26.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.202 -178.025 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 686' ' ' VAL . . . . . . . . . . . . . 6.4 p -60.22 -30.67 46.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.205 175.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 687' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -66.35 -43.38 86.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.195 175.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 688' ' ' ASN . . . . . 0.435 ' HB3' ' HB3' ' A' ' 610' ' ' LYS . 91.8 m-20 -62.53 -39.97 95.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.191 176.122 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 689' ' ' PHE . . . . . . . . . . . . . 89.3 t80 -60.37 -47.2 87.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.184 175.233 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 690' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -66.97 -34.34 77.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.199 -178.345 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 691' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -54.69 -46.61 74.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.221 178.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 692' ' ' VAL . . . . . . . . . . . . . 79.3 t -59.92 -40.09 81.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.22 177.528 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 693' ' ' LEU . . . . . . . . . . . . . 89.3 mt -64.79 -38.32 90.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.26 -179.73 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 694' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -69.89 -40.12 75.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.175 177.237 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 695' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -64.81 -42.07 95.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.172 -177.313 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 696' ' ' TYR . . . . . . . . . . . . . 88.9 m-85 -119.9 98.59 49.39 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.186 -177.773 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 697' ' ' PRO . . . . . . . . . . . . . 75.7 Cg_exo -54.54 -32.19 73.02 Favored 'Trans proline' 0 N--CA 1.458 -0.589 0 C-N-CA 121.684 1.589 . . . . 0.0 111.228 178.738 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 698' ' ' MET . . . . . . . . . . . . . 99.9 mmm -62.8 -32.37 73.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.174 -178.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 699' ' ' MET . . . . . . . . . . . . . 36.9 mmt -96.32 -19.58 19.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.206 179.335 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 700' ' ' ARG . . . . . . . . . . . . . 37.1 ttm180 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.204 179.476 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 586' ' ' CYS . . . . . . . . . . . . . 79.0 m . . . . . 0 CA--C 1.523 -0.076 0 CA-C-O 120.834 0.349 . . . . 0.0 111.233 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 587' ' ' ARG . . . . . . . . . . . . . 71.5 ttp85 -60.25 -40.49 90.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.207 176.138 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 588' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -65.45 -35.71 81.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.206 178.676 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 75.9 mt -64.59 -51.76 61.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.21 176.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 590' ' ' VAL . . . . . . . . . . . . . 66.0 t -58.62 -42.58 85.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.18 178.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 591' ' ' ALA . . . . . . . . . . . . . . . -69.79 -15.01 63.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.234 -175.071 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 75.6 m -61.06 -38.1 85.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.218 -179.296 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 593' ' ' MET . . . . . . . . . . . . . 10.9 tpt -68.2 121.27 79.6 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.199 175.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_exo -51.01 -41.47 56.46 Favored 'Trans proline' 0 N--CA 1.458 -0.563 0 C-N-CA 121.698 1.598 . . . . 0.0 111.176 -178.137 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 595' ' ' LEU . . . . . . . . . . . . . 5.9 mp -64.81 -28.3 69.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.183 -177.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 596' ' ' PHE . . . . . . . . . . . . . 14.8 m-30 -88.99 -25.91 21.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.195 179.642 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 597' ' ' ALA . . . . . . . . . . . . . . . -68.21 -36.08 78.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.147 173.066 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 598' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -71.41 -24.18 62.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.227 175.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 599' ' ' ALA . . . . . . . . . . . . . . . -70.05 155.13 41.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.217 177.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 600' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -57.67 147.52 61.08 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.176 -179.174 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 601' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_exo -51.99 -36.21 63.92 Favored 'Trans proline' 0 N--CA 1.458 -0.611 0 C-N-CA 121.709 1.606 . . . . 0.0 111.226 175.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 602' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -70.22 -38.32 75.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.141 178.301 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 603' ' ' PHE . . . . . . . . . . . . . 12.8 m-30 -60.74 -40.73 93.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.19 174.467 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 604' ' ' VAL . . . . . . . . . . . . . 67.5 t -60.42 -49.61 83.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.172 177.02 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 605' ' ' THR . . . . . . . . . . . . . 96.8 m -55.02 -46.62 75.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.196 175.576 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 606' ' ' SER . . . . . . . . . . . . . 72.9 m -60.04 -46.11 90.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.201 -179.079 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 68.9 mtm -60.02 -40.18 88.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.206 177.476 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 608' ' ' LEU . . . . . 0.795 HD23 ' O ' ' A' ' 608' ' ' LEU . 3.3 tt -53.66 -40.26 65.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.247 178.509 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 609' ' ' THR . . . . . . . . . . . . . 69.2 p -84.72 -8.63 58.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.185 -174.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 610' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -99.49 5.01 46.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.164 176.158 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 611' ' ' LEU . . . . . . . . . . . . . 92.8 mt -66.29 148.16 52.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.177 176.626 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 612' ' ' ARG . . . . . . . . . . . . . 74.3 ttt180 -113.03 123.7 50.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.168 171.131 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 613' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -80.08 106.31 12.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.163 -174.712 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -115.12 115.63 27.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.184 -175.568 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 615' ' ' VAL . . . . . . . . . . . . . 94.2 t -96.19 140.82 16.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.236 178.725 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 616' ' ' PHE . . . . . . . . . . . . . 99.4 m-85 -130.61 143.79 50.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.122 -175.345 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 617' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -100.81 161.83 22.59 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.23 178.101 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 618' ' ' PRO . . . . . . . . . . . . . 79.4 Cg_exo -52.32 121.57 9.2 Favored 'Trans proline' 0 N--CA 1.458 -0.613 0 C-N-CA 121.72 1.613 . . . . 0.0 111.21 175.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 619' ' ' GLY . . . . . . . . . . . . . . . 96.81 -16.54 60.81 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.176 -0.77 . . . . 0.0 111.176 178.014 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 620' ' ' ASP . . . . . . . . . . . . . 59.3 t0 -70.16 129.32 39.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.843 0.354 . . . . 0.0 111.214 -179.399 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 621' ' ' TYR . . . . . 0.414 ' CZ ' ' HD3' ' A' ' 674' ' ' ARG . 57.6 m-85 -82.8 138.08 34.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.204 -177.199 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 622' ' ' ILE . . . . . . . . . . . . . 75.3 mt -101.72 -44.89 10.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.233 177.523 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 623' ' ' ILE . . . . . . . . . . . . . 70.4 mt -129.96 139.14 52.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.18 177.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 34.6 mmt180 -105.75 140.71 38.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.222 176.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 625' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -71.64 134.77 46.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.233 178.023 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 626' ' ' GLY . . . . . . . . . . . . . . . 88.69 12.97 63.61 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.234 -0.746 . . . . 0.0 111.234 176.059 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 627' ' ' THR . . . . . . . . . . . . . 47.2 p -117.38 165.27 13.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.83 0.348 . . . . 0.0 111.17 179.099 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 628' ' ' ILE . . . . . 0.407 ' HA ' ' HA ' ' A' ' 668' ' ' ARG . 97.1 mt -66.61 129.49 31.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.165 -178.616 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 629' ' ' GLY . . . . . . . . . . . . . . . -127.55 107.97 0.92 Allowed Glycine 0 CA--C 1.523 0.559 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 179.647 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 630' ' ' LYS . . . . . . . . . . . . . 23.1 pttp -141.33 33.1 1.69 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.8 0.333 . . . . 0.0 111.237 -178.721 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 631' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -129.99 137.96 50.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.192 175.661 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 632' ' ' MET . . . . . . . . . . . . . 90.1 mmm -78.45 145.19 35.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.207 167.311 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 633' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -128.25 125.74 39.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.189 175.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 634' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -117.74 134.14 55.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.184 178.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 635' ' ' ILE . . . . . . . . . . . . . 66.1 mt -98.94 113.54 34.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.149 -172.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 -89.94 -40.06 12.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.209 177.06 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 637' ' ' HIS . . . . . . . . . . . . . 99.5 m-70 -141.53 151.15 43.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.224 174.385 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 638' ' ' GLY . . . . . . . . . . . . . . . 99.08 175.55 31.81 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 168.257 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 639' ' ' VAL . . . . . . . . . . . . . 89.7 t -123.21 136.56 59.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.774 0.321 . . . . 0.0 111.197 -178.052 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 640' ' ' VAL . . . . . . . . . . . . . 25.1 m -127.73 159.94 37.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.196 177.182 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 641' ' ' SER . . . . . . . . . . . . . 48.4 m -113.75 127.63 56.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.216 173.614 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 642' ' ' VAL . . . . . . . . . . . . . 86.3 t -109.88 111.59 36.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.21 179.488 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 643' ' ' LEU . . . . . . . . . . . . . 64.9 tp -107.81 120.06 41.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.207 -177.197 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 644' ' ' THR . . . . . . . . . . . . . 93.9 m -109.7 138.15 46.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.15 -178.525 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -54.11 119.79 5.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.2 -175.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 646' ' ' GLY . . . . . . . . . . . . . . . 74.51 15.19 80.54 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.196 -0.761 . . . . 0.0 111.196 172.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 647' ' ' ASN . . . . . . . . . . . . . 65.1 m-80 -133.01 157.27 45.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.838 0.351 . . . . 0.0 111.203 -177.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 648' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -65.07 136.86 57.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.209 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 649' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -65.23 137.4 57.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.18 178.434 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 650' ' ' THR . . . . . . . . . . . . . 98.3 m -109.76 130.45 55.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.18 -179.392 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 651' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -95.57 124.38 39.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.164 179.515 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 88.4 mt -122.6 148.88 44.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.219 -177.532 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -142.88 -169.55 3.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.204 -174.29 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 654' ' ' ASP . . . . . . . . . . . . . 64.2 t0 -44.83 120.93 2.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.238 176.046 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 655' ' ' GLY . . . . . . . . . . . . . . . 99.57 -4.95 58.32 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 176.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 656' ' ' SER . . . . . . . . . . . . . 48.1 m -96.03 174.37 6.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.794 0.33 . . . . 0.0 111.201 179.316 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 657' ' ' TYR . . . . . . . . . . . . . 34.3 p90 -158.9 168.55 26.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.196 178.192 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 658' ' ' PHE . . . . . . . . . . . . . 41.7 p90 -159.6 163.19 35.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.142 177.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 659' ' ' GLY . . . . . 0.555 ' O ' ' HB2' ' A' ' 662' ' ' CYS . . . 111.77 17.56 8.45 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.147 -0.781 . . . . 0.0 111.147 -176.798 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 660' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -55.94 -35.96 67.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.809 0.338 . . . . 0.0 111.235 -178.053 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 661' ' ' ILE . . . . . 0.429 HD12 HH21 ' A' ' 669' ' ' ARG . 94.5 mt -69.28 -28.42 38.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.228 179.042 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 662' ' ' CYS . . . . . 0.555 ' HB2' ' O ' ' A' ' 659' ' ' GLY . 91.5 m -64.61 -23.68 67.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.194 -173.725 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 663' ' ' LEU . . . . . . . . . . . . . 96.4 mt -81.68 -18.98 42.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.249 178.187 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 85.2 mt -107.5 -19.03 13.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.238 -174.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 665' ' ' THR . . . . . . . . . . . . . 89.8 m -129.44 129.98 45.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.187 -178.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 666' ' ' ARG . . . . . . . . . . . . . 69.1 ttt180 -109.93 50.05 0.81 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.188 -178.609 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . -152.21 -153.26 6.2 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 -177.433 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 668' ' ' ARG . . . . . 0.407 ' HA ' ' HA ' ' A' ' 628' ' ' ILE . 96.8 mtt-85 -79.41 144.56 34.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.746 0.308 . . . . 0.0 111.211 -177.539 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 669' ' ' ARG . . . . . 0.429 HH21 HD12 ' A' ' 661' ' ' ILE . 31.9 mtp-105 -120.01 155.53 32.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.168 -178.722 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 670' ' ' THR . . . . . . . . . . . . . 45.1 p -104.9 55.13 0.71 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.22 -177.25 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 671' ' ' ALA . . . . . . . . . . . . . . . -154.97 154.37 32.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.18 178.413 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 672' ' ' SER . . . . . . . . . . . . . 96.2 p -132.81 155.11 49.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.205 179.207 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 673' ' ' VAL . . . . . . . . . . . . . 61.3 t -135.72 132.37 51.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.203 -179.42 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 674' ' ' ARG . . . . . 0.414 ' HD3' ' CZ ' ' A' ' 621' ' ' TYR . 57.1 ttp180 -132.29 135.0 45.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.204 -178.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 675' ' ' ALA . . . . . . . . . . . . . . . -76.39 140.29 41.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.228 -179.204 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 676' ' ' ASP . . . . . . . . . . . . . 64.6 m-20 -102.44 -32.92 9.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.159 -178.606 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 677' ' ' THR . . . . . 0.469 ' O ' ' SG ' ' A' ' 679' ' ' CYS . 33.6 p -125.76 -179.18 4.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.243 179.772 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 678' ' ' TYR . . . . . . . . . . . . . 74.5 t80 -60.16 100.08 0.09 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.236 167.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 679' ' ' CYS . . . . . 0.469 ' SG ' ' O ' ' A' ' 677' ' ' THR . 72.0 m -110.21 145.05 37.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.204 -168.037 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 680' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -122.87 107.25 11.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.166 175.605 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 681' ' ' LEU . . . . . . . . . . . . . 6.1 mp -117.88 159.98 22.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.164 -172.537 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 682' ' ' TYR . . . . . . . . . . . . . 87.5 m-85 -125.03 124.41 41.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.243 173.491 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 683' ' ' SER . . . . . . . . . . . . . 96.7 p -98.04 151.72 20.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.218 -178.105 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 684' ' ' LEU . . . . . . . . . . . . . 50.5 tp -148.87 106.52 3.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.2 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 82.6 p -70.31 156.62 39.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.208 -175.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 686' ' ' VAL . . . . . . . . . . . . . 29.1 m -62.9 -26.44 40.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.246 172.652 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 687' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -64.73 -44.26 90.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.171 175.223 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 688' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -63.16 -43.62 97.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.196 176.237 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 689' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -58.41 -43.33 88.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.174 176.041 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 690' ' ' ASN . . . . . . . . . . . . . 99.8 m-20 -60.21 -43.01 96.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.197 178.46 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 691' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -59.25 -41.06 87.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.188 177.668 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 692' ' ' VAL . . . . . . . . . . . . . 53.1 t -64.91 -44.51 96.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.196 177.508 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 693' ' ' LEU . . . . . . . . . . . . . 95.4 mt -64.68 -32.3 73.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.218 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 694' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -86.87 9.1 20.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.184 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 695' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -69.85 -43.94 70.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.204 176.122 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 696' ' ' TYR . . . . . . . . . . . . . 19.9 m-30 -100.13 124.71 42.37 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.19 178.03 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 697' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_exo -54.33 -37.1 88.7 Favored 'Trans proline' 0 N--CA 1.458 -0.596 0 C-N-CA 121.745 1.63 . . . . 0.0 111.175 178.53 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 698' ' ' MET . . . . . . . . . . . . . 99.7 mmm -65.34 -28.49 69.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.209 -176.168 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 699' ' ' MET . . . . . . . . . . . . . 98.4 mmm -118.52 18.57 13.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.198 -178.308 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 700' ' ' ARG . . . . . . . . . . . . . 63.6 ttm-85 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.151 -169.275 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 586' ' ' CYS . . . . . . . . . . . . . 91.1 m . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.788 0.328 . . . . 0.0 111.218 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 587' ' ' ARG . . . . . 0.462 ' HB3' HD11 ' A' ' 608' ' ' LEU . 34.4 ptt-85 -60.24 -25.9 66.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.235 176.573 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 588' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -65.97 -34.67 78.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.232 175.256 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 91.7 mt -72.81 -47.44 46.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.226 177.429 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 590' ' ' VAL . . . . . . . . . . . . . 66.9 t -55.95 -46.29 80.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.175 177.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 591' ' ' ALA . . . . . . . . . . . . . . . -79.49 0.62 28.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.215 -173.001 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 73.7 m -65.17 -32.0 73.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.166 175.295 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 593' ' ' MET . . . . . 0.435 ' SD ' ' SD ' ' A' ' 632' ' ' MET . 24.9 ttt -77.72 130.19 74.3 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.196 175.272 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 80.1 Cg_exo -52.85 -43.66 54.48 Favored 'Trans proline' 0 N--CA 1.457 -0.644 0 C-N-CA 121.694 1.596 . . . . 0.0 111.227 179.628 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 595' ' ' LEU . . . . . . . . . . . . . 63.8 tp -59.96 -48.32 82.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.16 178.697 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 596' ' ' PHE . . . . . . . . . . . . . 14.2 m-30 -71.31 -24.17 62.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.175 -176.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 597' ' ' ALA . . . . . . . . . . . . . . . -71.23 -39.62 71.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.236 173.134 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 598' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -70.39 -27.82 64.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.199 174.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 599' ' ' ALA . . . . . . . . . . . . . . . -61.41 145.88 50.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.204 176.706 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 600' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -59.79 149.96 70.07 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.157 -176.618 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 601' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_exo -51.95 -34.47 56.56 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 121.702 1.602 . . . . 0.0 111.219 175.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 602' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -66.28 -36.04 81.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.226 176.439 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 603' ' ' PHE . . . . . . . . . . . . . 17.1 m-30 -70.08 -32.92 71.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.188 178.487 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 604' ' ' VAL . . . . . . . . . . . . . 76.0 t -63.1 -50.07 80.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.212 173.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 605' ' ' THR . . . . . . . . . . . . . 97.9 m -53.34 -47.61 69.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.206 174.68 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 606' ' ' SER . . . . . . . . . . . . . 73.3 m -58.1 -45.32 87.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.204 179.437 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 72.0 mtm -65.05 -32.17 73.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.228 178.642 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 608' ' ' LEU . . . . . 0.462 HD11 ' HB3' ' A' ' 587' ' ' ARG . 73.8 mt -68.14 -33.25 74.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.241 177.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 609' ' ' THR . . . . . . . . . . . . . 81.3 p -81.06 -21.29 40.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.222 176.714 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 610' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -95.31 0.36 53.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.22 172.04 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 611' ' ' LEU . . . . . . . . . . . . . 30.7 tp -68.79 132.19 46.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.213 -176.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 612' ' ' ARG . . . . . . . . . . . . . 90.9 mtt180 -105.98 149.84 26.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.22 173.042 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 613' ' ' PHE . . . . . . . . . . . . . 36.2 t80 -123.98 137.63 54.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.2 177.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 71.7 tt0 -148.74 132.1 16.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.16 -179.556 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 615' ' ' VAL . . . . . 0.478 HG22 ' HG2' ' A' ' 680' ' ' ARG . 95.4 t -96.55 125.0 49.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.198 175.206 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 616' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -101.53 141.42 34.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.171 -178.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 617' ' ' GLN . . . . . . . . . . . . . 87.4 mt-30 -87.4 161.17 46.52 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.225 -177.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 618' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -55.06 121.66 10.3 Favored 'Trans proline' 0 N--CA 1.458 -0.578 0 C-N-CA 121.689 1.592 . . . . 0.0 111.197 176.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 619' ' ' GLY . . . . . . . . . . . . . . . 92.67 -8.38 76.77 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 176.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 620' ' ' ASP . . . . . . . . . . . . . 61.1 t0 -70.23 125.33 26.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.812 0.339 . . . . 0.0 111.152 -179.615 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 621' ' ' TYR . . . . . . . . . . . . . 69.6 m-85 -77.32 135.95 38.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.181 179.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 622' ' ' ILE . . . . . . . . . . . . . 71.1 mt -105.47 -45.41 8.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.192 -178.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 623' ' ' ILE . . . . . . . . . . . . . 67.2 mt -131.56 134.14 60.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.211 178.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -100.74 134.19 44.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.168 175.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 625' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -69.24 138.36 53.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.179 178.07 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 626' ' ' GLY . . . . . . . . . . . . . . . 89.55 16.1 57.41 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.179 -0.768 . . . . 0.0 111.179 176.114 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 627' ' ' THR . . . . . . . . . . . . . 52.8 p -117.99 160.07 22.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.81 0.338 . . . . 0.0 111.168 177.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 628' ' ' ILE . . . . . . . . . . . . . 72.1 mt -99.25 79.87 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.222 -179.653 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 629' ' ' GLY . . . . . . . . . . . . . . . -74.68 154.55 47.24 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 177.614 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 630' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -130.08 16.98 5.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.81 0.338 . . . . 0.0 111.199 178.163 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 631' ' ' LYS . . . . . . . . . . . . . 12.0 mptt -120.04 139.94 51.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.182 -177.487 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 632' ' ' MET . . . . . 0.435 ' SD ' ' SD ' ' A' ' 593' ' ' MET . 27.5 ttt -112.94 138.44 49.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.216 174.366 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 633' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -113.87 139.42 49.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.168 -169.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 634' ' ' PHE . . . . . . . . . . . . . 86.2 m-85 -120.73 136.61 54.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.164 174.045 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 635' ' ' ILE . . . . . . . . . . . . . 71.7 mt -99.18 114.91 38.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.175 -171.765 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 48.0 tt0 -92.8 -41.82 9.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.209 176.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 637' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 -142.85 150.93 40.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.223 174.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 638' ' ' GLY . . . . . . . . . . . . . . . 97.9 177.78 33.52 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 173.215 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 639' ' ' VAL . . . . . . . . . . . . . 97.6 t -128.8 134.98 63.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.825 0.345 . . . . 0.0 111.195 -177.177 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 640' ' ' VAL . . . . . . . . . . . . . 28.3 m -120.17 157.65 22.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.222 174.708 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 641' ' ' SER . . . . . . . . . . . . . 53.6 m -109.92 126.49 53.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.232 175.037 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 642' ' ' VAL . . . . . 0.431 HG22 HG22 ' A' ' 673' ' ' VAL . 59.4 t -110.99 114.34 46.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.197 -179.786 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 643' ' ' LEU . . . . . . . . . . . . . 65.3 tp -105.52 118.57 36.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.168 -179.232 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 644' ' ' THR . . . . . . . . . . . . . 94.8 m -104.5 138.63 40.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.165 -176.253 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 89.1 tttt -56.61 120.1 7.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.22 -176.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 646' ' ' GLY . . . . . . . . . . . . . . . 79.39 7.48 88.45 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.189 -0.765 . . . . 0.0 111.189 173.012 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 647' ' ' ASN . . . . . . . . . . . . . 67.8 m-80 -130.7 159.9 35.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.783 0.325 . . . . 0.0 111.22 -176.31 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 648' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -68.59 148.31 50.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.149 179.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 649' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -69.89 138.85 52.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.212 -179.324 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 650' ' ' THR . . . . . . . . . . . . . 93.7 m -125.58 138.99 53.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.189 177.43 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 651' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -102.63 144.5 30.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.234 -176.419 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 86.7 mt -126.7 148.23 49.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.241 179.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -141.06 -171.07 3.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.186 -172.417 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 654' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -41.76 119.88 1.39 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.177 178.19 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 655' ' ' GLY . . . . . . . . . . . . . . . 100.57 -2.45 55.97 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.179 -0.768 . . . . 0.0 111.179 175.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 656' ' ' SER . . . . . . . . . . . . . 45.6 m -99.4 175.29 5.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.795 0.331 . . . . 0.0 111.226 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 657' ' ' TYR . . . . . . . . . . . . . 50.1 p90 -159.88 162.14 34.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.153 -179.741 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 658' ' ' PHE . . . . . . . . . . . . . 52.9 p90 -159.68 171.89 18.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.178 -178.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 659' ' ' GLY . . . . . 0.438 ' O ' ' HB2' ' A' ' 662' ' ' CYS . . . 88.72 10.36 67.35 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 177.84 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 660' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -56.4 -33.11 65.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.759 0.314 . . . . 0.0 111.22 -179.152 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 661' ' ' ILE . . . . . 0.456 ' HB ' HH11 ' A' ' 669' ' ' ARG . 91.2 mt -57.97 -35.88 53.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.177 179.005 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 662' ' ' CYS . . . . . 0.438 ' HB2' ' O ' ' A' ' 659' ' ' GLY . 99.4 m -59.97 -32.16 70.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.193 -176.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 663' ' ' LEU . . . . . . . . . . . . . 7.5 mp -95.57 -33.42 12.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.235 -177.343 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 97.2 mt -78.98 -31.31 44.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.172 -174.27 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 665' ' ' THR . . . . . . . . . . . . . 29.9 p -118.88 179.94 4.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.195 -175.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 666' ' ' ARG . . . . . . . . . . . . . 89.9 mmt-85 -134.54 53.43 2.0 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.19 -178.677 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . -155.68 -164.77 13.53 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 -176.28 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 90.0 mtm180 -79.31 143.36 35.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.832 0.349 . . . . 0.0 111.197 -177.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 669' ' ' ARG . . . . . 0.456 HH11 ' HB ' ' A' ' 661' ' ' ILE . 56.4 ttt85 -89.95 134.2 34.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.2 176.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 670' ' ' THR . . . . . . . . . . . . . 40.4 p -95.54 42.1 1.09 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.187 -176.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 671' ' ' ALA . . . . . . . . . . . . . . . -158.04 155.44 29.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.238 179.038 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 672' ' ' SER . . . . . . . . . . . . . 94.0 p -126.6 154.66 43.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.22 177.31 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 673' ' ' VAL . . . . . 0.431 HG22 HG22 ' A' ' 642' ' ' VAL . 46.3 t -134.85 131.63 53.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.212 -176.06 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 674' ' ' ARG . . . . . . . . . . . . . 58.6 ttp180 -134.33 137.29 44.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.184 179.185 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 675' ' ' ALA . . . . . . . . . . . . . . . -76.31 134.97 39.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.19 -178.495 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 676' ' ' ASP . . . . . . . . . . . . . 69.4 m-20 -90.92 -20.33 22.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.245 -177.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 14.9 t -151.11 -166.93 2.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.18 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 678' ' ' TYR . . . . . . . . . . . . . 81.5 m-85 -70.05 94.34 0.87 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.205 173.605 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 679' ' ' CYS . . . . . . . . . . . . . 84.7 m -106.15 142.18 36.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.211 -168.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 680' ' ' ARG . . . . . 0.478 ' HG2' HG22 ' A' ' 615' ' ' VAL . 99.9 mtt180 -109.26 102.79 11.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.165 -178.738 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 681' ' ' LEU . . . . . . . . . . . . . 7.2 mp -118.1 150.85 38.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.181 -170.511 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 682' ' ' TYR . . . . . . . . . . . . . 68.2 m-85 -117.33 143.93 45.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.214 176.151 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 683' ' ' SER . . . . . . . . . . . . . 40.8 t -120.95 130.97 54.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.177 -170.167 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 684' ' ' LEU . . . . . . . . . . . . . 83.7 mt -126.2 127.57 45.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.182 167.27 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 75.2 p -88.86 154.39 20.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.206 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 686' ' ' VAL . . . . . . . . . . . . . 8.4 p -62.74 -30.08 48.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.19 175.35 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 687' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -64.18 -45.37 88.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.192 175.293 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 688' ' ' ASN . . . . . . . . . . . . . 96.8 m-20 -60.18 -45.46 93.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.192 177.139 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 689' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -61.96 -41.52 98.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.153 179.135 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 690' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -59.28 -42.64 91.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.174 176.639 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 691' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -60.65 -44.77 96.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.173 175.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 692' ' ' VAL . . . . . . . . . . . . . 55.3 t -56.26 -40.83 68.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.184 178.432 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 693' ' ' LEU . . . . . . . . . . . . . 85.8 mt -67.25 -44.2 80.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.18 175.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 694' ' ' GLU . . . . . 0.493 ' HA ' ' HE ' ' A' ' 700' ' ' ARG . 95.5 mt-10 -61.15 -29.73 69.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.234 -176.222 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 695' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -52.92 -37.49 60.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.215 179.511 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 696' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -109.77 103.32 52.94 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.249 175.495 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 697' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_exo -53.24 -37.32 80.39 Favored 'Trans proline' 0 N--CA 1.459 -0.546 0 C-N-CA 121.7 1.6 . . . . 0.0 111.179 -173.564 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 698' ' ' MET . . . . . . . . . . . . . 61.3 tpp -53.36 -60.04 3.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.205 178.535 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 699' ' ' MET . . . . . . . . . . . . . 96.5 mmm -67.6 -30.27 69.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.19 -179.506 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 700' ' ' ARG . . . . . 0.493 ' HE ' ' HA ' ' A' ' 694' ' ' GLU . 22.8 ttm180 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.185 176.647 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 586' ' ' CYS . . . . . . . . . . . . . 62.7 m . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.8 0.333 . . . . 0.0 111.213 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 587' ' ' ARG . . . . . 0.491 ' HG2' HD13 ' A' ' 608' ' ' LEU . 99.9 mtt180 -59.36 -44.1 92.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.164 177.593 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 588' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -68.14 -34.94 77.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.169 179.2 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 66.3 tp -58.68 -48.68 80.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.177 177.502 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 590' ' ' VAL . . . . . . . . . . . . . 75.6 t -67.84 -41.45 85.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.173 177.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 591' ' ' ALA . . . . . . . . . . . . . . . -59.78 -33.59 71.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.183 178.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 79.1 p -84.08 -9.17 58.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.196 -178.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 593' ' ' MET . . . . . . . . . . . . . 56.8 ttm -62.19 136.24 95.37 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.15 178.469 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_exo -48.77 -44.0 32.85 Favored 'Trans proline' 0 N--CA 1.458 -0.568 0 C-N-CA 121.662 1.575 . . . . 0.0 111.229 -179.491 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 595' ' ' LEU . . . . . . . . . . . . . 57.5 tp -54.81 -38.78 67.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.201 -179.396 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 596' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -108.14 10.53 28.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.189 -173.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 597' ' ' ALA . . . . . . . . . . . . . . . -59.88 -42.38 93.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.181 -173.378 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 598' ' ' ASN . . . . . . . . . . . . . 72.8 m-80 -105.86 13.81 28.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.179 -179.119 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 599' ' ' ALA . . . . . . . . . . . . . . . -80.48 146.58 31.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.201 -179.656 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 600' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -62.57 135.1 95.41 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.198 178.44 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 601' ' ' PRO . . . . . . . . . . . . . 69.5 Cg_exo -49.22 -39.06 42.54 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 121.69 1.593 . . . . 0.0 111.182 -179.467 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 602' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -72.05 -42.93 65.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.187 -179.043 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 603' ' ' PHE . . . . . . . . . . . . . 70.8 t80 -52.21 -50.57 61.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.213 173.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 604' ' ' VAL . . . . . . . . . . . . . 70.1 t -62.43 -51.18 75.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.218 -179.242 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 605' ' ' THR . . . . . . . . . . . . . 84.7 m -50.16 -42.14 50.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.23 -179.092 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 606' ' ' SER . . . . . . . . . . . . . 46.7 t -64.86 -46.77 80.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.212 177.402 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 98.1 mmm -61.48 -28.76 69.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.185 -179.718 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 608' ' ' LEU . . . . . 0.491 HD13 ' HG2' ' A' ' 587' ' ' ARG . 80.9 mt -69.77 -13.81 62.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.139 -177.16 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 609' ' ' THR . . . . . . . . . . . . . 80.5 p -103.81 4.88 35.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.223 175.677 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 610' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -103.71 -3.79 24.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.197 177.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 611' ' ' LEU . . . . . 0.492 HD23 HD21 ' A' ' 684' ' ' LEU . 25.0 mt -59.86 130.6 47.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.227 -175.479 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 612' ' ' ARG . . . . . . . . . . . . . 94.5 mtt-85 -109.66 99.72 8.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.199 174.112 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 613' ' ' PHE . . . . . . . . . . . . . 49.8 m-85 -80.82 152.28 28.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.184 -170.606 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -161.22 134.12 6.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.198 175.728 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 615' ' ' VAL . . . . . . . . . . . . . 97.4 t -92.92 142.74 12.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.216 -179.215 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 616' ' ' PHE . . . . . 0.496 ' HB2' ' SG ' ' A' ' 679' ' ' CYS . 96.6 m-85 -129.99 144.61 51.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.235 -176.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 617' ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -101.58 162.64 19.83 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.208 175.631 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 618' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_exo -51.78 127.0 21.42 Favored 'Trans proline' 0 N--CA 1.458 -0.589 0 C-N-CA 121.718 1.612 . . . . 0.0 111.186 177.393 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 619' ' ' GLY . . . . . . . . . . . . . . . 99.88 -19.99 51.0 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.206 -0.758 . . . . 0.0 111.206 176.545 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 620' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -67.41 136.6 54.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.788 0.327 . . . . 0.0 111.185 -178.403 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 621' ' ' TYR . . . . . . . . . . . . . 59.2 m-85 -92.59 140.69 29.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.199 -179.049 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 622' ' ' ILE . . . . . . . . . . . . . 5.2 mp -107.57 -40.02 4.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.179 176.178 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 623' ' ' ILE . . . . . . . . . . . . . 62.7 mt -131.11 140.65 48.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.213 177.44 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 96.6 mtt-85 -121.68 127.0 50.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.206 174.522 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 625' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -58.34 133.08 55.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.195 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 626' ' ' GLY . . . . . . . . . . . . . . . 98.49 -21.44 45.97 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 179.336 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 627' ' ' THR . . . . . . . . . . . . . 97.1 m -75.55 139.54 42.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.764 0.316 . . . . 0.0 111.235 -179.679 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 628' ' ' ILE . . . . . . . . . . . . . 95.9 mt -81.71 125.25 39.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.214 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 629' ' ' GLY . . . . . . . . . . . . . . . -178.07 136.67 3.07 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 179.191 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 630' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -119.81 48.39 1.55 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.846 0.355 . . . . 0.0 111.232 -179.666 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 631' ' ' LYS . . . . . 0.574 ' H ' ' NH2' ' A' ' 669' ' ' ARG . 98.2 mttt -118.27 135.12 54.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.216 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 632' ' ' MET . . . . . . . . . . . . . 92.7 mtp -90.55 146.16 24.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.183 175.069 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 633' ' ' TYR . . . . . . . . . . . . . 91.0 m-85 -119.35 133.57 55.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.206 -178.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 634' ' ' PHE . . . . . . . . . . . . . 34.3 m-85 -121.31 134.84 55.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.185 -177.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 635' ' ' ILE . . . . . 0.403 ' HA ' ' HG ' ' A' ' 681' ' ' LEU . 84.1 mt -88.04 113.28 24.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.237 -173.737 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 71.6 tp60 -75.9 -40.02 55.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.185 176.366 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 637' ' ' HIS . . . . . . . . . . . . . 35.3 p80 -169.96 160.66 8.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.203 171.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 638' ' ' GLY . . . . . . . . . . . . . . . 101.2 -177.21 27.34 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 -179.544 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 639' ' ' VAL . . . . . . . . . . . . . 94.4 t -117.47 123.36 71.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.772 0.32 . . . . 0.0 111.174 -176.653 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 640' ' ' VAL . . . . . . . . . . . . . 73.9 t -126.61 130.75 71.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.193 -179.243 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 641' ' ' SER . . . . . . . . . . . . . 31.0 t -93.39 132.34 37.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.169 -175.624 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 642' ' ' VAL . . . . . . . . . . . . . 88.8 t -118.07 122.52 69.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.191 179.464 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 643' ' ' LEU . . . . . . . . . . . . . 65.6 tp -115.13 112.6 22.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.206 178.085 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 644' ' ' THR . . . . . . . . . . . . . 93.8 m -99.7 139.86 34.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.153 -175.752 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 89.0 tttt -53.35 119.28 4.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.228 -176.582 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 646' ' ' GLY . . . . . . . . . . . . . . . 85.02 5.03 86.46 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.204 -0.759 . . . . 0.0 111.204 173.082 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 647' ' ' ASN . . . . . . . . . . . . . 70.5 m-80 -125.79 155.72 40.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.807 0.337 . . . . 0.0 111.228 -178.494 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 648' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -65.77 150.7 48.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.175 -179.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 649' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -65.36 133.35 51.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.187 178.615 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 650' ' ' THR . . . . . . . . . . . . . 58.2 p -125.27 164.85 19.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.19 178.366 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 651' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -125.22 139.37 53.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.224 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 90.0 mt -121.53 156.24 33.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.184 177.502 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -136.3 -172.77 3.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.22 -175.247 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 654' ' ' ASP . . . . . . . . . . . . . 68.2 t0 -44.76 123.69 3.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.178 179.477 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 655' ' ' GLY . . . . . . . . . . . . . . . 103.19 -16.66 53.23 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.232 -0.747 . . . . 0.0 111.232 173.547 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 656' ' ' SER . . . . . . . . . . . . . 74.6 m -89.84 169.75 10.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.79 0.329 . . . . 0.0 111.209 179.129 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 657' ' ' TYR . . . . . . . . . . . . . 44.8 p90 -154.91 170.0 22.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.208 -177.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 658' ' ' PHE . . . . . . . . . . . . . 34.7 p90 -158.46 163.34 37.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.231 -178.23 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 659' ' ' GLY . . . . . . . . . . . . . . . 110.17 -12.92 31.38 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 -177.62 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 660' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -54.96 -42.72 72.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.825 0.345 . . . . 0.0 111.256 -179.569 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 661' ' ' ILE . . . . . . . . . . . . . 97.1 mt -70.95 -37.93 70.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.184 178.487 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 662' ' ' CYS . . . . . . . . . . . . . 90.7 m -60.94 -35.44 76.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.199 -177.468 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 663' ' ' LEU . . . . . . . . . . . . . 7.1 mp -64.54 -19.94 65.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.173 177.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 86.3 mt -92.34 4.95 52.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.265 -176.393 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 665' ' ' THR . . . . . . . . . . . . . 30.1 p -91.91 -169.97 2.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.195 178.369 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 666' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -84.12 2.18 40.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.176 178.262 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 131.34 -33.85 2.71 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.165 -0.774 . . . . 0.0 111.165 175.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 83.7 mtp180 -80.8 141.97 34.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.853 0.359 . . . . 0.0 111.194 178.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 669' ' ' ARG . . . . . 0.574 ' NH2' ' H ' ' A' ' 631' ' ' LYS . 29.5 mmt180 -71.51 145.63 49.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.206 179.748 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 670' ' ' THR . . . . . . . . . . . . . 58.0 p -111.92 24.45 12.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.169 177.324 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 671' ' ' ALA . . . . . . . . . . . . . . . -155.57 158.62 38.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.175 -178.515 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 672' ' ' SER . . . . . . . . . . . . . 59.8 m -121.07 136.81 54.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.211 173.096 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 673' ' ' VAL . . . . . . . . . . . . . 64.9 t -133.25 134.13 57.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.227 -171.713 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 674' ' ' ARG . . . . . . . . . . . . . 37.8 ptt180 -147.45 153.51 39.66 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.234 178.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 675' ' ' ALA . . . . . . . . . . . . . . . -80.7 139.4 36.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.176 -175.318 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 676' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -95.95 -35.39 11.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.183 175.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 44.7 p -127.79 165.18 20.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.254 176.114 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 678' ' ' TYR . . . . . . . . . . . . . 67.3 t80 -56.07 112.89 1.32 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.18 174.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 679' ' ' CYS . . . . . 0.496 ' SG ' ' HB2' ' A' ' 616' ' ' PHE . 31.6 p -138.47 170.0 16.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.216 -164.839 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 680' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -138.95 133.96 32.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.251 176.553 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 681' ' ' LEU . . . . . 0.403 ' HG ' ' HA ' ' A' ' 635' ' ' ILE . 4.7 mp -127.9 173.76 9.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.213 -178.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 682' ' ' TYR . . . . . . . . . . . . . 32.1 p90 -145.07 149.39 34.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.216 167.597 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 683' ' ' SER . . . . . . . . . . . . . 28.8 t -112.67 145.32 40.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.18 -168.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 684' ' ' LEU . . . . . 0.492 HD21 HD23 ' A' ' 611' ' ' LEU . 78.6 mt -132.09 123.16 26.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.199 168.818 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 71.8 p -77.42 151.27 34.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.167 -179.322 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 686' ' ' VAL . . . . . . . . . . . . . 9.5 p -58.14 -27.87 33.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.219 173.169 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 687' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -66.63 -40.72 88.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.185 175.483 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 688' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -67.06 -40.58 87.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.172 177.385 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 689' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -58.58 -49.43 77.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.241 176.355 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 690' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -68.59 -36.82 79.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.235 -179.311 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 691' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -59.0 -51.19 71.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.245 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 692' ' ' VAL . . . . . . . . . . . . . 76.6 t -70.7 -34.69 57.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.207 179.582 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 693' ' ' LEU . . . . . 0.421 HD12 ' HB3' ' A' ' 699' ' ' MET . 28.5 tp -55.92 -43.92 77.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.215 174.67 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 694' ' ' GLU . . . . . . . . . . . . . 60.1 mt-10 -85.45 -20.36 29.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.172 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 695' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -53.58 -47.38 70.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.24 176.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 696' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -93.95 121.33 64.45 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.184 177.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 697' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_exo -54.36 -33.79 77.99 Favored 'Trans proline' 0 N--CA 1.458 -0.585 0 C-N-CA 121.687 1.591 . . . . 0.0 111.186 -179.566 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 698' ' ' MET . . . . . . . . . . . . . 99.8 mmm -67.85 -30.13 69.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.21 -178.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 699' ' ' MET . . . . . 0.421 ' HB3' HD12 ' A' ' 693' ' ' LEU . 99.3 mmm -96.8 -19.91 18.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.228 -178.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 700' ' ' ARG . . . . . . . . . . . . . 39.2 ttm180 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.204 -177.366 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 586' ' ' CYS . . . . . . . . . . . . . 57.2 m . . . . . 0 CA--C 1.523 -0.069 0 CA-C-O 120.862 0.363 . . . . 0.0 111.214 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 587' ' ' ARG . . . . . . . . . . . . . 63.7 ttm-85 -56.74 -50.05 73.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.175 177.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 588' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -67.11 -41.25 86.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.235 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 33.6 tp -57.96 -47.97 81.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.232 179.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 590' ' ' VAL . . . . . . . . . . . . . 58.3 t -66.05 -40.18 86.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.202 177.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 591' ' ' ALA . . . . . . . . . . . . . . . -70.43 -11.39 60.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.144 -175.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 66.1 m -67.06 -21.67 65.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.209 -177.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 593' ' ' MET . . . . . . . . . . . . . 73.9 mtm -54.9 128.73 64.7 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.188 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -54.68 -45.05 43.89 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 121.658 1.572 . . . . 0.0 111.216 176.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 595' ' ' LEU . . . . . . . . . . . . . 60.2 tp -62.93 -40.71 98.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.176 -177.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 596' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -100.63 14.89 29.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.155 -177.117 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 597' ' ' ALA . . . . . . . . . . . . . . . -60.0 -35.36 74.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.206 178.747 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 598' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -110.03 20.06 18.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.176 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 599' ' ' ALA . . . . . . . . . . . . . . . -67.12 149.55 50.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.228 179.627 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 600' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -58.66 143.57 81.66 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.185 178.207 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 601' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_exo -51.62 -34.47 53.08 Favored 'Trans proline' 0 N--CA 1.458 -0.598 0 C-N-CA 121.701 1.6 . . . . 0.0 111.178 175.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 602' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -72.47 -35.07 68.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.228 179.531 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 603' ' ' PHE . . . . . . . . . . . . . 10.9 m-30 -67.29 -35.26 79.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.187 176.039 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 604' ' ' VAL . . . . . . . . . . . . . 75.9 t -63.6 -51.17 73.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.184 175.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 605' ' ' THR . . . . . . . . . . . . . 88.9 m -56.99 -45.28 83.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.21 175.32 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 606' ' ' SER . . . . . . . . . . . . . 57.9 m -54.98 -49.88 70.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.232 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 77.1 mtm -56.8 -46.03 81.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.18 177.277 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 608' ' ' LEU . . . . . . . . . . . . . 84.8 mt -59.31 -39.94 84.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.21 -176.402 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 609' ' ' THR . . . . . . . . . . . . . 80.6 p -77.21 -10.62 59.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.198 -176.311 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 610' ' ' LYS . . . . . . . . . . . . . 66.2 mttm -99.87 -6.03 27.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.217 179.038 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 611' ' ' LEU . . . . . . . . . . . . . 63.7 mt -64.99 131.72 47.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.173 -177.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 612' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -103.14 133.25 48.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.165 177.378 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 613' ' ' PHE . . . . . . . . . . . . . 84.0 t80 -92.05 135.05 34.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.175 -171.4 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -151.65 132.7 14.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.195 174.15 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 615' ' ' VAL . . . . . 0.565 HG22 ' HG2' ' A' ' 680' ' ' ARG . 99.4 t -93.87 143.67 11.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.246 173.41 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 616' ' ' PHE . . . . . 0.709 ' HB2' ' SG ' ' A' ' 679' ' ' CYS . 98.1 m-85 -124.44 135.21 53.07 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.227 178.064 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 617' ' ' GLN . . . . . . . . . . . . . 17.0 pt20 -93.91 161.47 29.86 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.231 -178.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 618' ' ' PRO . . . . . 0.416 ' HG3' ' HA ' ' A' ' 677' ' ' THR . 82.0 Cg_exo -52.08 123.99 13.78 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 121.73 1.62 . . . . 0.0 111.197 176.41 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 619' ' ' GLY . . . . . . . . . . . . . . . 94.89 -12.11 68.9 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.164 -0.775 . . . . 0.0 111.164 176.279 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 620' ' ' ASP . . . . . . . . . . . . . 65.6 t0 -73.62 118.65 16.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.798 0.332 . . . . 0.0 111.169 179.243 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 621' ' ' TYR . . . . . . . . . . . . . 60.5 m-85 -72.53 140.63 48.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.26 178.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 622' ' ' ILE . . . . . . . . . . . . . 68.6 mt -107.42 -44.95 7.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.169 178.278 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 623' ' ' ILE . . . . . . . . . . . . . 75.0 mt -134.94 121.77 35.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.197 175.441 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 37.1 mmt180 -79.93 138.11 37.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.212 177.096 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 625' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -67.64 130.96 44.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.184 178.362 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 626' ' ' GLY . . . . . . . . . . . . . . . 100.09 -4.8 57.47 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 177.137 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 627' ' ' THR . . . . . . . . . . . . . 44.3 p -99.94 157.12 16.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.785 0.326 . . . . 0.0 111.194 178.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 628' ' ' ILE . . . . . 0.422 ' HA ' ' HA ' ' A' ' 668' ' ' ARG . 97.5 mt -79.52 128.41 38.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.187 -176.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 629' ' ' GLY . . . . . . . . . . . . . . . -98.91 131.97 10.76 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.146 -0.782 . . . . 0.0 111.146 177.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 630' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -131.12 -3.76 3.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.804 0.335 . . . . 0.0 111.2 -179.013 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 631' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -125.03 144.56 50.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.176 -178.577 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 632' ' ' MET . . . . . . . . . . . . . 66.2 mtp -90.7 152.44 20.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.213 169.539 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 633' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -129.1 126.6 39.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.197 177.672 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 634' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -110.64 128.15 55.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.227 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 635' ' ' ILE . . . . . . . . . . . . . 73.2 mt -92.41 99.01 9.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.181 -174.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 21.7 tm0? -73.08 -31.71 64.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.18 -178.218 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 637' ' ' HIS . . . . . . . . . . . . . 80.2 t60 -168.82 140.06 2.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.189 176.04 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 638' ' ' GLY . . . . . . . . . . . . . . . 114.02 -178.86 18.51 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 639' ' ' VAL . . . . . . . . . . . . . 95.5 t -120.12 131.25 72.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.78 0.324 . . . . 0.0 111.189 -174.337 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 640' ' ' VAL . . . . . . . . . . . . . 86.7 t -128.76 136.61 59.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.182 175.499 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 641' ' ' SER . . . . . . . . . . . . . 29.6 t -100.94 128.22 47.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.19 -177.517 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 642' ' ' VAL . . . . . . . . . . . . . 70.0 t -112.42 98.57 7.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.211 177.06 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 643' ' ' LEU . . . . . . . . . . . . . 69.6 tp -84.78 110.06 18.53 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.217 -178.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 644' ' ' THR . . . . . . . . . . . . . 97.7 m -86.97 136.34 32.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.209 -176.18 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 89.3 tttt -55.34 118.92 4.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.221 -177.142 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 646' ' ' GLY . . . . . . . . . . . . . . . 72.8 15.05 78.06 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 173.688 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 647' ' ' ASN . . . . . . . . . . . . . 63.7 m-80 -139.7 160.02 40.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.722 0.296 . . . . 0.0 111.227 -176.663 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 648' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -63.12 138.96 58.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.212 175.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 649' ' ' GLU . . . . . . . . . . . . . 19.7 pm0 -64.89 147.3 53.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.182 -178.12 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 650' ' ' THR . . . . . . . . . . . . . 95.5 m -102.89 131.05 50.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.227 174.48 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 651' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -92.76 122.67 35.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.243 -179.356 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 77.8 mt -112.9 141.61 46.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.207 177.442 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -134.43 -170.06 2.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.22 -173.551 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 654' ' ' ASP . . . . . . . . . . . . . 58.4 t0 -51.54 115.64 1.71 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.192 176.718 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 655' ' ' GLY . . . . . . . . . . . . . . . 103.36 2.85 47.7 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 179.454 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 656' ' ' SER . . . . . . . . . . . . . 44.8 m -99.86 170.5 8.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.772 0.32 . . . . 0.0 111.234 176.324 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 657' ' ' TYR . . . . . . . . . . . . . 50.0 p90 -159.85 169.53 23.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.194 175.022 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 658' ' ' PHE . . . . . . . . . . . . . 41.0 p90 -155.15 171.47 19.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.208 -179.014 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 659' ' ' GLY . . . . . . . . . . . . . . . 92.47 4.69 65.8 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.179 -0.768 . . . . 0.0 111.179 -174.463 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 660' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -55.24 -35.47 64.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.785 0.326 . . . . 0.0 111.198 -177.023 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 661' ' ' ILE . . . . . . . . . . . . . 94.1 mt -55.0 -33.93 30.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.219 -179.464 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 662' ' ' CYS . . . . . . . . . . . . . 74.0 m -56.14 -30.32 61.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.215 -176.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 663' ' ' LEU . . . . . . . . . . . . . 94.2 mt -63.07 -32.14 73.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.187 179.761 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 95.1 mt -88.83 -37.69 15.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.195 -179.359 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 665' ' ' THR . . . . . . . . . . . . . 5.3 t -159.99 129.57 5.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.197 177.32 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 666' ' ' ARG . . . . . 0.651 ' HD3' ' HB ' ' A' ' 686' ' ' VAL . 85.7 mtm180 -87.43 74.48 9.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.166 178.51 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . -118.91 -167.93 13.96 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 -176.411 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 668' ' ' ARG . . . . . 0.422 ' HA ' ' HA ' ' A' ' 628' ' ' ILE . 75.0 mtp180 -73.51 137.07 44.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.799 0.333 . . . . 0.0 111.211 179.786 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 56.3 ttt85 -90.49 130.48 36.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.216 179.617 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 670' ' ' THR . . . . . . . . . . . . . 41.2 p -93.66 42.41 1.1 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.159 178.65 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 671' ' ' ALA . . . . . . . . . . . . . . . -153.71 143.43 21.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.202 179.653 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 672' ' ' SER . . . . . . . . . . . . . 37.5 t -100.32 119.14 37.96 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.214 177.291 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 673' ' ' VAL . . . . . . . . . . . . . 58.2 t -107.85 119.02 56.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.158 -175.563 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 674' ' ' ARG . . . . . . . . . . . . . 59.7 ttp180 -136.09 136.97 40.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.174 -177.551 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 675' ' ' ALA . . . . . . . . . . . . . . . -71.64 139.29 49.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.168 -179.418 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 676' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -99.7 -36.53 9.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.187 -179.404 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 677' ' ' THR . . . . . 0.416 ' HA ' ' HG3' ' A' ' 618' ' ' PRO . 37.2 p -123.63 177.4 5.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.171 179.555 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 678' ' ' TYR . . . . . . . . . . . . . 84.2 m-85 -69.92 93.21 0.75 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.233 170.625 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 679' ' ' CYS . . . . . 0.709 ' SG ' ' HB2' ' A' ' 616' ' ' PHE . 27.7 p -114.42 152.76 31.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.206 -166.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 680' ' ' ARG . . . . . 0.565 ' HG2' HG22 ' A' ' 615' ' ' VAL . 99.6 mtt180 -112.93 114.75 27.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.155 -179.338 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 681' ' ' LEU . . . . . . . . . . . . . 7.9 mp -116.34 149.96 38.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.173 -173.003 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 682' ' ' TYR . . . . . . . . . . . . . 75.0 m-85 -116.4 128.33 55.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.202 169.319 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 683' ' ' SER . . . . . . . . . . . . . 96.5 p -111.1 155.02 23.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.217 -175.101 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 684' ' ' LEU . . . . . . . . . . . . . 41.4 tp -162.62 133.89 5.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.24 176.082 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 72.3 p -77.06 155.76 32.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.226 -173.162 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 686' ' ' VAL . . . . . 0.651 ' HB ' ' HD3' ' A' ' 666' ' ' ARG . 69.3 t -62.52 -32.98 57.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.206 173.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 687' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -58.94 -41.58 87.71 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.204 175.613 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 688' ' ' ASN . . . . . . . . . . . . . 97.2 m-20 -74.23 -35.7 63.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.164 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 689' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -57.91 -42.55 84.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.189 171.188 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 690' ' ' ASN . . . . . . . . . . . . . 97.1 m-20 -65.07 -38.2 90.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.255 176.667 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 691' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -59.71 -41.46 90.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.165 177.755 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 692' ' ' VAL . . . . . . . . . . . . . 57.4 t -65.11 -49.14 80.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.173 176.597 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 693' ' ' LEU . . . . . . . . . . . . . 84.6 mt -62.86 -29.37 70.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.185 -178.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 694' ' ' GLU . . . . . . . . . . . . . 61.5 mt-10 -100.5 14.05 32.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.145 -179.442 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 695' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -68.71 -40.85 79.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.194 179.732 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 696' ' ' TYR . . . . . . . . . . . . . 22.1 m-30 -100.0 129.95 27.32 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.216 174.325 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 697' ' ' PRO . . . . . . . . . . . . . 80.6 Cg_exo -53.3 -37.05 80.53 Favored 'Trans proline' 0 N--CA 1.458 -0.58 0 C-N-CA 121.699 1.599 . . . . 0.0 111.207 179.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 698' ' ' MET . . . . . . . . . . . . . 99.9 mmm -63.8 -30.1 71.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.204 -177.695 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 699' ' ' MET . . . . . . . . . . . . . 99.1 mmm -97.74 -20.01 17.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.199 179.17 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 700' ' ' ARG . . . . . . . . . . . . . 35.7 ttm180 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.207 174.549 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 586' ' ' CYS . . . . . . . . . . . . . 62.0 m . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.798 0.332 . . . . 0.0 111.213 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 587' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -58.79 -36.78 74.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.171 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 588' ' ' LYS . . . . . . . . . . . . . 64.6 pttt -61.99 -24.2 66.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.208 178.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 83.9 mt -90.96 -40.35 11.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.19 -179.128 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 590' ' ' VAL . . . . . . . . . . . . . 73.6 t -68.76 -31.85 52.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.21 178.137 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 591' ' ' ALA . . . . . . . . . . . . . . . -83.94 6.96 19.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.22 -176.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 61.5 p -80.3 -9.27 59.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.207 173.714 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 593' ' ' MET . . . . . . . . . . . . . 65.3 mtt -64.23 152.94 87.16 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.197 178.72 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 81.7 Cg_exo -54.94 -39.91 88.26 Favored 'Trans proline' 0 N--CA 1.459 -0.548 0 C-N-CA 121.71 1.607 . . . . 0.0 111.161 -178.077 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 595' ' ' LEU . . . . . . . . . . . . . 52.8 tp -52.04 -49.76 62.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.158 178.788 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 596' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -79.3 -33.32 43.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.215 -172.619 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 597' ' ' ALA . . . . . . . . . . . . . . . -60.21 -39.17 85.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.168 175.533 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 598' ' ' ASN . . . . . . . . . . . . . 73.1 m-80 -99.96 30.05 3.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.168 178.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 599' ' ' ALA . . . . . . . . . . . . . . . -125.12 151.47 45.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.158 177.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 600' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -65.67 151.89 93.84 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.199 176.1 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 601' ' ' PRO . . . . . . . . . . . . . 82.8 Cg_exo -51.66 -36.33 60.71 Favored 'Trans proline' 0 N--CA 1.458 -0.589 0 C-N-CA 121.726 1.617 . . . . 0.0 111.164 177.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 602' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -66.08 -40.88 91.17 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.23 177.217 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 603' ' ' PHE . . . . . . . . . . . . . 13.8 m-30 -67.67 -34.04 76.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.232 178.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 604' ' ' VAL . . . . . . . . . . . . . 66.6 t -62.28 -53.29 49.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.21 175.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 605' ' ' THR . . . . . . . . . . . . . 97.4 m -53.25 -48.4 68.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.214 179.019 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 606' ' ' SER . . . . . . . . . . . . . 58.3 m -63.69 -50.62 68.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.241 -177.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 61.0 mtt -61.62 -37.72 85.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.186 -173.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 608' ' ' LEU . . . . . . . . . . . . . 80.8 mt -64.6 -15.97 61.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.221 -176.378 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 609' ' ' THR . . . . . . . . . . . . . 69.7 p -100.45 -4.29 29.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.181 178.709 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 610' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -113.99 -15.78 12.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.232 -176.341 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 611' ' ' LEU . . . . . 0.414 HD22 ' HB3' ' A' ' 682' ' ' TYR . 76.4 mt -52.72 131.21 34.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.211 178.315 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 612' ' ' ARG . . . . . . . . . . . . . 53.1 ttp180 -104.88 122.15 45.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.205 172.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 613' ' ' PHE . . . . . . . . . . . . . 59.1 t80 -86.15 122.14 29.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.193 -177.546 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -129.82 126.15 37.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.173 -179.453 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 615' ' ' VAL . . . . . . . . . . . . . 99.3 t -98.38 140.54 17.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.195 175.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 616' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -127.44 140.03 52.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.233 -179.086 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 617' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -93.27 162.22 28.75 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.179 -178.218 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 618' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_exo -54.01 117.14 3.57 Favored 'Trans proline' 0 N--CA 1.458 -0.576 0 C-N-CA 121.654 1.569 . . . . 0.0 111.234 175.466 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 619' ' ' GLY . . . . . 0.437 ' O ' ' HD2' ' A' ' 674' ' ' ARG . . . 94.95 -4.98 68.55 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.173 -0.771 . . . . 0.0 111.173 177.489 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 620' ' ' ASP . . . . . . . . . . . . . 64.7 t0 -78.34 123.67 27.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.778 0.323 . . . . 0.0 111.2 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 621' ' ' TYR . . . . . . . . . . . . . 44.3 m-85 -68.75 141.19 55.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.173 178.022 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 622' ' ' ILE . . . . . . . . . . . . . 89.1 mt -100.73 -40.18 7.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.166 175.212 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 623' ' ' ILE . . . . . . . . . . . . . 19.1 tt -160.01 137.2 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.21 176.673 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -108.34 148.48 30.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.238 -175.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 625' ' ' GLU . . . . . . . . . . . . . 23.4 pt-20 -70.09 157.17 38.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.225 -179.158 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 626' ' ' GLY . . . . . . . . . . . . . . . 88.24 12.34 65.58 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 178.054 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 627' ' ' THR . . . . . . . . . . . . . 59.3 p -121.68 157.09 31.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.821 0.344 . . . . 0.0 111.191 178.404 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 628' ' ' ILE . . . . . . . . . . . . . 70.0 mt -99.54 80.09 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.167 -179.477 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 629' ' ' GLY . . . . . . . . . . . . . . . -77.76 147.36 32.2 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 -179.493 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 630' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -129.96 30.26 4.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.789 0.328 . . . . 0.0 111.247 176.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 631' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -128.42 139.73 52.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.191 -179.033 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 632' ' ' MET . . . . . . . . . . . . . 64.3 mtt -93.03 143.34 26.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.233 172.206 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 633' ' ' TYR . . . . . . . . . . . . . 90.4 m-85 -119.85 124.81 46.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.214 -175.692 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 634' ' ' PHE . . . . . . . . . . . . . 77.2 m-85 -120.16 131.18 54.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.158 -176.63 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 635' ' ' ILE . . . . . . . . . . . . . 75.8 mt -91.71 109.78 21.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.231 -172.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 70.6 tp60 -78.08 -37.86 45.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.202 176.642 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 637' ' ' HIS . . . . . . . . . . . . . 81.7 t60 -162.4 142.08 9.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.177 174.648 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 638' ' ' GLY . . . . . . . . . . . . . . . 113.03 177.63 19.58 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 177.122 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 639' ' ' VAL . . . . . . . . . . . . . 85.5 t -124.84 138.0 55.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.782 0.325 . . . . 0.0 111.231 -177.514 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 640' ' ' VAL . . . . . . . . . . . . . 17.6 m -123.98 147.53 28.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.179 177.207 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 641' ' ' SER . . . . . . . . . . . . . 29.1 t -95.01 123.47 38.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.224 176.16 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 642' ' ' VAL . . . . . 0.415 HG22 HG22 ' A' ' 673' ' ' VAL . 58.6 t -111.68 114.68 47.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.21 -177.829 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 643' ' ' LEU . . . . . . . . . . . . . 64.5 tp -112.59 120.0 40.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.182 -178.255 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 644' ' ' THR . . . . . . . . . . . . . 92.1 m -112.4 144.41 41.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.182 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -54.27 144.87 19.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.232 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 646' ' ' GLY . . . . . . . . . . . . . . . 100.6 7.92 50.2 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 -173.374 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 647' ' ' ASN . . . . . . . . . . . . . 52.7 t30 69.86 47.29 0.62 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.778 0.323 . . . . 0.0 111.162 179.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 648' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -110.18 94.52 5.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.22 179.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 649' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -100.05 120.04 39.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.199 -177.094 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 650' ' ' THR . . . . . . . . . . . . . 63.2 p -134.56 172.71 12.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.165 176.411 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 651' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -133.23 145.34 50.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.159 177.524 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 91.1 mt -121.75 149.3 43.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.163 176.28 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -129.48 -169.75 2.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.164 -170.698 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 654' ' ' ASP . . . . . . . . . . . . . 65.3 t0 -55.96 121.81 10.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.214 178.26 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 655' ' ' GLY . . . . . . . . . . . . . . . 100.05 -6.07 58.12 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 -179.721 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 656' ' ' SER . . . . . . . . . . . . . 34.4 m -93.76 169.77 10.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.798 0.332 . . . . 0.0 111.203 175.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 657' ' ' TYR . . . . . . . . . . . . . 34.1 p90 -157.53 169.1 25.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.197 178.524 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 658' ' ' PHE . . . . . . . . . . . . . 40.9 p90 -159.72 171.02 20.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.178 -177.574 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 659' ' ' GLY . . . . . . . . . . . . . . . 90.59 1.99 73.49 Favored Glycine 0 CA--C 1.522 0.521 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 177.594 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 660' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -59.58 -53.74 54.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.811 0.338 . . . . 0.0 111.221 178.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 661' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.05 -40.48 87.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.203 178.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 662' ' ' CYS . . . . . . . . . . . . . 42.2 t -54.57 -54.54 40.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.164 179.31 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 663' ' ' LEU . . . . . 0.563 HD23 ' C ' ' A' ' 663' ' ' LEU . 8.5 tt -60.42 -43.57 96.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.222 -179.87 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 81.0 mt -61.1 -39.76 91.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.171 -177.526 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 665' ' ' THR . . . . . . . . . . . . . 67.9 p -80.7 165.88 21.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.151 179.681 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 666' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -120.06 47.14 1.8 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.151 178.459 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . -148.88 -171.52 17.72 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 111.176 -0.769 . . . . 0.0 111.176 -178.037 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 89.9 mtm180 -79.26 137.98 37.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.815 0.341 . . . . 0.0 111.212 -178.074 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 77.5 ttt180 -76.77 141.72 40.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.195 -179.639 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 670' ' ' THR . . . . . . . . . . . . . 40.1 p -102.47 38.23 1.74 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.18 -179.595 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 671' ' ' ALA . . . . . . . . . . . . . . . -159.2 155.51 27.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.215 -177.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 672' ' ' SER . . . . . . . . . . . . . 95.9 p -132.91 155.37 49.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.195 178.565 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 673' ' ' VAL . . . . . 0.415 HG22 HG22 ' A' ' 642' ' ' VAL . 47.4 t -135.0 129.96 51.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.237 -177.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 674' ' ' ARG . . . . . 0.437 ' HD2' ' O ' ' A' ' 619' ' ' GLY . 60.1 ttp180 -131.12 134.1 46.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.186 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 675' ' ' ALA . . . . . . . . . . . . . . . -68.08 130.72 43.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.213 -177.045 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 676' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -85.83 -20.87 28.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.222 -178.32 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 677' ' ' THR . . . . . 0.441 ' O ' ' SG ' ' A' ' 679' ' ' CYS . 14.7 t -155.72 -169.04 2.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.189 -178.557 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 678' ' ' TYR . . . . . . . . . . . . . 89.7 t80 -59.99 99.88 0.08 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.242 172.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 679' ' ' CYS . . . . . 0.441 ' SG ' ' O ' ' A' ' 677' ' ' THR . 79.3 m -113.3 141.22 47.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.203 -171.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 680' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -115.82 115.07 25.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.218 174.58 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 681' ' ' LEU . . . . . . . . . . . . . 5.8 mp -119.96 155.25 33.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.182 -174.021 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 682' ' ' TYR . . . . . 0.414 ' HB3' HD22 ' A' ' 611' ' ' LEU . 80.3 m-85 -116.21 138.92 50.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.2 166.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 683' ' ' SER . . . . . . . . . . . . . 66.2 m -116.51 143.05 46.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.176 -177.33 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 684' ' ' LEU . . . . . 0.408 ' HG ' HD23 ' A' ' 611' ' ' LEU . 74.4 mt -133.48 127.4 33.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.241 170.391 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 85.0 p -83.74 158.81 21.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.218 179.181 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 686' ' ' VAL . . . . . . . . . . . . . 10.6 p -56.09 -31.54 31.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.237 171.58 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 687' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -64.3 -44.04 92.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.205 176.169 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 688' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -63.29 -43.5 97.71 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.148 176.489 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 689' ' ' PHE . . . . . . . . . . . . . 33.8 m-85 -62.75 -34.44 77.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.24 179.574 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 690' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -68.21 -44.1 76.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.18 175.505 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 691' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -58.45 -41.51 85.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.142 -179.098 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 692' ' ' VAL . . . . . . . . . . . . . 55.7 t -50.37 -35.11 12.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.236 177.65 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 693' ' ' LEU . . . . . . . . . . . . . 79.7 mt -94.74 -5.0 46.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.21 -172.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 694' ' ' GLU . . . . . 0.528 ' HA ' ' HE ' ' A' ' 700' ' ' ARG . 96.6 mt-10 -109.89 -10.97 14.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.2 -177.61 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 695' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -74.24 -7.61 53.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.204 174.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 696' ' ' TYR . . . . . . . . . . . . . 39.4 m-85 -125.56 80.79 65.61 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.154 178.15 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 697' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_exo -55.5 -31.53 78.72 Favored 'Trans proline' 0 N--CA 1.459 -0.533 0 C-N-CA 121.682 1.588 . . . . 0.0 111.195 -178.046 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 698' ' ' MET . . . . . . . . . . . . . 100.0 mmm -63.6 -31.76 73.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.191 -175.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 699' ' ' MET . . . . . . . . . . . . . 97.1 mmm -118.76 10.02 12.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.179 -178.491 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 700' ' ' ARG . . . . . 0.528 ' HE ' ' HA ' ' A' ' 694' ' ' GLU . 40.3 ttm180 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.207 -177.738 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 586' ' ' CYS . . . . . . . . . . . . . 41.8 t . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.793 0.33 . . . . 0.0 111.213 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 587' ' ' ARG . . . . . . . . . . . . . 60.0 ttp180 -46.85 -41.66 16.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.234 174.718 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 588' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -69.62 -25.18 63.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.166 -176.755 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 95.5 mt -80.7 -36.23 32.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.199 -178.182 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 590' ' ' VAL . . . . . . . . . . . . . 70.1 t -77.42 -38.39 26.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.209 175.456 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 591' ' ' ALA . . . . . . . . . . . . . . . -68.4 -14.12 62.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.198 -174.612 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 59.8 p -63.52 -24.9 68.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.222 177.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 593' ' ' MET . . . . . 0.415 ' HG2' ' H ' ' A' ' 595' ' ' LEU . 53.4 ttm -69.96 133.35 88.1 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.183 174.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 99.9 Cg_exo -51.76 -37.46 65.15 Favored 'Trans proline' 0 N--CA 1.459 -0.559 0 C-N-CA 121.656 1.57 . . . . 0.0 111.225 -179.309 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 595' ' ' LEU . . . . . 0.415 ' H ' ' HG2' ' A' ' 593' ' ' MET . 88.1 mt -61.57 -29.65 70.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.192 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 596' ' ' PHE . . . . . . . . . . . . . 72.9 m-85 -107.85 14.55 25.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.207 -179.233 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 597' ' ' ALA . . . . . . . . . . . . . . . -71.85 -48.9 42.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.217 -179.597 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 598' ' ' ASN . . . . . . . . . . . . . 72.6 m-80 -110.13 12.94 23.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.227 -179.346 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 599' ' ' ALA . . . . . . . . . . . . . . . -66.85 149.97 49.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.204 -179.176 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 600' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -64.16 134.77 96.06 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.218 179.22 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 601' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_exo -51.08 -36.62 55.47 Favored 'Trans proline' 0 N--CA 1.457 -0.631 0 C-N-CA 121.726 1.617 . . . . 0.0 111.184 -178.066 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 602' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -70.46 -41.44 72.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.197 -178.518 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 603' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -61.28 -44.03 97.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.184 175.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 604' ' ' VAL . . . . . . . . . . . . . 78.5 t -62.52 -45.55 98.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.153 178.021 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 605' ' ' THR . . . . . . . . . . . . . 88.7 m -55.15 -48.52 73.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.192 177.06 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 606' ' ' SER . . . . . . . . . . . . . 73.6 m -54.29 -45.81 72.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.223 177.636 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 33.0 mmt -60.13 -46.01 91.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.137 176.154 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 608' ' ' LEU . . . . . 0.401 HD23 HD11 ' A' ' 611' ' ' LEU . 80.1 mt -55.96 -40.42 73.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.169 -177.065 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 609' ' ' THR . . . . . . . . . . . . . 65.9 p -76.48 -14.99 60.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.192 -178.341 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 610' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -104.87 8.65 34.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.205 -178.317 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 611' ' ' LEU . . . . . 0.443 HD23 ' CD2' ' A' ' 684' ' ' LEU . 80.3 mt -64.21 130.34 43.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.201 178.284 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 612' ' ' ARG . . . . . . . . . . . . . 75.7 ttt180 -102.46 123.76 46.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.223 177.197 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 613' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -102.02 147.77 26.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.222 -174.271 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -154.24 132.12 11.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.217 -178.463 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 615' ' ' VAL . . . . . . . . . . . . . 88.1 t -86.3 141.32 14.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.191 178.018 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 616' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -128.84 133.62 48.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.212 -179.647 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 617' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -90.9 165.18 22.86 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.235 179.263 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 618' ' ' PRO . . . . . . . . . . . . . 69.9 Cg_exo -54.51 117.06 3.54 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 121.707 1.605 . . . . 0.0 111.247 175.036 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 619' ' ' GLY . . . . . . . . . . . . . . . 94.78 -5.07 69.24 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 178.061 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 620' ' ' ASP . . . . . . . . . . . . . 62.7 t0 -74.77 125.86 29.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.767 0.317 . . . . 0.0 111.173 178.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 621' ' ' TYR . . . . . . . . . . . . . 53.5 m-85 -77.05 140.11 40.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.161 -175.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 622' ' ' ILE . . . . . . . . . . . . . 77.4 mt -105.74 -42.96 7.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.178 176.16 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 623' ' ' ILE . . . . . . . . . . . . . 59.1 mt -130.27 136.89 57.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.21 178.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 96.3 mtt-85 -120.11 124.79 46.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.225 172.733 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 625' ' ' GLU . . . . . . . . . . . . . 23.2 pt-20 -66.99 156.12 36.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.172 -179.64 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 626' ' ' GLY . . . . . . . . . . . . . . . 92.09 7.42 64.09 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.191 -0.764 . . . . 0.0 111.191 179.646 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 627' ' ' THR . . . . . . . . . . . . . 70.6 p -122.53 153.83 38.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.846 0.355 . . . . 0.0 111.19 176.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 628' ' ' ILE . . . . . . . . . . . . . 46.3 mm -64.02 127.18 24.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.22 -175.654 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 629' ' ' GLY . . . . . . . . . . . . . . . -87.01 141.59 17.77 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 630' ' ' LYS . . . . . . . . . . . . . 62.1 pttt -169.61 21.6 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.829 0.347 . . . . 0.0 111.229 -178.413 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 631' ' ' LYS . . . . . 0.479 ' HB2' HH22 ' A' ' 669' ' ' ARG . 98.6 mttt -142.25 150.04 40.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.219 179.479 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 632' ' ' MET . . . . . . . . . . . . . 71.6 mtm -118.98 137.94 53.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.187 172.403 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 633' ' ' TYR . . . . . . . . . . . . . 83.6 m-85 -115.08 136.24 53.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.186 -170.083 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 634' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 -120.26 139.85 52.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.224 175.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 635' ' ' ILE . . . . . 0.435 HG12 HD21 ' A' ' 681' ' ' LEU . 73.5 mt -92.89 103.06 14.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.159 -177.546 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -62.93 -51.0 68.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.165 174.652 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 637' ' ' HIS . . . . . . . . . . . . . 53.5 p-80 -159.07 169.1 25.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.167 172.161 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 638' ' ' GLY . . . . . . . . . . . . . . . 91.37 -175.53 39.39 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.174 -0.77 . . . . 0.0 111.174 178.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 639' ' ' VAL . . . . . . . . . . . . . 91.6 t -125.92 137.31 58.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.814 0.34 . . . . 0.0 111.209 -177.038 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 640' ' ' VAL . . . . . . . . . . . . . 30.4 m -124.84 154.49 32.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.229 175.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 641' ' ' SER . . . . . . . . . . . . . 33.4 t -105.34 123.36 47.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.162 176.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 642' ' ' VAL . . . . . 0.41 HG22 HG22 ' A' ' 673' ' ' VAL . 64.0 t -110.62 114.08 46.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.185 -179.126 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 643' ' ' LEU . . . . . . . . . . . . . 69.5 tp -111.28 114.02 26.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.184 -178.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 644' ' ' THR . . . . . 0.404 ' HB ' ' HB2' ' A' ' 648' ' ' LYS . 97.1 m -99.88 139.94 34.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.194 -178.754 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -50.27 126.86 15.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.233 -179.042 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 646' ' ' GLY . . . . . . . . . . . . . . . 118.47 10.17 8.85 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 -175.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 647' ' ' ASN . . . . . . . . . . . . . 53.0 t30 69.06 45.81 0.87 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.79 0.329 . . . . 0.0 111.162 -179.591 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 648' ' ' LYS . . . . . 0.404 ' HB2' ' HB ' ' A' ' 644' ' ' THR . 94.0 mttt -109.69 90.05 3.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.179 178.358 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 649' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -97.61 111.9 23.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.18 -175.414 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 650' ' ' THR . . . . . . . . . . . . . 71.6 p -125.95 167.29 15.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.21 175.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 651' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -128.84 145.46 51.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.201 178.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 85.9 mt -126.58 152.96 45.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.188 178.195 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -133.64 -177.66 4.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.191 -172.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 654' ' ' ASP . . . . . . . . . . . . . 66.6 t0 -43.01 124.14 3.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.191 179.027 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 655' ' ' GLY . . . . . . . . . . . . . . . 100.61 -5.4 56.91 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 172.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 656' ' ' SER . . . . . . . . . . . . . 74.1 m -98.08 175.85 5.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.806 0.336 . . . . 0.0 111.219 177.504 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 657' ' ' TYR . . . . . . . . . . . . . 30.2 p90 -150.76 168.18 25.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.212 -178.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 658' ' ' PHE . . . . . . . . . . . . . 42.8 p90 -161.02 159.89 29.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.217 178.474 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 659' ' ' GLY . . . . . 0.571 ' HA2' ' SG ' ' A' ' 662' ' ' CYS . . . 93.23 7.5 62.15 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 178.717 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 660' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -54.87 -50.16 69.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.79 0.328 . . . . 0.0 111.21 179.58 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 661' ' ' ILE . . . . . . . . . . . . . 95.1 mt -67.96 -32.86 58.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.19 -177.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 662' ' ' CYS . . . . . 0.571 ' SG ' ' HA2' ' A' ' 659' ' ' GLY . 78.6 m -54.66 -50.43 68.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.214 -176.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 663' ' ' LEU . . . . . . . . . . . . . 17.9 tp -80.02 -39.94 28.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.204 179.52 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 59.8 tp -53.26 -44.85 68.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.225 -179.522 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 665' ' ' THR . . . . . . . . . . . . . 45.3 p -101.51 -168.95 1.62 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.22 178.554 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 666' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -125.37 159.93 30.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.138 178.685 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 109.83 -171.83 15.34 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 178.34 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 92.0 mtm180 -80.64 155.09 27.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.81 0.338 . . . . 0.0 111.222 -178.473 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 669' ' ' ARG . . . . . 0.57 ' HE ' ' HB3' ' A' ' 662' ' ' CYS . 97.9 mtt180 -79.39 141.54 36.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.185 178.302 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 670' ' ' THR . . . . . . . . . . . . . 60.7 p -109.72 26.53 10.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.235 179.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 671' ' ' ALA . . . . . . . . . . . . . . . -150.79 151.02 31.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.229 -179.575 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 672' ' ' SER . . . . . . . . . . . . . 67.5 m -121.99 152.06 40.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.222 177.073 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 673' ' ' VAL . . . . . 0.41 HG22 HG22 ' A' ' 642' ' ' VAL . 58.6 t -135.04 132.98 53.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.253 -178.266 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 674' ' ' ARG . . . . . . . . . . . . . 58.6 ttp180 -134.96 133.8 39.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.199 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 675' ' ' ALA . . . . . . . . . . . . . . . -69.28 132.65 46.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.193 -177.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 676' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -86.57 -19.25 29.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.169 -175.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 14.0 t -152.33 -176.23 5.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.18 -178.668 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 678' ' ' TYR . . . . . . . . . . . . . 76.7 t80 -81.47 122.3 27.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.221 178.247 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 679' ' ' CYS . . . . . . . . . . . . . 30.9 p -166.46 -175.65 3.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.259 -175.358 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 680' ' ' ARG . . . . . . . . . . . . . 38.2 ttm180 -130.03 139.99 50.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.21 179.643 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 681' ' ' LEU . . . . . 0.435 HD21 HG12 ' A' ' 635' ' ' ILE . 4.6 mp -124.31 171.75 9.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.148 174.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 682' ' ' TYR . . . . . . . . . . . . . 51.4 p90 -146.15 147.85 31.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.188 173.155 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 683' ' ' SER . . . . . . . . . . . . . 88.7 p -138.36 161.99 35.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.23 -167.148 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 684' ' ' LEU . . . . . 0.443 ' CD2' HD23 ' A' ' 611' ' ' LEU . 61.3 mt -116.33 134.72 54.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.197 170.052 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 26.1 t -100.66 149.43 23.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.179 178.027 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 686' ' ' VAL . . . . . . . . . . . . . 7.6 p -52.94 -29.1 14.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.237 174.17 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 687' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -61.16 -43.82 98.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.192 175.437 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 688' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -66.67 -37.81 85.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.222 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 689' ' ' PHE . . . . . . . . . . . . . 37.0 m-85 -62.53 -46.17 89.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.205 175.164 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 690' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -59.97 -40.03 87.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.204 -179.508 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 691' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -55.64 -51.02 68.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.211 177.394 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 692' ' ' VAL . . . . . . . . . . . . . 65.8 t -66.76 -40.83 86.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.219 -178.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 693' ' ' LEU . . . . . . . . . . . . . 92.2 mt -63.9 -39.73 94.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.199 -177.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 694' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -76.27 -33.05 59.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.198 177.214 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 695' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -65.3 -41.27 94.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.186 -179.274 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 696' ' ' TYR . . . . . . . . . . . . . 86.8 m-85 -116.28 101.9 53.72 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.194 177.616 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 697' ' ' PRO . . . . . . . . . . . . . 80.6 Cg_exo -53.7 -32.3 64.67 Favored 'Trans proline' 0 N--CA 1.458 -0.592 0 C-N-CA 121.69 1.593 . . . . 0.0 111.177 -179.022 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 698' ' ' MET . . . . . . . . . . . . . 99.6 mmm -65.44 -35.8 82.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.189 178.384 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 699' ' ' MET . . . . . . . . . . . . . 67.3 mtt -80.11 -29.95 39.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.136 -179.722 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 700' ' ' ARG . . . . . . . . . . . . . 80.2 ttt180 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.203 -178.157 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 586' ' ' CYS . . . . . . . . . . . . . 19.3 p . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.779 0.323 . . . . 0.0 111.158 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 587' ' ' ARG . . . . . . . . . . . . . 58.6 ttp180 -46.55 -42.04 15.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.235 -177.045 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 588' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -62.09 -49.71 74.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.203 178.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 94.9 mt -62.43 -32.62 73.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.187 -177.001 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 590' ' ' VAL . . . . . . . . . . . . . 75.6 t -71.87 -50.1 40.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.212 175.26 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 591' ' ' ALA . . . . . . . . . . . . . . . -66.63 -22.06 66.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.196 -175.688 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 53.2 p -65.86 -19.6 65.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.203 -179.579 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 593' ' ' MET . . . . . . . . . . . . . 97.4 mmm -79.85 138.4 53.84 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.199 177.236 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 70.0 Cg_exo -52.44 -40.37 71.62 Favored 'Trans proline' 0 N--CA 1.457 -0.628 0 C-N-CA 121.674 1.583 . . . . 0.0 111.214 -174.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 595' ' ' LEU . . . . . . . . . . . . . 65.7 tp -50.64 -44.38 57.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.234 -179.04 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 596' ' ' PHE . . . . . . . . . . . . . 99.8 m-85 -94.75 -25.3 16.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.189 -172.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 597' ' ' ALA . . . . . . . . . . . . . . . -60.5 -39.26 87.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.194 174.68 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 598' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -92.99 10.57 30.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.239 -179.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 599' ' ' ALA . . . . . . . . . . . . . . . -106.56 155.97 19.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.182 178.566 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 600' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -60.68 132.14 91.29 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.199 178.169 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 601' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_exo -53.32 -34.47 70.63 Favored 'Trans proline' 0 N--CA 1.458 -0.599 0 C-N-CA 121.681 1.587 . . . . 0.0 111.189 -179.182 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 602' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -67.04 -29.77 69.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.19 -178.157 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 603' ' ' PHE . . . . . . . . . . . . . 20.6 m-30 -86.95 -33.35 19.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.163 179.751 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 604' ' ' VAL . . . . . . . . . . . . . 76.9 t -60.24 -47.01 93.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.204 176.368 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 605' ' ' THR . . . . . . . . . . . . . 76.5 p -70.97 -19.92 62.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.212 -179.196 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 606' ' ' SER . . . . . . . . . . . . . 58.3 m -79.43 -37.89 36.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.203 175.461 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 90.9 mmm -64.86 -20.18 66.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.22 179.15 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 608' ' ' LEU . . . . . . . . . . . . . 90.2 mt -57.26 -27.18 61.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.213 176.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 609' ' ' THR . . . . . . . . . . . . . 82.0 p -95.46 7.18 46.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.187 -179.301 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 610' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -121.75 -24.22 5.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.213 178.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 611' ' ' LEU . . . . . . . . . . . . . 83.5 mt -77.92 153.16 32.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.201 178.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 612' ' ' ARG . . . . . . . . . . . . . 80.8 mtp180 -124.86 167.91 13.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.195 -178.527 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 613' ' ' PHE . . . . . . . . . . . . . 47.9 p90 -134.45 159.86 39.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.233 174.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -140.0 133.74 30.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.203 -177.038 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 615' ' ' VAL . . . . . 0.424 HG22 ' HE ' ' A' ' 680' ' ' ARG . 98.3 t -97.07 143.9 11.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.172 176.841 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 616' ' ' PHE . . . . . 0.644 ' HB2' ' SG ' ' A' ' 679' ' ' CYS . 97.7 m-85 -136.58 150.03 48.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.184 -176.736 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 617' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 -112.48 163.42 17.86 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.18 -177.215 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 618' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_exo -53.12 123.18 12.59 Favored 'Trans proline' 0 N--CA 1.458 -0.59 0 C-N-CA 121.703 1.602 . . . . 0.0 111.188 178.351 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 619' ' ' GLY . . . . . . . . . . . . . . . 94.97 -12.16 68.78 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 176.031 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 620' ' ' ASP . . . . . . . . . . . . . 64.5 t0 -73.69 123.43 24.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.819 0.342 . . . . 0.0 111.161 -178.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 621' ' ' TYR . . . . . . . . . . . . . 63.8 m-85 -73.55 143.25 46.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.155 179.169 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 622' ' ' ILE . . . . . . . . . . . . . 58.9 mt -114.76 -46.3 4.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.192 -178.082 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 623' ' ' ILE . . . . . . . . . . . . . 70.5 mt -131.81 137.6 54.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.259 -179.525 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -111.76 125.45 54.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.233 175.731 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 625' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -62.06 135.84 57.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.213 178.064 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 626' ' ' GLY . . . . . . . . . . . . . . . 98.69 -18.17 57.29 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 176.004 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 627' ' ' THR . . . . . . . . . . . . . 44.2 p -90.63 165.47 13.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.826 0.346 . . . . 0.0 111.178 -178.209 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 628' ' ' ILE . . . . . . . . . . . . . 47.6 mm -95.72 110.45 24.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.197 -178.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 629' ' ' GLY . . . . . . . . . . . . . . . -135.38 136.41 8.48 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 176.244 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 630' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -119.39 38.66 3.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.775 0.322 . . . . 0.0 111.168 -175.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 631' ' ' LYS . . . . . 0.476 ' O ' ' NH2' ' A' ' 669' ' ' ARG . 99.4 mttt -125.68 127.96 47.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.186 -179.396 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 632' ' ' MET . . . . . . . . . . . . . 64.2 ttp -101.18 128.98 47.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.191 169.098 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 633' ' ' TYR . . . . . . . . . . . . . 78.8 m-85 -105.38 128.03 53.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.168 -172.739 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 634' ' ' PHE . . . . . . . . . . . . . 85.5 t80 -100.56 130.76 46.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.21 172.575 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 635' ' ' ILE . . . . . . . . . . . . . 68.7 mt -85.33 110.91 20.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.236 -174.108 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 -79.15 -39.89 32.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.209 176.349 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 637' ' ' HIS . . . . . . . . . . . . . 32.7 p80 -168.41 151.69 5.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.177 175.748 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 638' ' ' GLY . . . . . . . . . . . . . . . 104.06 175.65 25.51 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 -177.656 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 639' ' ' VAL . . . . . . . . . . . . . 92.7 t -122.68 133.25 69.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.79 0.328 . . . . 0.0 111.231 -174.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 640' ' ' VAL . . . . . . . . . . . . . 33.1 m -124.55 158.88 31.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.256 175.047 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 641' ' ' SER . . . . . . . . . . . . . 33.8 t -113.65 124.98 53.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.169 177.707 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 642' ' ' VAL . . . . . . . . . . . . . 81.5 t -112.71 119.69 61.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.186 -177.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 643' ' ' LEU . . . . . . . . . . . . . 66.6 tp -112.73 110.92 21.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.18 178.173 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 644' ' ' THR . . . . . . . . . . . . . 18.4 p -105.3 164.81 11.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.148 -172.746 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -52.22 157.18 1.45 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.177 167.366 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 646' ' ' GLY . . . . . . . . . . . . . . . 84.97 5.41 86.14 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 -171.151 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 647' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 59.91 50.02 7.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.766 0.317 . . . . 0.0 111.187 -179.242 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 648' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -115.74 115.62 26.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.2 -176.041 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 649' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -111.74 115.63 29.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.233 -177.082 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 650' ' ' THR . . . . . . . . . . . . . 72.6 p -130.0 166.05 20.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.19 179.335 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 651' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -122.48 144.24 49.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.205 176.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 85.9 mt -126.2 151.71 47.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.23 -178.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -140.31 -171.93 3.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.221 -176.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 654' ' ' ASP . . . . . . . . . . . . . 67.6 t0 -42.23 122.37 2.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.181 -179.445 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 655' ' ' GLY . . . . . . . . . . . . . . . 108.03 -16.55 35.94 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 173.61 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 656' ' ' SER . . . . . . . . . . . . . 70.5 m -97.2 174.36 6.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.783 0.325 . . . . 0.0 111.222 178.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 657' ' ' TYR . . . . . . . . . . . . . 51.9 p90 -151.52 165.04 35.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.232 178.547 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 658' ' ' PHE . . . . . . . . . . . . . 53.7 p90 -154.44 170.0 22.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.235 -178.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 659' ' ' GLY . . . . . 0.437 ' O ' ' SG ' ' A' ' 662' ' ' CYS . . . 88.98 14.27 61.01 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 -179.501 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 660' ' ' GLU . . . . . . . . . . . . . 24.8 pm0 -69.42 -10.1 56.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.782 0.325 . . . . 0.0 111.173 -179.269 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 661' ' ' ILE . . . . . . . . . . . . . 11.2 tp -58.96 -23.25 23.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.212 174.595 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 662' ' ' CYS . . . . . 0.437 ' SG ' ' O ' ' A' ' 659' ' ' GLY . 28.2 p -65.1 -19.98 66.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.174 178.212 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 663' ' ' LEU . . . . . . . . . . . . . 70.5 mt -93.02 -7.17 46.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.241 179.113 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 81.1 mt -109.94 -29.19 8.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.206 -174.719 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 665' ' ' THR . . . . . . . . . . . . . 34.7 p -115.39 -179.76 3.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.196 -179.339 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 666' ' ' ARG . . . . . . . . . . . . . 16.5 ptm180 -69.04 -10.18 56.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.223 175.231 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 139.19 -15.25 3.25 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 -177.095 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 63.7 ttm-85 -60.1 119.97 8.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.793 0.33 . . . . 0.0 111.234 177.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 669' ' ' ARG . . . . . 0.476 ' NH2' ' O ' ' A' ' 631' ' ' LYS . 23.4 mmt180 -79.99 127.49 32.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.171 179.642 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 670' ' ' THR . . . . . . . . . . . . . 76.3 p -101.3 22.71 12.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.201 179.511 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 671' ' ' ALA . . . . . . . . . . . . . . . -156.55 151.39 26.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.138 -178.505 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 672' ' ' SER . . . . . . . . . . . . . 57.9 m -110.92 132.2 54.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.203 170.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 673' ' ' VAL . . . . . . . . . . . . . 59.5 t -125.88 131.15 72.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.194 -173.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 674' ' ' ARG . . . . . . . . . . . . . 59.7 ttp180 -134.57 138.04 44.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.253 177.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 675' ' ' ALA . . . . . . . . . . . . . . . -70.12 132.91 46.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.236 -178.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 676' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -92.85 -38.33 11.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.235 178.667 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 44.6 p -130.19 165.67 21.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.188 175.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 678' ' ' TYR . . . . . . . . . . . . . 79.3 t80 -55.51 118.28 4.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.171 174.531 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 679' ' ' CYS . . . . . 0.644 ' SG ' ' HB2' ' A' ' 616' ' ' PHE . 31.5 p -142.37 164.71 29.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.192 -167.429 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 680' ' ' ARG . . . . . 0.424 ' HE ' HG22 ' A' ' 615' ' ' VAL . 41.7 ttm180 -132.51 130.15 40.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.211 175.335 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 681' ' ' LEU . . . . . . . . . . . . . 62.5 mt -117.22 149.94 39.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.241 -175.574 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 682' ' ' TYR . . . . . . . . . . . . . 15.3 m-30 -100.07 128.84 46.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.187 171.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 683' ' ' SER . . . . . . . . . . . . . 35.2 t -94.56 111.03 22.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.217 -172.079 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 684' ' ' LEU . . . . . . . . . . . . . 60.2 tp -116.04 102.04 9.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.2 174.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 83.2 p -86.53 164.21 17.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.192 -172.395 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 686' ' ' VAL . . . . . . . . . . . . . 75.2 t -61.53 -34.55 62.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.176 173.213 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 687' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -61.32 -40.05 92.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.194 173.513 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 688' ' ' ASN . . . . . . . . . . . . . 97.1 m-20 -69.47 -35.56 75.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.187 178.157 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 689' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -55.11 -51.59 65.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.201 168.664 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 690' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -59.59 -39.97 85.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.213 178.03 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 691' ' ' GLU . . . . . . . . . . . . . 53.5 tp10 -63.35 -60.06 3.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.234 -174.761 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 692' ' ' VAL . . . . . . . . . . . . . 9.5 p -62.58 -31.44 52.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.174 -175.037 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 693' ' ' LEU . . . . . . . . . . . . . 94.9 mt -78.97 -33.07 45.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.2 179.725 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 694' ' ' GLU . . . . . 0.508 ' HA ' ' HE ' ' A' ' 700' ' ' ARG . 88.8 tt0 -70.0 -33.82 72.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.179 177.405 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 695' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -56.81 -39.39 74.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.255 178.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 696' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -108.1 106.53 58.78 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.191 175.181 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 697' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -54.01 -31.72 65.31 Favored 'Trans proline' 0 N--CA 1.458 -0.599 0 C-N-CA 121.734 1.622 . . . . 0.0 111.192 -174.736 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 698' ' ' MET . . . . . . . . . . . . . 99.7 mmm -66.88 -29.62 69.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.243 -178.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 699' ' ' MET . . . . . . . . . . . . . 98.9 mmm -100.14 -14.4 18.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.196 -178.765 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 700' ' ' ARG . . . . . 0.508 ' HE ' ' HA ' ' A' ' 694' ' ' GLU . 40.4 ttm180 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.214 178.001 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 586' ' ' CYS . . . . . . . . . . . . . 71.2 m . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.782 0.325 . . . . 0.0 111.234 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 587' ' ' ARG . . . . . . . . . . . . . 42.8 ttm180 -59.84 -36.09 76.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.179 176.452 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 588' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -56.79 -47.97 78.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.207 173.701 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 95.9 mt -62.62 -41.95 99.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.189 -178.338 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 590' ' ' VAL . . . . . . . . . . . . . 53.8 t -62.81 -50.09 81.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.209 177.307 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 591' ' ' ALA . . . . . . . . . . . . . . . -64.89 -33.81 76.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.249 -176.2 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 60.1 p -67.9 -21.71 65.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.238 -176.652 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 593' ' ' MET . . . . . . . . . . . . . 11.9 tpt -60.15 118.09 29.9 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.214 -178.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_exo -55.64 -41.92 72.84 Favored 'Trans proline' 0 N--CA 1.458 -0.568 0 C-N-CA 121.69 1.593 . . . . 0.0 111.17 -175.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 595' ' ' LEU . . . . . . . . . . . . . 95.6 mt -74.23 -20.44 60.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.243 -172.617 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 596' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -129.96 24.94 5.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.217 -177.063 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 597' ' ' ALA . . . . . . . . . . . . . . . -66.25 -25.51 66.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.206 177.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 598' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -110.02 20.06 18.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.16 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 599' ' ' ALA . . . . . . . . . . . . . . . -66.51 149.83 49.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.172 178.654 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 600' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -62.01 150.08 84.35 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.215 179.604 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 601' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_exo -51.37 -35.8 55.56 Favored 'Trans proline' 0 N--CA 1.457 -0.625 0 C-N-CA 121.71 1.606 . . . . 0.0 111.245 175.555 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 602' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -66.1 -44.81 83.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.188 177.456 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 603' ' ' PHE . . . . . . . . . . . . . 11.3 m-30 -55.48 -47.71 75.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.183 175.034 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 604' ' ' VAL . . . . . . . . . . . . . 65.8 t -55.45 -51.76 53.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.21 179.646 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 605' ' ' THR . . . . . . . . . . . . . 96.4 m -56.09 -48.73 75.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.218 178.078 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 606' ' ' SER . . . . . . . . . . . . . 73.9 m -56.85 -43.13 80.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.162 -178.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 98.0 mtp -60.89 -47.01 88.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.16 175.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 608' ' ' LEU . . . . . . . . . . . . . 93.0 mt -58.15 -34.36 70.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.224 -177.573 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 609' ' ' THR . . . . . . . . . . . . . 71.0 p -85.0 -4.8 59.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.229 -178.21 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 610' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -110.16 -12.72 14.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.215 178.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 611' ' ' LEU . . . . . 0.454 HD23 ' HB2' ' A' ' 684' ' ' LEU . 60.0 mt -58.75 141.81 51.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.175 175.482 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 612' ' ' ARG . . . . . . . . . . . . . 52.9 ttt85 -116.07 120.02 37.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.229 175.142 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 613' ' ' PHE . . . . . . . . . . . . . 49.9 t80 -79.45 120.03 23.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.221 -177.441 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -133.51 132.07 40.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.21 177.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 615' ' ' VAL . . . . . . . . . . . . . 99.3 t -101.6 139.9 21.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.209 178.371 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 616' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -127.81 140.05 52.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.219 -178.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 617' ' ' GLN . . . . . . . . . . . . . 62.3 mt-30 -99.97 160.8 26.23 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.202 179.016 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 618' ' ' PRO . . . . . . . . . . . . . 80.4 Cg_exo -50.02 125.81 15.56 Favored 'Trans proline' 0 N--CA 1.458 -0.615 0 C-N-CA 121.688 1.592 . . . . 0.0 111.211 176.368 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 619' ' ' GLY . . . . . . . . . . . . . . . 100.4 -19.12 54.01 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 176.62 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 620' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -69.59 139.5 53.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.745 0.307 . . . . 0.0 111.201 -178.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 621' ' ' TYR . . . . . . . . . . . . . 57.3 m-85 -98.92 140.08 33.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.225 177.366 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 622' ' ' ILE . . . . . . . . . . . . . 4.2 mp -93.54 -39.98 11.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.195 172.664 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 623' ' ' ILE . . . . . . . . . . . . . 19.5 tt -151.59 149.47 13.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.192 172.7 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 96.8 mtt-85 -112.63 154.52 25.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.213 -179.458 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 625' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -59.92 119.61 8.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.172 177.727 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 626' ' ' GLY . . . . . . . . . . . . . . . 100.33 -5.96 57.61 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 -179.676 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 627' ' ' THR . . . . . . . . . . . . . 91.6 m -85.2 138.86 32.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.809 0.338 . . . . 0.0 111.2 177.182 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 628' ' ' ILE . . . . . 0.405 ' HA ' ' HA ' ' A' ' 668' ' ' ARG . 97.3 mt -72.28 119.73 19.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.215 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 629' ' ' GLY . . . . . . . . . . . . . . . -111.23 156.86 15.31 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 177.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 630' ' ' LYS . . . . . 0.428 ' HB2' ' HD2' ' A' ' 666' ' ' ARG . 63.7 pttt -161.75 20.26 0.11 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.789 0.328 . . . . 0.0 111.235 179.156 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 631' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -135.05 154.79 51.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.19 -177.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 632' ' ' MET . . . . . . . . . . . . . 60.2 mtp -108.07 140.19 41.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.196 172.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 633' ' ' TYR . . . . . . . . . . . . . 77.2 m-85 -117.58 121.93 42.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.196 -177.437 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 634' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -103.43 131.05 50.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.196 176.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 635' ' ' ILE . . . . . . . . . . . . . 77.3 mt -92.74 105.06 16.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.222 -173.717 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 25.1 tm0? -75.35 -30.12 60.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.2 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 637' ' ' HIS . . . . . . . . . . . . . 81.9 t60 -170.06 140.11 1.93 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.245 179.218 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 638' ' ' GLY . . . . . . . . . . . . . . . 113.49 174.4 18.89 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 177.03 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 639' ' ' VAL . . . . . . . . . . . . . 95.2 t -113.08 132.0 63.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.775 0.321 . . . . 0.0 111.151 -177.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 640' ' ' VAL . . . . . . . . . . . . . 96.6 t -131.99 134.24 60.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.194 179.472 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 641' ' ' SER . . . . . . . . . . . . . 58.8 m -97.3 131.4 44.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.185 179.57 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 642' ' ' VAL . . . . . . . . . . . . . 89.0 t -116.0 106.13 19.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.218 176.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 643' ' ' LEU . . . . . . . . . . . . . 68.4 tp -98.22 112.27 24.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.183 -179.192 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 644' ' ' THR . . . . . . . . . . . . . 97.9 m -98.12 138.12 35.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.244 -177.706 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 89.0 tttt -55.55 119.82 6.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.193 -176.082 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 646' ' ' GLY . . . . . . . . . . . . . . . 74.93 15.11 81.14 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 173.397 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 647' ' ' ASN . . . . . . . . . . . . . 65.6 m-80 -135.09 159.93 39.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.847 0.356 . . . . 0.0 111.171 -177.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 648' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -65.46 137.83 57.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.161 179.479 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 649' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -64.69 132.48 49.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.203 178.365 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 650' ' ' THR . . . . . . . . . . . . . 99.7 m -101.34 129.2 47.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.15 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 651' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -93.72 119.96 33.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.18 178.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 77.4 mt -112.13 149.66 31.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.196 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -138.57 -168.49 2.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.161 -175.46 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 654' ' ' ASP . . . . . . . . . . . . . 63.1 t0 -53.85 118.06 3.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.235 177.151 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 655' ' ' GLY . . . . . . . . . . . . . . . 104.17 -4.8 45.01 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 179.045 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 656' ' ' SER . . . . . . . . . . . . . 50.3 m -93.27 174.26 7.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.823 0.344 . . . . 0.0 111.196 178.422 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 657' ' ' TYR . . . . . . . . . . . . . 37.5 p90 -155.63 166.88 32.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.214 177.352 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 658' ' ' PHE . . . . . . . . . . . . . 51.8 p90 -155.1 175.1 14.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.19 176.506 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 659' ' ' GLY . . . . . 0.509 ' O ' ' HB2' ' A' ' 662' ' ' CYS . . . 93.5 4.17 64.24 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 111.244 -0.743 . . . . 0.0 111.244 -179.033 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 660' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -57.64 -32.14 66.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.804 0.335 . . . . 0.0 111.233 179.686 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 661' ' ' ILE . . . . . . . . . . . . . 11.0 tp -59.91 -27.31 38.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.195 178.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 662' ' ' CYS . . . . . 0.509 ' HB2' ' O ' ' A' ' 659' ' ' GLY . 99.8 m -75.24 -37.11 61.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.184 178.763 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 663' ' ' LEU . . . . . . . . . . . . . 55.0 tp -62.52 -39.76 94.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.174 173.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 66.3 tp -60.84 -58.76 7.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.195 173.221 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 665' ' ' THR . . . . . . . . . . . . . 86.4 m -146.95 119.55 8.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.202 176.671 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 666' ' ' ARG . . . . . 0.517 ' HD3' ' HB ' ' A' ' 686' ' ' VAL . 91.3 mtm180 -72.75 154.72 40.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.217 179.372 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 133.97 -163.96 24.48 Favored Glycine 0 CA--C 1.523 0.546 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 179.425 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 668' ' ' ARG . . . . . 0.405 ' HA ' ' HA ' ' A' ' 628' ' ' ILE . 88.8 mtm180 -63.74 121.58 14.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.801 0.334 . . . . 0.0 111.146 -176.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 78.2 ttt180 -94.2 130.68 40.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.214 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 670' ' ' THR . . . . . . . . . . . . . 33.6 p -87.69 57.54 4.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.244 -179.537 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 671' ' ' ALA . . . . . . . . . . . . . . . -161.42 149.62 15.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.155 -178.354 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 672' ' ' SER . . . . . . . . . . . . . 71.3 m -117.91 131.32 56.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.213 175.721 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 673' ' ' VAL . . . . . . . . . . . . . 67.1 t -119.86 123.07 70.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.187 -175.645 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 674' ' ' ARG . . . . . . . . . . . . . 60.9 ttp180 -130.94 131.36 44.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.205 -174.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 675' ' ' ALA . . . . . 0.427 ' HB1' ' SG ' ' A' ' 679' ' ' CYS . . . -72.71 142.87 48.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.224 177.402 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 676' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -106.31 -33.96 7.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.181 -178.742 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 31.7 p -124.96 -177.19 3.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.221 179.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 678' ' ' TYR . . . . . . . . . . . . . 81.2 t80 -59.95 99.99 0.08 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.176 169.433 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 679' ' ' CYS . . . . . 0.427 ' SG ' ' HB1' ' A' ' 675' ' ' ALA . 82.7 m -107.66 137.34 45.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.144 -169.26 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 680' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -115.27 107.26 15.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.228 173.401 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 681' ' ' LEU . . . . . . . . . . . . . 8.1 mp -111.45 150.22 30.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.173 -173.562 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 682' ' ' TYR . . . . . . . . . . . . . 87.5 m-85 -117.89 119.06 33.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.206 171.071 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 683' ' ' SER . . . . . . . . . . . . . 40.5 t -94.26 140.12 30.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.184 -176.638 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 684' ' ' LEU . . . . . 0.454 ' HB2' HD23 ' A' ' 611' ' ' LEU . 39.7 tp -139.49 120.7 14.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.229 173.551 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 59.7 p -73.73 155.4 38.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.196 -172.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 686' ' ' VAL . . . . . 0.517 ' HB ' ' HD3' ' A' ' 666' ' ' ARG . 66.9 t -60.51 -36.76 71.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.218 174.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 687' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -56.77 -43.94 81.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.209 173.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 688' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -66.63 -40.06 88.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.188 178.53 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 689' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -54.92 -43.93 73.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.245 174.044 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 690' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -64.46 -44.58 90.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.164 178.419 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 691' ' ' GLU . . . . . . . . . . . . . 64.4 mt-10 -56.91 -41.63 78.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.193 179.487 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 692' ' ' VAL . . . . . . . . . . . . . 69.0 t -70.19 -54.93 16.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.182 -179.632 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 693' ' ' LEU . . . . . . . . . . . . . 43.7 tp -63.73 -35.37 80.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.197 -172.36 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 694' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -85.86 -6.68 59.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.193 -177.266 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 695' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -56.74 -41.84 78.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.178 179.519 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 696' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -110.01 107.54 58.87 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.174 173.522 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 697' ' ' PRO . . . . . . . . . . . . . 79.3 Cg_exo -54.88 -34.84 87.22 Favored 'Trans proline' 0 N--CA 1.459 -0.549 0 C-N-CA 121.71 1.607 . . . . 0.0 111.174 -174.291 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 698' ' ' MET . . . . . . . . . . . . . 99.9 mmm -63.07 -29.63 70.96 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.15 -178.155 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 699' ' ' MET . . . . . . . . . . . . . 97.8 mmm -100.05 -2.67 33.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.188 -179.437 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 700' ' ' ARG . . . . . . . . . . . . . 78.6 ttt-85 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.19 -179.329 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 577' ' ' ASN . . . . . . . . . . . . . 96.9 m-20 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.789 0.328 . . . . 0.0 111.208 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 578' ' ' SER . . . . . . . . . . . . . 75.6 m -91.32 149.93 21.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.221 179.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 579' ' ' GLU . . . . . 0.5 ' HG2' ' HD3' ' A' ' 612' ' ' ARG . 92.7 mt-10 -137.07 49.99 2.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.211 -178.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 580' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -78.19 163.12 26.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.213 -178.035 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 581' ' ' ILE . . . . . . . . . . . . . 49.7 pt -66.8 159.21 4.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.194 175.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 47.9 pt -107.02 158.93 6.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.217 -173.619 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 583' ' ' ASN . . . . . 0.57 ' O ' ' SG ' ' A' ' 586' ' ' CYS . 75.6 m-20 -76.2 172.7 12.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.211 175.621 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 584' ' ' PHE . . . . . . . . . . . . . 77.2 m-85 -80.65 160.39 25.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.19 178.252 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 585' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 60.0 48.86 8.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.184 177.272 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 586' ' ' CYS . . . . . 0.57 ' SG ' ' O ' ' A' ' 583' ' ' ASN . 74.3 m -100.46 -4.45 28.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.212 175.517 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 587' ' ' ARG . . . . . . . . . . . . . 63.8 ttm-85 -56.84 -46.61 81.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.199 179.094 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 588' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -64.88 -32.86 74.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.175 -179.316 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 93.6 mt -67.36 -45.07 77.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.184 179.317 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 590' ' ' VAL . . . . . . . . . . . . . 62.2 t -64.18 -42.27 94.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.173 175.505 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 591' ' ' ALA . . . . . . . . . . . . . . . -75.96 -1.0 23.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.191 -176.328 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 74.0 m -60.4 -29.23 68.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.208 174.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 593' ' ' MET . . . . . . . . . . . . . 27.5 ttt -77.75 130.63 72.88 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.183 175.408 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_exo -52.44 -42.75 59.22 Favored 'Trans proline' 0 N--CA 1.458 -0.573 0 C-N-CA 121.689 1.592 . . . . 0.0 111.197 -178.139 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 595' ' ' LEU . . . . . . . . . . . . . 65.3 tp -60.79 -47.45 86.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.213 179.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 596' ' ' PHE . . . . . . . . . . . . . 11.5 m-30 -74.0 -21.57 59.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.218 -176.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 597' ' ' ALA . . . . . . . . . . . . . . . -71.88 -39.94 69.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.153 171.521 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 598' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -68.28 -32.35 72.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.23 175.009 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 599' ' ' ALA . . . . . . . . . . . . . . . -61.45 146.63 47.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.157 174.448 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 600' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -72.09 153.54 92.59 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.17 -176.295 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 601' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_exo -53.06 -29.4 44.8 Favored 'Trans proline' 0 N--CA 1.458 -0.595 0 C-N-CA 121.708 1.606 . . . . 0.0 111.223 179.532 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 602' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -64.67 -35.61 81.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.196 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 603' ' ' PHE . . . . . . . . . . . . . 80.4 m-85 -80.78 -37.65 29.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.199 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 604' ' ' VAL . . . . . . . . . . . . . 75.1 t -62.22 -44.31 98.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.187 177.064 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 605' ' ' THR . . . . . . . . . . . . . 97.0 m -54.79 -47.23 74.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.197 174.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 606' ' ' SER . . . . . . . . . . . . . 74.1 m -59.5 -42.2 91.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.204 178.649 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 65.9 mtt -57.99 -42.37 84.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.211 175.16 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 608' ' ' LEU . . . . . . . . . . . . . 91.7 mt -62.91 -41.64 99.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.253 -179.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 609' ' ' THR . . . . . . . . . . . . . 66.9 p -73.82 -22.24 59.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.197 -178.18 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 610' ' ' LYS . . . . . . . . . . . . . 65.4 mttm -99.65 3.35 45.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.261 174.048 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 611' ' ' LEU . . . . . . . . . . . . . 25.8 tp -70.09 127.19 31.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.221 -174.151 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 612' ' ' ARG . . . . . 0.5 ' HD3' ' HG2' ' A' ' 579' ' ' GLU . 99.2 mtt180 -100.81 124.14 46.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.205 -179.501 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 613' ' ' PHE . . . . . . . . . . . . . 18.4 t80 -90.33 120.39 31.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.208 179.46 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -121.3 131.55 54.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.249 -176.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 615' ' ' VAL . . . . . . . . . . . . . 97.0 t -102.44 141.39 18.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.193 177.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 616' ' ' PHE . . . . . 0.494 ' HB2' ' SG ' ' A' ' 679' ' ' CYS . 98.0 m-85 -136.89 146.11 45.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.238 -177.55 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 617' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -111.08 164.72 14.24 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.187 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 618' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_exo -51.72 127.5 23.06 Favored 'Trans proline' 0 N--CA 1.458 -0.583 0 C-N-CA 121.694 1.596 . . . . 0.0 111.212 179.337 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 619' ' ' GLY . . . . . . . . . . . . . . . 98.4 -17.63 58.22 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 175.6 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 620' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -70.34 138.39 51.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.779 0.323 . . . . 0.0 111.207 -177.732 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 621' ' ' TYR . . . . . . . . . . . . . 60.8 m-85 -91.79 139.27 30.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.188 173.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 622' ' ' ILE . . . . . . . . . . . . . 5.2 mp -103.08 -45.67 10.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.181 178.686 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 623' ' ' ILE . . . . . . . . . . . . . 93.7 mt -135.93 137.22 49.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.176 172.459 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 96.7 mtt-85 -110.05 149.05 30.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.202 -178.102 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 625' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -70.43 133.29 46.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.156 178.207 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 626' ' ' GLY . . . . . . . . . . . . . . . 96.82 6.03 58.33 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.169 -0.773 . . . . 0.0 111.169 178.218 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 627' ' ' THR . . . . . . . . . . . . . 44.7 p -107.73 152.48 24.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.794 0.33 . . . . 0.0 111.197 176.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 628' ' ' ILE . . . . . . . . . . . . . 46.8 mm -63.29 118.23 5.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.237 -177.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 629' ' ' GLY . . . . . . . . . . . . . . . -93.21 137.87 13.83 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 179.709 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 630' ' ' LYS . . . . . . . . . . . . . 64.1 pttt -171.47 26.77 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.82 0.343 . . . . 0.0 111.21 -179.607 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 631' ' ' LYS . . . . . . . . . . . . . 57.5 pttt -148.99 160.16 43.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.215 -176.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 632' ' ' MET . . . . . . . . . . . . . 38.7 ttm -136.74 144.75 43.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.218 179.186 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 633' ' ' TYR . . . . . . . . . . . . . 81.4 m-85 -118.97 129.45 55.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.194 -176.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 634' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -104.0 134.56 47.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.254 172.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 635' ' ' ILE . . . . . . . . . . . . . 75.4 mt -89.94 110.01 21.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.233 -169.268 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 67.8 tp60 -69.5 -49.9 50.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.194 172.658 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 637' ' ' HIS . . . . . . . . . . . . . 30.4 p80 -162.36 161.74 27.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.225 176.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 638' ' ' GLY . . . . . . . . . . . . . . . 100.67 175.07 29.6 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 111.237 -0.745 . . . . 0.0 111.237 178.615 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 639' ' ' VAL . . . . . . . . . . . . . 92.1 t -119.34 129.25 75.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.825 0.345 . . . . 0.0 111.2 -176.298 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 640' ' ' VAL . . . . . . . . . . . . . 34.3 m -122.94 159.86 26.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.228 176.286 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 641' ' ' SER . . . . . . . . . . . . . 41.3 t -122.6 123.93 42.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.203 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 642' ' ' VAL . . . . . . . . . . . . . 70.4 t -107.34 126.77 63.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.184 179.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 643' ' ' LEU . . . . . . . . . . . . . 67.2 tp -120.81 119.63 33.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.198 179.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 644' ' ' THR . . . . . . . . . . . . . 96.4 m -107.32 139.14 42.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.199 -177.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -54.55 118.95 4.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.21 -175.406 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 646' ' ' GLY . . . . . . . . . . . . . . . 74.78 15.62 80.71 Favored Glycine 0 CA--C 1.523 0.537 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 172.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 647' ' ' ASN . . . . . . . . . . . . . 61.0 m-80 -131.63 158.13 41.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.807 0.337 . . . . 0.0 111.225 -177.515 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 648' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -64.76 137.89 58.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.228 -178.226 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 649' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -68.95 138.9 54.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.19 178.201 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 650' ' ' THR . . . . . . . . . . . . . 94.2 m -130.85 137.29 49.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.204 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 651' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -108.18 147.73 30.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.185 -177.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 81.1 mt -131.38 155.66 46.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.224 -176.522 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -139.33 -167.89 2.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.235 -174.259 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 654' ' ' ASP . . . . . . . . . . . . . 64.5 t0 -51.9 124.14 11.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.193 -178.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 655' ' ' GLY . . . . . . . . . . . . . . . 102.24 -9.96 56.42 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.201 -0.759 . . . . 0.0 111.201 175.171 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 656' ' ' SER . . . . . . . . . . . . . 69.2 m -98.09 179.96 4.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.778 0.323 . . . . 0.0 111.223 176.373 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 657' ' ' TYR . . . . . . . . . . . . . 47.2 p90 -157.56 164.14 37.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.188 178.013 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 658' ' ' PHE . . . . . 0.457 ' CE1' HG11 ' A' ' 673' ' ' VAL . 52.8 p90 -146.89 161.08 41.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.202 179.581 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 659' ' ' GLY . . . . . 0.434 ' O ' ' HB3' ' A' ' 662' ' ' CYS . . . 120.61 7.75 8.71 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 -176.486 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 660' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -61.0 -46.5 90.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.828 0.347 . . . . 0.0 111.21 175.204 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 661' ' ' ILE . . . . . 0.428 HG22 ' HG3' ' A' ' 669' ' ' ARG . 97.0 mt -68.59 -35.77 71.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.241 174.22 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 662' ' ' CYS . . . . . 0.434 ' HB3' ' O ' ' A' ' 659' ' ' GLY . 36.5 t -57.73 -46.22 84.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.217 178.557 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 663' ' ' LEU . . . . . 0.481 ' O ' ' OXT' ' A' ' 707' ' ' ALA . 94.3 mt -74.67 -39.59 61.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.197 178.255 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 67.3 tp -54.58 -48.09 72.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.197 179.417 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 665' ' ' THR . . . . . . . . . . . . . 93.2 m -91.17 107.63 19.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.197 178.422 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 666' ' ' ARG . . . . . 0.532 ' NH2' ' O ' ' A' ' 706' ' ' VAL . 99.4 mtt180 -71.38 -22.63 61.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.211 -175.624 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . -91.22 -136.98 7.14 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 176.519 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 90.0 mtm180 -79.64 127.31 32.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.815 0.341 . . . . 0.0 111.196 -178.22 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 669' ' ' ARG . . . . . 0.428 ' HG3' HG22 ' A' ' 661' ' ' ILE . 76.6 ttt180 -71.96 142.56 49.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.186 -178.02 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 670' ' ' THR . . . . . . . . . . . . . 40.5 p -98.82 39.77 1.24 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.19 178.14 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 671' ' ' ALA . . . . . . . . . . . . . . . -158.54 161.44 37.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.169 -179.012 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 672' ' ' SER . . . . . . . . . . . . . 92.1 p -137.65 165.5 26.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.166 178.131 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 673' ' ' VAL . . . . . 0.457 HG11 ' CE1' ' A' ' 658' ' ' PHE . 4.4 p -151.47 138.79 13.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.211 -179.561 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 674' ' ' ARG . . . . . . . . . . . . . 38.1 ptt180 -141.9 158.54 43.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.19 179.673 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 675' ' ' ALA . . . . . . . . . . . . . . . -84.82 130.8 34.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.196 -175.349 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 676' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -90.61 -33.12 15.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.221 174.319 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 44.2 p -133.14 165.3 25.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.215 172.133 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 678' ' ' TYR . . . . . . . . . . . . . 87.7 t80 -53.06 123.77 12.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.202 177.355 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 679' ' ' CYS . . . . . 0.494 ' SG ' ' HB2' ' A' ' 616' ' ' PHE . 31.8 p -143.93 164.37 30.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.17 -170.592 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 680' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -140.15 133.22 29.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.203 177.328 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 681' ' ' LEU . . . . . . . . . . . . . 59.9 mt -123.58 155.56 37.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.229 -167.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 682' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -106.65 125.39 50.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.214 171.159 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 683' ' ' SER . . . . . . . . . . . . . 42.1 t -107.3 121.59 44.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.215 -169.594 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 684' ' ' LEU . . . . . . . . . . . . . 95.6 mt -115.55 149.79 37.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.222 165.459 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 78.1 p -127.25 160.29 31.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.21 -177.678 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 686' ' ' VAL . . . . . . . . . . . . . 57.6 t -66.33 -36.53 77.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.186 173.578 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 687' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -55.42 -38.88 69.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.211 174.393 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 688' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 -67.95 -38.12 82.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.186 173.528 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 689' ' ' PHE . . . . . . . . . . . . . 20.0 m-30 -69.19 -23.07 63.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.21 -178.382 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 690' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -69.29 -15.08 63.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.183 173.341 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 691' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -103.64 -29.69 10.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.184 173.578 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 692' ' ' VAL . . . . . . . . . . . . . 93.4 t -86.48 -69.73 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.191 179.638 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 693' ' ' LEU . . . . . . . . . . . . . 95.3 mt -77.29 -21.09 54.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.196 -168.659 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 694' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -96.08 20.39 10.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.201 172.612 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 695' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -72.65 -40.03 66.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.197 175.262 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 696' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -122.34 139.49 30.83 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.211 -179.572 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 697' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_exo -53.48 -33.6 68.28 Favored 'Trans proline' 0 N--CA 1.458 -0.581 0 C-N-CA 121.638 1.559 . . . . 0.0 111.197 178.487 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 698' ' ' MET . . . . . . . . . . . . . 99.8 mmm -59.96 -31.46 69.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.197 -177.621 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 699' ' ' MET . . . . . . . . . . . . . 63.2 tpp -99.97 -20.03 16.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.193 -179.558 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 700' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -60.81 -41.35 95.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.187 171.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -59.99 -36.91 78.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.194 179.525 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 702' ' ' ALA . . . . . . . . . . . . . . . -76.96 -39.74 49.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.208 176.404 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 703' ' ' PHE . . . . . . . . . . . . . 54.4 t80 -61.05 -34.32 74.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.221 -177.629 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 704' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -59.19 -30.19 68.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.209 176.322 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 705' ' ' THR . . . . . . . . . . . . . 94.8 m -82.05 -40.35 22.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.215 177.305 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 706' ' ' VAL . . . . . 0.532 ' O ' ' NH2' ' A' ' 666' ' ' ARG . 72.9 t -58.05 130.15 20.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.169 177.079 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 707' ' ' ALA . . . . . 0.481 ' OXT' ' O ' ' A' ' 663' ' ' LEU . . . . . . . . 0 C--O 1.2 -1.511 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.183 177.641 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 577' ' ' ASN . . . . . . . . . . . . . 72.9 m-80 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.727 0.299 . . . . 0.0 111.143 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 578' ' ' SER . . . . . . . . . . . . . 68.7 m -67.93 145.95 54.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.183 179.345 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -126.26 63.31 1.25 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.17 178.434 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 580' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -80.28 157.71 26.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.21 -172.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 581' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.88 140.01 20.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.2 178.022 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 49.3 pt -59.96 153.38 4.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.237 -176.733 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 583' ' ' ASN . . . . . 0.438 ' O ' ' HB2' ' A' ' 586' ' ' CYS . 96.1 m-20 -88.14 159.97 17.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.237 -178.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 584' ' ' PHE . . . . . . . . . . . . . 92.3 t80 -56.06 139.3 47.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.225 178.027 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 585' ' ' ASN . . . . . . . . . . . . . 29.0 t30 79.87 23.3 0.46 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.178 177.544 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 586' ' ' CYS . . . . . 0.438 ' HB2' ' O ' ' A' ' 583' ' ' ASN . 38.3 t -69.95 -31.77 69.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.209 178.223 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 587' ' ' ARG . . . . . . . . . . . . . 62.8 ttm-85 -51.62 -46.93 63.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.173 176.247 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 588' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -62.13 -41.76 98.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.204 177.554 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 95.9 mt -61.24 -36.76 80.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.196 -178.701 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 590' ' ' VAL . . . . . . . . . . . . . 79.3 t -67.97 -48.65 73.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.218 174.589 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 591' ' ' ALA . . . . . . . . . . . . . . . -60.06 -28.17 67.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.168 178.477 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 72.4 m -68.99 -25.56 64.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.194 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 593' ' ' MET . . . . . . . . . . . . . 55.1 ttm -67.68 120.08 70.77 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.219 178.541 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_exo -48.15 -44.01 29.61 Favored 'Trans proline' 0 N--CA 1.458 -0.611 0 C-N-CA 121.715 1.61 . . . . 0.0 111.205 177.443 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 595' ' ' LEU . . . . . . . . . . . . . 52.6 tp -52.97 -39.79 63.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.208 -178.205 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 596' ' ' PHE . . . . . . . . . . . . . 44.6 m-85 -117.92 26.89 9.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.226 -176.744 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 597' ' ' ALA . . . . . . . . . . . . . . . -61.07 -34.26 74.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.225 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 598' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -110.24 20.13 18.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.183 -178.487 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 599' ' ' ALA . . . . . . . . . . . . . . . -68.38 150.87 47.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.183 -177.386 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 600' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -64.54 135.0 96.18 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.241 178.204 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 601' ' ' PRO . . . . . . . . . . . . . 78.7 Cg_exo -50.54 -37.5 52.5 Favored 'Trans proline' 0 N--CA 1.458 -0.574 0 C-N-CA 121.706 1.604 . . . . 0.0 111.193 -179.204 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 602' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -73.19 -40.59 64.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.173 -179.034 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 603' ' ' PHE . . . . . . . . . . . . . 84.0 t80 -55.85 -45.9 78.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.206 173.658 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 604' ' ' VAL . . . . . . . . . . . . . 61.6 t -59.22 -49.98 81.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.202 177.536 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 605' ' ' THR . . . . . . . . . . . . . 99.5 m -49.93 -43.31 49.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.199 177.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 606' ' ' SER . . . . . . . . . . . . . 74.1 m -65.97 -47.35 74.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.2 178.144 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 91.2 mmm -57.7 -34.21 69.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.224 -178.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 608' ' ' LEU . . . . . . . . . . . . . 83.3 mt -60.75 -27.75 68.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.225 -177.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 609' ' ' THR . . . . . . . . . . . . . 69.1 p -88.93 -4.99 58.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.165 -179.539 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 610' ' ' LYS . . . . . 0.435 ' HB3' ' HB3' ' A' ' 688' ' ' ASN . 75.3 mmtt -106.73 -25.32 11.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.166 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 611' ' ' LEU . . . . . . . . . . . . . 89.8 mt -63.43 146.54 53.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.203 176.39 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 612' ' ' ARG . . . . . . . . . . . . . 91.3 mmt-85 -132.78 127.1 33.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.176 175.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 613' ' ' PHE . . . . . . . . . . . . . 80.2 t80 -84.0 136.57 34.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.189 -171.516 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -147.79 130.51 16.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.151 -178.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 615' ' ' VAL . . . . . 0.569 HG22 ' HG2' ' A' ' 680' ' ' ARG . 90.1 t -97.1 143.75 11.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.192 179.356 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 616' ' ' PHE . . . . . 0.616 ' HB2' ' SG ' ' A' ' 679' ' ' CYS . 87.2 m-85 -126.26 146.25 50.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.213 -177.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 617' ' ' GLN . . . . . . . . . . . . . 96.8 mm-40 -101.38 164.09 16.64 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.189 -175.392 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 618' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -52.46 121.75 9.59 Favored 'Trans proline' 0 N--CA 1.458 -0.569 0 C-N-CA 121.753 1.635 . . . . 0.0 111.172 175.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 619' ' ' GLY . . . . . . . . . . . . . . . 92.5 -11.34 72.33 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 176.001 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 620' ' ' ASP . . . . . . . . . . . . . 54.8 t0 -70.32 130.16 41.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.817 0.342 . . . . 0.0 111.147 -178.288 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 621' ' ' TYR . . . . . 0.476 ' CZ ' ' HD3' ' A' ' 674' ' ' ARG . 73.2 m-85 -82.18 142.5 32.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.201 179.31 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 622' ' ' ILE . . . . . . . . . . . . . 4.0 mp -109.47 -40.27 4.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.217 178.252 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 623' ' ' ILE . . . . . . . . . . . . . 83.4 mt -131.33 133.21 62.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.174 177.117 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -101.78 135.28 43.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.232 179.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 625' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -67.04 129.88 41.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.189 -179.638 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 626' ' ' GLY . . . . . . . . . . . . . . . 74.96 16.04 80.74 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.194 -0.763 . . . . 0.0 111.194 175.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 627' ' ' THR . . . . . . . . . . . . . 98.1 m -109.04 128.8 55.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.856 0.36 . . . . 0.0 111.171 178.52 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 628' ' ' ILE . . . . . . . . . . . . . 18.9 tt -64.95 147.62 12.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.202 -176.091 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 629' ' ' GLY . . . . . . . . . . . . . . . 141.87 108.63 0.71 Allowed Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.245 -0.742 . . . . 0.0 111.245 179.761 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 630' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -93.96 79.96 4.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.823 0.344 . . . . 0.0 111.223 -178.413 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 631' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -129.2 138.51 51.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.22 175.578 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 632' ' ' MET . . . . . . . . . . . . . 26.9 ptm -110.06 165.97 11.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.206 172.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 633' ' ' TYR . . . . . . . . . . . . . 83.9 m-85 -139.49 136.91 35.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.164 -175.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 634' ' ' PHE . . . . . . . . . . . . . 91.4 t80 -101.99 134.82 44.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.209 170.178 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 635' ' ' ILE . . . . . . . . . . . . . 68.1 mt -88.31 98.66 7.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.233 -177.637 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 23.5 tm0? -70.46 -35.21 73.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.181 179.128 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 637' ' ' HIS . . . . . . . . . . . . . 77.8 t60 -169.84 140.14 2.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.14 175.529 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 638' ' ' GLY . . . . . . . . . . . . . . . 123.72 -153.72 17.37 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.206 -0.758 . . . . 0.0 111.206 178.538 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 639' ' ' VAL . . . . . . . . . . . . . 7.1 p -158.07 130.86 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.856 0.36 . . . . 0.0 111.204 -179.135 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 640' ' ' VAL . . . . . . . . . . . . . 28.6 m -124.91 160.04 30.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.154 178.629 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 641' ' ' SER . . . . . . . . . . . . . 53.4 m -110.06 127.39 54.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.246 174.528 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 642' ' ' VAL . . . . . . . . . . . . . 61.8 t -109.61 111.25 35.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.2 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 643' ' ' LEU . . . . . . . . . . . . . 65.6 tp -103.51 120.1 40.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.183 -178.331 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 644' ' ' THR . . . . . . . . . . . . . 93.3 m -108.14 137.36 46.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.198 -177.618 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 89.3 tttt -56.15 120.85 8.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.21 -176.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 646' ' ' GLY . . . . . . . . . . . . . . . 74.43 15.09 80.48 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 172.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 647' ' ' ASN . . . . . . . . . . . . . 65.0 m-80 -134.77 157.75 45.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.835 0.35 . . . . 0.0 111.179 -178.145 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 648' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -65.12 137.46 57.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.198 179.241 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 649' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -65.05 137.01 57.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.229 179.046 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 650' ' ' THR . . . . . . . . . . . . . 96.8 m -120.05 133.56 55.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.2 179.598 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 651' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -100.75 137.07 39.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.231 -177.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 78.6 mt -124.68 147.48 48.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.213 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -133.46 177.77 7.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.174 -172.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 654' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -38.42 120.04 0.87 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.167 176.292 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 655' ' ' GLY . . . . . . . . . . . . . . . 109.64 -13.41 32.65 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.206 -0.757 . . . . 0.0 111.206 175.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 656' ' ' SER . . . . . . . . . . . . . 69.4 m -99.83 177.83 5.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.776 0.322 . . . . 0.0 111.207 -179.274 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 657' ' ' TYR . . . . . . . . . . . . . 25.9 p90 -152.78 167.96 27.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.23 179.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 658' ' ' PHE . . . . . . . . . . . . . 46.5 p90 -156.74 168.36 27.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.24 178.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 659' ' ' GLY . . . . . 0.502 ' O ' ' HB3' ' A' ' 662' ' ' CYS . . . 98.6 -2.4 58.82 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 -178.243 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 660' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -55.23 -50.08 70.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.833 0.349 . . . . 0.0 111.202 176.226 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 661' ' ' ILE . . . . . 0.414 ' HB ' ' CZ ' ' A' ' 669' ' ' ARG . 91.6 mt -63.25 -38.2 81.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.276 178.035 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 662' ' ' CYS . . . . . 0.502 ' HB3' ' O ' ' A' ' 659' ' ' GLY . 49.8 t -56.61 -44.13 80.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.215 178.135 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 663' ' ' LEU . . . . . . . . . . . . . 6.0 mp -68.38 -39.39 81.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.183 178.334 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 87.6 mt -67.98 -36.41 79.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.182 -178.176 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 665' ' ' THR . . . . . . . . . . . . . 55.5 p -100.66 -165.21 1.19 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.216 -176.055 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 666' ' ' ARG . . . . . . . . . . . . . 37.3 ptt180 -63.53 163.84 10.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.184 172.194 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . -65.09 -33.84 88.17 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 -178.64 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 75.3 mtp180 -83.09 70.0 9.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.784 0.326 . . . . 0.0 111.203 -178.253 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 669' ' ' ARG . . . . . 0.414 ' CZ ' ' HB ' ' A' ' 661' ' ' ILE . 79.5 ttt180 -67.01 140.21 57.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.218 179.332 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 670' ' ' THR . . . . . . . . . . . . . 37.4 p -83.35 58.36 4.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.192 178.787 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 671' ' ' ALA . . . . . . . . . . . . . . . -162.28 154.78 19.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.196 -179.701 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 672' ' ' SER . . . . . . . . . . . . . 94.9 p -131.31 155.79 46.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.184 179.509 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 673' ' ' VAL . . . . . . . . . . . . . 52.7 t -134.86 131.12 53.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.226 -178.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 674' ' ' ARG . . . . . 0.476 ' HD3' ' CZ ' ' A' ' 621' ' ' TYR . 56.4 ttp180 -133.21 133.68 43.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.208 -179.015 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 675' ' ' ALA . . . . . . . . . . . . . . . -73.39 132.79 43.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.176 179.153 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 676' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -87.07 -17.37 33.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.156 -178.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 13.7 t -160.8 -171.93 3.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.175 176.117 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 678' ' ' TYR . . . . . . . . . . . . . 91.3 t80 -57.67 118.97 5.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.233 173.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 679' ' ' CYS . . . . . 0.616 ' SG ' ' HB2' ' A' ' 616' ' ' PHE . 31.4 p -144.61 162.0 37.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.192 -175.486 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 680' ' ' ARG . . . . . 0.569 ' HG2' HG22 ' A' ' 615' ' ' VAL . 99.2 mtt180 -130.77 116.86 18.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.197 -175.477 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 681' ' ' LEU . . . . . . . . . . . . . 58.7 mt -114.27 154.32 28.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.18 -173.693 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 682' ' ' TYR . . . . . . . . . . . . . 55.8 m-85 -107.18 120.09 41.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.213 167.059 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 683' ' ' SER . . . . . . . . . . . . . 37.8 t -86.7 138.06 31.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.201 -176.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 684' ' ' LEU . . . . . 0.412 ' C ' HD13 ' A' ' 684' ' ' LEU . 3.0 tm? -143.86 110.04 5.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.192 177.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 76.5 p -81.48 154.38 26.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.202 -178.025 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 686' ' ' VAL . . . . . . . . . . . . . 6.4 p -60.22 -30.67 46.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.205 175.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 687' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -66.35 -43.38 86.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.195 175.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 688' ' ' ASN . . . . . 0.435 ' HB3' ' HB3' ' A' ' 610' ' ' LYS . 91.8 m-20 -62.53 -39.97 95.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.191 176.122 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 689' ' ' PHE . . . . . 0.402 ' CE2' ' O ' ' A' ' 707' ' ' ALA . 89.3 t80 -60.37 -47.2 87.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.184 175.233 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 690' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -66.97 -34.34 77.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.199 -178.345 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 691' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -54.69 -46.61 74.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.221 178.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 692' ' ' VAL . . . . . . . . . . . . . 79.3 t -59.92 -40.09 81.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.22 177.528 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 693' ' ' LEU . . . . . . . . . . . . . 89.3 mt -64.79 -38.32 90.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.26 -179.73 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 694' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -69.89 -40.12 75.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.175 177.237 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 695' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -64.81 -42.07 95.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.172 -177.313 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 696' ' ' TYR . . . . . . . . . . . . . 88.9 m-85 -119.9 98.59 49.39 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.186 -177.773 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 697' ' ' PRO . . . . . . . . . . . . . 75.7 Cg_exo -54.54 -32.19 73.02 Favored 'Trans proline' 0 N--CA 1.458 -0.589 0 C-N-CA 121.684 1.589 . . . . 0.0 111.228 178.738 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 698' ' ' MET . . . . . . . . . . . . . 99.9 mmm -62.8 -32.37 73.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.174 -178.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 699' ' ' MET . . . . . . . . . . . . . 36.9 mmt -96.32 -19.58 19.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.206 179.335 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 700' ' ' ARG . . . . . . . . . . . . . 37.1 ttm180 -47.07 -53.97 11.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.204 179.476 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -79.84 -34.03 39.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.18 -176.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 702' ' ' ALA . . . . . . . . . . . . . . . -57.34 -45.04 84.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.19 -177.129 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 703' ' ' PHE . . . . . . . . . . . . . 85.6 m-85 -106.16 19.97 19.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.201 -178.429 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 704' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -59.52 -30.44 68.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.203 175.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 705' ' ' THR . . . . . . . . . . . . . 67.0 p -100.17 13.51 33.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.194 -176.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 706' ' ' VAL . . . . . . . . . . . . . 85.7 t -111.54 139.86 33.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.245 -178.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 707' ' ' ALA . . . . . 0.402 ' O ' ' CE2' ' A' ' 689' ' ' PHE . . . . . . . . 0 C--O 1.2 -1.5 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.22 179.014 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 577' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.81 0.338 . . . . 0.0 111.18 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 578' ' ' SER . . . . . . . . . . . . . 82.7 p -80.95 166.45 20.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.174 -179.322 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 -140.03 74.64 1.47 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.166 177.722 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 580' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -91.13 170.0 10.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.188 -176.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 581' ' ' ILE . . . . . . . . . . . . . 97.5 mt -70.46 119.77 17.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.192 175.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 49.9 pt -65.09 152.39 9.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.174 -174.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 583' ' ' ASN . . . . . . . . . . . . . 74.9 m-80 -99.81 160.01 14.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.187 174.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 584' ' ' PHE . . . . . . . . . . . . . 88.6 m-85 -81.21 177.79 8.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.207 178.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 585' ' ' ASN . . . . . . . . . . . . . 32.5 t30 75.71 23.16 1.44 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.173 -178.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 586' ' ' CYS . . . . . . . . . . . . . 79.0 m -99.9 4.15 44.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.233 177.71 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 587' ' ' ARG . . . . . . . . . . . . . 71.5 ttp85 -60.25 -40.49 90.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.207 176.138 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 588' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -65.45 -35.71 81.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.206 178.676 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 75.9 mt -64.59 -51.76 61.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.21 176.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 590' ' ' VAL . . . . . . . . . . . . . 66.0 t -58.62 -42.58 85.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.18 178.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 591' ' ' ALA . . . . . . . . . . . . . . . -69.79 -15.01 63.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.234 -175.071 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 75.6 m -61.06 -38.1 85.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.218 -179.296 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 593' ' ' MET . . . . . . . . . . . . . 10.9 tpt -68.2 121.27 79.6 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.199 175.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_exo -51.01 -41.47 56.46 Favored 'Trans proline' 0 N--CA 1.458 -0.563 0 C-N-CA 121.698 1.598 . . . . 0.0 111.176 -178.137 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 595' ' ' LEU . . . . . . . . . . . . . 5.9 mp -64.81 -28.3 69.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.183 -177.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 596' ' ' PHE . . . . . . . . . . . . . 14.8 m-30 -88.99 -25.91 21.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.195 179.642 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 597' ' ' ALA . . . . . . . . . . . . . . . -68.21 -36.08 78.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.147 173.066 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 598' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -71.41 -24.18 62.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.227 175.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 599' ' ' ALA . . . . . . . . . . . . . . . -70.05 155.13 41.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.217 177.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 600' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -57.67 147.52 61.08 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.176 -179.174 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 601' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_exo -51.99 -36.21 63.92 Favored 'Trans proline' 0 N--CA 1.458 -0.611 0 C-N-CA 121.709 1.606 . . . . 0.0 111.226 175.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 602' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -70.22 -38.32 75.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.141 178.301 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 603' ' ' PHE . . . . . . . . . . . . . 12.8 m-30 -60.74 -40.73 93.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.19 174.467 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 604' ' ' VAL . . . . . . . . . . . . . 67.5 t -60.42 -49.61 83.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.172 177.02 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 605' ' ' THR . . . . . . . . . . . . . 96.8 m -55.02 -46.62 75.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.196 175.576 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 606' ' ' SER . . . . . . . . . . . . . 72.9 m -60.04 -46.11 90.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.201 -179.079 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 68.9 mtm -60.02 -40.18 88.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.206 177.476 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 608' ' ' LEU . . . . . 0.795 HD23 ' O ' ' A' ' 608' ' ' LEU . 3.3 tt -53.66 -40.26 65.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.247 178.509 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 609' ' ' THR . . . . . . . . . . . . . 69.2 p -84.72 -8.63 58.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.185 -174.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 610' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -99.49 5.01 46.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.164 176.158 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 611' ' ' LEU . . . . . . . . . . . . . 92.8 mt -66.29 148.16 52.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.177 176.626 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 612' ' ' ARG . . . . . . . . . . . . . 74.3 ttt180 -113.03 123.7 50.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.168 171.131 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 613' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -80.08 106.31 12.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.163 -174.712 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -115.12 115.63 27.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.184 -175.568 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 615' ' ' VAL . . . . . . . . . . . . . 94.2 t -96.19 140.82 16.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.236 178.725 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 616' ' ' PHE . . . . . . . . . . . . . 99.4 m-85 -130.61 143.79 50.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.122 -175.345 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 617' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -100.81 161.83 22.59 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.23 178.101 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 618' ' ' PRO . . . . . . . . . . . . . 79.4 Cg_exo -52.32 121.57 9.2 Favored 'Trans proline' 0 N--CA 1.458 -0.613 0 C-N-CA 121.72 1.613 . . . . 0.0 111.21 175.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 619' ' ' GLY . . . . . . . . . . . . . . . 96.81 -16.54 60.81 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.176 -0.77 . . . . 0.0 111.176 178.014 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 620' ' ' ASP . . . . . . . . . . . . . 59.3 t0 -70.16 129.32 39.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.843 0.354 . . . . 0.0 111.214 -179.399 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 621' ' ' TYR . . . . . 0.414 ' CZ ' ' HD3' ' A' ' 674' ' ' ARG . 57.6 m-85 -82.8 138.08 34.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.204 -177.199 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 622' ' ' ILE . . . . . . . . . . . . . 75.3 mt -101.72 -44.89 10.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.233 177.523 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 623' ' ' ILE . . . . . . . . . . . . . 70.4 mt -129.96 139.14 52.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.18 177.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 34.6 mmt180 -105.75 140.71 38.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.222 176.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 625' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -71.64 134.77 46.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.233 178.023 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 626' ' ' GLY . . . . . . . . . . . . . . . 88.69 12.97 63.61 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.234 -0.746 . . . . 0.0 111.234 176.059 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 627' ' ' THR . . . . . . . . . . . . . 47.2 p -117.38 165.27 13.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.83 0.348 . . . . 0.0 111.17 179.099 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 628' ' ' ILE . . . . . 0.407 ' HA ' ' HA ' ' A' ' 668' ' ' ARG . 97.1 mt -66.61 129.49 31.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.165 -178.616 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 629' ' ' GLY . . . . . . . . . . . . . . . -127.55 107.97 0.92 Allowed Glycine 0 CA--C 1.523 0.559 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 179.647 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 630' ' ' LYS . . . . . . . . . . . . . 23.1 pttp -141.33 33.1 1.69 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.8 0.333 . . . . 0.0 111.237 -178.721 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 631' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -129.99 137.96 50.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.192 175.661 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 632' ' ' MET . . . . . . . . . . . . . 90.1 mmm -78.45 145.19 35.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.207 167.311 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 633' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -128.25 125.74 39.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.189 175.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 634' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -117.74 134.14 55.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.184 178.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 635' ' ' ILE . . . . . . . . . . . . . 66.1 mt -98.94 113.54 34.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.149 -172.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 -89.94 -40.06 12.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.209 177.06 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 637' ' ' HIS . . . . . . . . . . . . . 99.5 m-70 -141.53 151.15 43.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.224 174.385 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 638' ' ' GLY . . . . . . . . . . . . . . . 99.08 175.55 31.81 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 168.257 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 639' ' ' VAL . . . . . . . . . . . . . 89.7 t -123.21 136.56 59.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.774 0.321 . . . . 0.0 111.197 -178.052 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 640' ' ' VAL . . . . . . . . . . . . . 25.1 m -127.73 159.94 37.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.196 177.182 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 641' ' ' SER . . . . . . . . . . . . . 48.4 m -113.75 127.63 56.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.216 173.614 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 642' ' ' VAL . . . . . . . . . . . . . 86.3 t -109.88 111.59 36.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.21 179.488 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 643' ' ' LEU . . . . . . . . . . . . . 64.9 tp -107.81 120.06 41.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.207 -177.197 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 644' ' ' THR . . . . . . . . . . . . . 93.9 m -109.7 138.15 46.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.15 -178.525 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -54.11 119.79 5.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.2 -175.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 646' ' ' GLY . . . . . . . . . . . . . . . 74.51 15.19 80.54 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.196 -0.761 . . . . 0.0 111.196 172.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 647' ' ' ASN . . . . . . . . . . . . . 65.1 m-80 -133.01 157.27 45.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.838 0.351 . . . . 0.0 111.203 -177.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 648' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -65.07 136.86 57.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.209 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 649' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -65.23 137.4 57.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.18 178.434 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 650' ' ' THR . . . . . . . . . . . . . 98.3 m -109.76 130.45 55.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.18 -179.392 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 651' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -95.57 124.38 39.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.164 179.515 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 88.4 mt -122.6 148.88 44.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.219 -177.532 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -142.88 -169.55 3.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.204 -174.29 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 654' ' ' ASP . . . . . . . . . . . . . 64.2 t0 -44.83 120.93 2.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.238 176.046 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 655' ' ' GLY . . . . . . . . . . . . . . . 99.57 -4.95 58.32 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 176.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 656' ' ' SER . . . . . . . . . . . . . 48.1 m -96.03 174.37 6.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.794 0.33 . . . . 0.0 111.201 179.316 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 657' ' ' TYR . . . . . . . . . . . . . 34.3 p90 -158.9 168.55 26.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.196 178.192 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 658' ' ' PHE . . . . . . . . . . . . . 41.7 p90 -159.6 163.19 35.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.142 177.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 659' ' ' GLY . . . . . 0.555 ' O ' ' HB2' ' A' ' 662' ' ' CYS . . . 111.77 17.56 8.45 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.147 -0.781 . . . . 0.0 111.147 -176.798 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 660' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -55.94 -35.96 67.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.809 0.338 . . . . 0.0 111.235 -178.053 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 661' ' ' ILE . . . . . 0.429 HD12 HH21 ' A' ' 669' ' ' ARG . 94.5 mt -69.28 -28.42 38.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.228 179.042 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 662' ' ' CYS . . . . . 0.555 ' HB2' ' O ' ' A' ' 659' ' ' GLY . 91.5 m -64.61 -23.68 67.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.194 -173.725 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 663' ' ' LEU . . . . . . . . . . . . . 96.4 mt -81.68 -18.98 42.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.249 178.187 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 85.2 mt -107.5 -19.03 13.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.238 -174.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 665' ' ' THR . . . . . . . . . . . . . 89.8 m -129.44 129.98 45.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.187 -178.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 666' ' ' ARG . . . . . . . . . . . . . 69.1 ttt180 -109.93 50.05 0.81 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.188 -178.609 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . -152.21 -153.26 6.2 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 -177.433 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 668' ' ' ARG . . . . . 0.407 ' HA ' ' HA ' ' A' ' 628' ' ' ILE . 96.8 mtt-85 -79.41 144.56 34.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.746 0.308 . . . . 0.0 111.211 -177.539 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 669' ' ' ARG . . . . . 0.429 HH21 HD12 ' A' ' 661' ' ' ILE . 31.9 mtp-105 -120.01 155.53 32.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.168 -178.722 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 670' ' ' THR . . . . . . . . . . . . . 45.1 p -104.9 55.13 0.71 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.22 -177.25 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 671' ' ' ALA . . . . . . . . . . . . . . . -154.97 154.37 32.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.18 178.413 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 672' ' ' SER . . . . . . . . . . . . . 96.2 p -132.81 155.11 49.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.205 179.207 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 673' ' ' VAL . . . . . . . . . . . . . 61.3 t -135.72 132.37 51.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.203 -179.42 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 674' ' ' ARG . . . . . 0.414 ' HD3' ' CZ ' ' A' ' 621' ' ' TYR . 57.1 ttp180 -132.29 135.0 45.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.204 -178.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 675' ' ' ALA . . . . . . . . . . . . . . . -76.39 140.29 41.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.228 -179.204 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 676' ' ' ASP . . . . . . . . . . . . . 64.6 m-20 -102.44 -32.92 9.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.159 -178.606 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 677' ' ' THR . . . . . 0.469 ' O ' ' SG ' ' A' ' 679' ' ' CYS . 33.6 p -125.76 -179.18 4.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.243 179.772 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 678' ' ' TYR . . . . . . . . . . . . . 74.5 t80 -60.16 100.08 0.09 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.236 167.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 679' ' ' CYS . . . . . 0.469 ' SG ' ' O ' ' A' ' 677' ' ' THR . 72.0 m -110.21 145.05 37.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.204 -168.037 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 680' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -122.87 107.25 11.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.166 175.605 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 681' ' ' LEU . . . . . . . . . . . . . 6.1 mp -117.88 159.98 22.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.164 -172.537 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 682' ' ' TYR . . . . . . . . . . . . . 87.5 m-85 -125.03 124.41 41.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.243 173.491 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 683' ' ' SER . . . . . . . . . . . . . 96.7 p -98.04 151.72 20.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.218 -178.105 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 684' ' ' LEU . . . . . . . . . . . . . 50.5 tp -148.87 106.52 3.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.2 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 82.6 p -70.31 156.62 39.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.208 -175.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 686' ' ' VAL . . . . . 0.46 HG11 ' O ' ' A' ' 707' ' ' ALA . 29.1 m -62.9 -26.44 40.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.246 172.652 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 687' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -64.73 -44.26 90.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.171 175.223 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 688' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -63.16 -43.62 97.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.196 176.237 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 689' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -58.41 -43.33 88.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.174 176.041 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 690' ' ' ASN . . . . . . . . . . . . . 99.8 m-20 -60.21 -43.01 96.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.197 178.46 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 691' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -59.25 -41.06 87.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.188 177.668 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 692' ' ' VAL . . . . . . . . . . . . . 53.1 t -64.91 -44.51 96.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.196 177.508 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 693' ' ' LEU . . . . . . . . . . . . . 95.4 mt -64.68 -32.3 73.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.218 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 694' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -86.87 9.1 20.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.184 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 695' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -69.85 -43.94 70.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.204 176.122 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 696' ' ' TYR . . . . . . . . . . . . . 19.9 m-30 -100.13 124.71 42.37 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.19 178.03 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 697' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_exo -54.33 -37.1 88.7 Favored 'Trans proline' 0 N--CA 1.458 -0.596 0 C-N-CA 121.745 1.63 . . . . 0.0 111.175 178.53 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 698' ' ' MET . . . . . . . . . . . . . 99.7 mmm -65.34 -28.49 69.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.209 -176.168 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 699' ' ' MET . . . . . . . . . . . . . 98.4 mmm -118.52 18.57 13.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.198 -178.308 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 700' ' ' ARG . . . . . . . . . . . . . 63.6 ttm-85 -60.01 -39.66 86.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.151 -169.275 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 82.2 mtp180 -87.79 8.99 23.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.219 -172.191 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 702' ' ' ALA . . . . . . . . . . . . . . . -62.39 -23.41 66.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.204 175.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 703' ' ' PHE . . . . . . . . . . . . . 9.8 p90 -60.16 -23.05 63.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.204 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 704' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -60.93 -26.81 67.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.21 -177.346 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 705' ' ' THR . . . . . . . . . . . . . 62.8 p -90.62 2.33 55.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.163 -177.416 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 706' ' ' VAL . . . . . . . . . . . . . 95.4 t -113.19 137.33 46.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.183 -179.46 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 707' ' ' ALA . . . . . 0.46 ' O ' HG11 ' A' ' 686' ' ' VAL . . . . . . . . 0 C--O 1.2 -1.549 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.177 178.248 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 577' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.809 0.337 . . . . 0.0 111.15 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 578' ' ' SER . . . . . . . . . . . . . 82.4 p -74.05 170.07 16.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.201 -176.524 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -124.94 60.17 1.2 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.156 -178.04 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 580' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -72.93 177.54 4.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.205 -177.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 581' ' ' ILE . . . . . . . . . . . . . 97.0 mt -65.99 128.98 29.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.214 -172.555 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 582' ' ' ILE . . . . . 0.409 HD13 ' HB2' ' A' ' 613' ' ' PHE . 48.6 mm -80.49 124.47 38.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.163 177.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 583' ' ' ASN . . . . . 0.549 ' O ' ' SG ' ' A' ' 586' ' ' CYS . 95.7 m-20 -77.14 170.34 16.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.23 178.289 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 584' ' ' PHE . . . . . . . . . . . . . 76.6 m-85 -80.07 156.77 26.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.181 -179.322 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 585' ' ' ASN . . . . . . . . . . . . . 89.8 m-20 59.93 49.71 7.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.226 176.307 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 586' ' ' CYS . . . . . 0.549 ' SG ' ' O ' ' A' ' 583' ' ' ASN . 91.1 m -96.08 -9.33 31.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.218 176.817 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 587' ' ' ARG . . . . . 0.462 ' HB3' HD11 ' A' ' 608' ' ' LEU . 34.4 ptt-85 -60.24 -25.9 66.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.235 176.573 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 588' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -65.97 -34.67 78.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.232 175.256 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 91.7 mt -72.81 -47.44 46.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.226 177.429 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 590' ' ' VAL . . . . . . . . . . . . . 66.9 t -55.95 -46.29 80.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.175 177.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 591' ' ' ALA . . . . . . . . . . . . . . . -79.49 0.62 28.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.215 -173.001 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 73.7 m -65.17 -32.0 73.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.166 175.295 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 593' ' ' MET . . . . . 0.435 ' SD ' ' SD ' ' A' ' 632' ' ' MET . 24.9 ttt -77.72 130.19 74.3 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.196 175.272 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 80.1 Cg_exo -52.85 -43.66 54.48 Favored 'Trans proline' 0 N--CA 1.457 -0.644 0 C-N-CA 121.694 1.596 . . . . 0.0 111.227 179.628 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 595' ' ' LEU . . . . . . . . . . . . . 63.8 tp -59.96 -48.32 82.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.16 178.697 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 596' ' ' PHE . . . . . . . . . . . . . 14.2 m-30 -71.31 -24.17 62.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.175 -176.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 597' ' ' ALA . . . . . . . . . . . . . . . -71.23 -39.62 71.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.236 173.134 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 598' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -70.39 -27.82 64.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.199 174.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 599' ' ' ALA . . . . . . . . . . . . . . . -61.41 145.88 50.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.204 176.706 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 600' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -59.79 149.96 70.07 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.157 -176.618 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 601' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_exo -51.95 -34.47 56.56 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 121.702 1.602 . . . . 0.0 111.219 175.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 602' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -66.28 -36.04 81.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.226 176.439 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 603' ' ' PHE . . . . . . . . . . . . . 17.1 m-30 -70.08 -32.92 71.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.188 178.487 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 604' ' ' VAL . . . . . . . . . . . . . 76.0 t -63.1 -50.07 80.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.212 173.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 605' ' ' THR . . . . . . . . . . . . . 97.9 m -53.34 -47.61 69.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.206 174.68 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 606' ' ' SER . . . . . . . . . . . . . 73.3 m -58.1 -45.32 87.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.204 179.437 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 72.0 mtm -65.05 -32.17 73.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.228 178.642 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 608' ' ' LEU . . . . . 0.462 HD11 ' HB3' ' A' ' 587' ' ' ARG . 73.8 mt -68.14 -33.25 74.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.241 177.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 609' ' ' THR . . . . . . . . . . . . . 81.3 p -81.06 -21.29 40.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.222 176.714 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 610' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -95.31 0.36 53.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.22 172.04 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 611' ' ' LEU . . . . . . . . . . . . . 30.7 tp -68.79 132.19 46.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.213 -176.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 612' ' ' ARG . . . . . . . . . . . . . 90.9 mtt180 -105.98 149.84 26.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.22 173.042 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 613' ' ' PHE . . . . . 0.409 ' HB2' HD13 ' A' ' 582' ' ' ILE . 36.2 t80 -123.98 137.63 54.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.2 177.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 71.7 tt0 -148.74 132.1 16.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.16 -179.556 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 615' ' ' VAL . . . . . 0.478 HG22 ' HG2' ' A' ' 680' ' ' ARG . 95.4 t -96.55 125.0 49.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.198 175.206 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 616' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -101.53 141.42 34.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.171 -178.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 617' ' ' GLN . . . . . . . . . . . . . 87.4 mt-30 -87.4 161.17 46.52 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.225 -177.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 618' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -55.06 121.66 10.3 Favored 'Trans proline' 0 N--CA 1.458 -0.578 0 C-N-CA 121.689 1.592 . . . . 0.0 111.197 176.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 619' ' ' GLY . . . . . . . . . . . . . . . 92.67 -8.38 76.77 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 176.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 620' ' ' ASP . . . . . . . . . . . . . 61.1 t0 -70.23 125.33 26.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.812 0.339 . . . . 0.0 111.152 -179.615 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 621' ' ' TYR . . . . . . . . . . . . . 69.6 m-85 -77.32 135.95 38.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.181 179.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 622' ' ' ILE . . . . . . . . . . . . . 71.1 mt -105.47 -45.41 8.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.192 -178.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 623' ' ' ILE . . . . . . . . . . . . . 67.2 mt -131.56 134.14 60.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.211 178.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -100.74 134.19 44.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.168 175.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 625' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -69.24 138.36 53.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.179 178.07 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 626' ' ' GLY . . . . . . . . . . . . . . . 89.55 16.1 57.41 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.179 -0.768 . . . . 0.0 111.179 176.114 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 627' ' ' THR . . . . . . . . . . . . . 52.8 p -117.99 160.07 22.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.81 0.338 . . . . 0.0 111.168 177.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 628' ' ' ILE . . . . . . . . . . . . . 72.1 mt -99.25 79.87 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.222 -179.653 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 629' ' ' GLY . . . . . . . . . . . . . . . -74.68 154.55 47.24 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 177.614 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 630' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -130.08 16.98 5.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.81 0.338 . . . . 0.0 111.199 178.163 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 631' ' ' LYS . . . . . . . . . . . . . 12.0 mptt -120.04 139.94 51.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.182 -177.487 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 632' ' ' MET . . . . . 0.435 ' SD ' ' SD ' ' A' ' 593' ' ' MET . 27.5 ttt -112.94 138.44 49.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.216 174.366 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 633' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -113.87 139.42 49.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.168 -169.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 634' ' ' PHE . . . . . . . . . . . . . 86.2 m-85 -120.73 136.61 54.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.164 174.045 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 635' ' ' ILE . . . . . . . . . . . . . 71.7 mt -99.18 114.91 38.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.175 -171.765 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 48.0 tt0 -92.8 -41.82 9.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.209 176.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 637' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 -142.85 150.93 40.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.223 174.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 638' ' ' GLY . . . . . . . . . . . . . . . 97.9 177.78 33.52 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 173.215 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 639' ' ' VAL . . . . . . . . . . . . . 97.6 t -128.8 134.98 63.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.825 0.345 . . . . 0.0 111.195 -177.177 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 640' ' ' VAL . . . . . . . . . . . . . 28.3 m -120.17 157.65 22.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.222 174.708 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 641' ' ' SER . . . . . . . . . . . . . 53.6 m -109.92 126.49 53.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.232 175.037 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 642' ' ' VAL . . . . . 0.431 HG22 HG22 ' A' ' 673' ' ' VAL . 59.4 t -110.99 114.34 46.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.197 -179.786 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 643' ' ' LEU . . . . . . . . . . . . . 65.3 tp -105.52 118.57 36.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.168 -179.232 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 644' ' ' THR . . . . . . . . . . . . . 94.8 m -104.5 138.63 40.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.165 -176.253 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 89.1 tttt -56.61 120.1 7.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.22 -176.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 646' ' ' GLY . . . . . . . . . . . . . . . 79.39 7.48 88.45 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.189 -0.765 . . . . 0.0 111.189 173.012 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 647' ' ' ASN . . . . . . . . . . . . . 67.8 m-80 -130.7 159.9 35.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.783 0.325 . . . . 0.0 111.22 -176.31 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 648' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -68.59 148.31 50.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.149 179.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 649' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -69.89 138.85 52.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.212 -179.324 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 650' ' ' THR . . . . . . . . . . . . . 93.7 m -125.58 138.99 53.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.189 177.43 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 651' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -102.63 144.5 30.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.234 -176.419 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 86.7 mt -126.7 148.23 49.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.241 179.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -141.06 -171.07 3.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.186 -172.417 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 654' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -41.76 119.88 1.39 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.177 178.19 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 655' ' ' GLY . . . . . . . . . . . . . . . 100.57 -2.45 55.97 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.179 -0.768 . . . . 0.0 111.179 175.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 656' ' ' SER . . . . . . . . . . . . . 45.6 m -99.4 175.29 5.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.795 0.331 . . . . 0.0 111.226 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 657' ' ' TYR . . . . . . . . . . . . . 50.1 p90 -159.88 162.14 34.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.153 -179.741 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 658' ' ' PHE . . . . . . . . . . . . . 52.9 p90 -159.68 171.89 18.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.178 -178.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 659' ' ' GLY . . . . . 0.438 ' O ' ' HB2' ' A' ' 662' ' ' CYS . . . 88.72 10.36 67.35 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 177.84 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 660' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -56.4 -33.11 65.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.759 0.314 . . . . 0.0 111.22 -179.152 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 661' ' ' ILE . . . . . 0.456 ' HB ' HH11 ' A' ' 669' ' ' ARG . 91.2 mt -57.97 -35.88 53.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.177 179.005 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 662' ' ' CYS . . . . . 0.438 ' HB2' ' O ' ' A' ' 659' ' ' GLY . 99.4 m -59.97 -32.16 70.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.193 -176.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 663' ' ' LEU . . . . . . . . . . . . . 7.5 mp -95.57 -33.42 12.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.235 -177.343 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 97.2 mt -78.98 -31.31 44.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.172 -174.27 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 665' ' ' THR . . . . . . . . . . . . . 29.9 p -118.88 179.94 4.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.195 -175.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 666' ' ' ARG . . . . . . . . . . . . . 89.9 mmt-85 -134.54 53.43 2.0 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.19 -178.677 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . -155.68 -164.77 13.53 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 -176.28 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 90.0 mtm180 -79.31 143.36 35.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.832 0.349 . . . . 0.0 111.197 -177.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 669' ' ' ARG . . . . . 0.456 HH11 ' HB ' ' A' ' 661' ' ' ILE . 56.4 ttt85 -89.95 134.2 34.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.2 176.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 670' ' ' THR . . . . . . . . . . . . . 40.4 p -95.54 42.1 1.09 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.187 -176.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 671' ' ' ALA . . . . . . . . . . . . . . . -158.04 155.44 29.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.238 179.038 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 672' ' ' SER . . . . . . . . . . . . . 94.0 p -126.6 154.66 43.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.22 177.31 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 673' ' ' VAL . . . . . 0.431 HG22 HG22 ' A' ' 642' ' ' VAL . 46.3 t -134.85 131.63 53.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.212 -176.06 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 674' ' ' ARG . . . . . . . . . . . . . 58.6 ttp180 -134.33 137.29 44.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.184 179.185 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 675' ' ' ALA . . . . . . . . . . . . . . . -76.31 134.97 39.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.19 -178.495 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 676' ' ' ASP . . . . . . . . . . . . . 69.4 m-20 -90.92 -20.33 22.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.245 -177.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 14.9 t -151.11 -166.93 2.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.18 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 678' ' ' TYR . . . . . . . . . . . . . 81.5 m-85 -70.05 94.34 0.87 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.205 173.605 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 679' ' ' CYS . . . . . . . . . . . . . 84.7 m -106.15 142.18 36.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.211 -168.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 680' ' ' ARG . . . . . 0.478 ' HG2' HG22 ' A' ' 615' ' ' VAL . 99.9 mtt180 -109.26 102.79 11.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.165 -178.738 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 681' ' ' LEU . . . . . . . . . . . . . 7.2 mp -118.1 150.85 38.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.181 -170.511 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 682' ' ' TYR . . . . . . . . . . . . . 68.2 m-85 -117.33 143.93 45.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.214 176.151 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 683' ' ' SER . . . . . . . . . . . . . 40.8 t -120.95 130.97 54.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.177 -170.167 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 684' ' ' LEU . . . . . . . . . . . . . 83.7 mt -126.2 127.57 45.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.182 167.27 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 75.2 p -88.86 154.39 20.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.206 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 686' ' ' VAL . . . . . . . . . . . . . 8.4 p -62.74 -30.08 48.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.19 175.35 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 687' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -64.18 -45.37 88.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.192 175.293 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 688' ' ' ASN . . . . . . . . . . . . . 96.8 m-20 -60.18 -45.46 93.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.192 177.139 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 689' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -61.96 -41.52 98.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.153 179.135 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 690' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -59.28 -42.64 91.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.174 176.639 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 691' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -60.65 -44.77 96.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.173 175.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 692' ' ' VAL . . . . . . . . . . . . . 55.3 t -56.26 -40.83 68.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.184 178.432 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 693' ' ' LEU . . . . . . . . . . . . . 85.8 mt -67.25 -44.2 80.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.18 175.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 694' ' ' GLU . . . . . 0.493 ' HA ' ' HE ' ' A' ' 700' ' ' ARG . 95.5 mt-10 -61.15 -29.73 69.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.234 -176.222 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 695' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -52.92 -37.49 60.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.215 179.511 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 696' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -109.77 103.32 52.94 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.249 175.495 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 697' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_exo -53.24 -37.32 80.39 Favored 'Trans proline' 0 N--CA 1.459 -0.546 0 C-N-CA 121.7 1.6 . . . . 0.0 111.179 -173.564 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 698' ' ' MET . . . . . . . . . . . . . 61.3 tpp -53.36 -60.04 3.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.205 178.535 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 699' ' ' MET . . . . . . . . . . . . . 96.5 mmm -67.6 -30.27 69.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.19 -179.506 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 700' ' ' ARG . . . . . 0.493 ' HE ' ' HA ' ' A' ' 694' ' ' GLU . 22.8 ttm180 -55.74 -43.31 76.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.185 176.647 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -81.32 -38.19 27.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.214 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 702' ' ' ALA . . . . . . . . . . . . . . . -60.28 -39.13 85.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.2 -179.532 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 703' ' ' PHE . . . . . . . . . . . . . 16.1 t80 -70.96 -9.99 58.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.182 -174.22 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 704' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -64.49 -23.59 67.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.16 178.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 705' ' ' THR . . . . . . . . . . . . . 70.2 p -104.79 13.9 30.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.199 177.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 706' ' ' VAL . . . . . . . . . . . . . 75.5 t -115.19 105.58 18.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.196 -179.579 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 707' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.2 -1.535 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.206 178.951 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 577' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.77 0.319 . . . . 0.0 111.222 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 578' ' ' SER . . . . . . . . . . . . . 31.3 t -71.38 142.72 50.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.237 -178.556 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -89.98 10.08 25.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.242 -178.254 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 580' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -64.81 152.68 42.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.191 177.406 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 581' ' ' ILE . . . . . . . . . . . . . 47.0 pt -113.65 -175.3 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.206 179.486 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 10.9 tp -50.44 136.02 9.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.231 179.625 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 583' ' ' ASN . . . . . 0.404 ' O ' ' HB2' ' A' ' 586' ' ' CYS . 95.8 m-20 -89.72 161.04 16.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.169 -179.165 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 584' ' ' PHE . . . . . . . . . . . . . 91.1 t80 -58.18 132.67 54.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.232 177.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 585' ' ' ASN . . . . . . . . . . . . . 32.4 t30 75.95 18.04 2.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.162 178.453 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 586' ' ' CYS . . . . . 0.404 ' HB2' ' O ' ' A' ' 583' ' ' ASN . 62.7 m -119.11 -14.72 9.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.213 173.749 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 587' ' ' ARG . . . . . 0.491 ' HG2' HD13 ' A' ' 608' ' ' LEU . 99.9 mtt180 -59.36 -44.1 92.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.164 177.593 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 588' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -68.14 -34.94 77.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.169 179.2 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 66.3 tp -58.68 -48.68 80.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.177 177.502 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 590' ' ' VAL . . . . . . . . . . . . . 75.6 t -67.84 -41.45 85.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.173 177.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 591' ' ' ALA . . . . . . . . . . . . . . . -59.78 -33.59 71.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.183 178.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 79.1 p -84.08 -9.17 58.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.196 -178.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 593' ' ' MET . . . . . . . . . . . . . 56.8 ttm -62.19 136.24 95.37 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.15 178.469 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_exo -48.77 -44.0 32.85 Favored 'Trans proline' 0 N--CA 1.458 -0.568 0 C-N-CA 121.662 1.575 . . . . 0.0 111.229 -179.491 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 595' ' ' LEU . . . . . . . . . . . . . 57.5 tp -54.81 -38.78 67.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.201 -179.396 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 596' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -108.14 10.53 28.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.189 -173.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 597' ' ' ALA . . . . . . . . . . . . . . . -59.88 -42.38 93.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.181 -173.378 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 598' ' ' ASN . . . . . . . . . . . . . 72.8 m-80 -105.86 13.81 28.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.179 -179.119 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 599' ' ' ALA . . . . . . . . . . . . . . . -80.48 146.58 31.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.201 -179.656 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 600' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -62.57 135.1 95.41 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.198 178.44 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 601' ' ' PRO . . . . . . . . . . . . . 69.5 Cg_exo -49.22 -39.06 42.54 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 121.69 1.593 . . . . 0.0 111.182 -179.467 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 602' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -72.05 -42.93 65.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.187 -179.043 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 603' ' ' PHE . . . . . . . . . . . . . 70.8 t80 -52.21 -50.57 61.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.213 173.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 604' ' ' VAL . . . . . . . . . . . . . 70.1 t -62.43 -51.18 75.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.218 -179.242 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 605' ' ' THR . . . . . . . . . . . . . 84.7 m -50.16 -42.14 50.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.23 -179.092 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 606' ' ' SER . . . . . . . . . . . . . 46.7 t -64.86 -46.77 80.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.212 177.402 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 98.1 mmm -61.48 -28.76 69.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.185 -179.718 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 608' ' ' LEU . . . . . 0.491 HD13 ' HG2' ' A' ' 587' ' ' ARG . 80.9 mt -69.77 -13.81 62.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.139 -177.16 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 609' ' ' THR . . . . . . . . . . . . . 80.5 p -103.81 4.88 35.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.223 175.677 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 610' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -103.71 -3.79 24.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.197 177.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 611' ' ' LEU . . . . . 0.492 HD23 HD21 ' A' ' 684' ' ' LEU . 25.0 mt -59.86 130.6 47.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.227 -175.479 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 612' ' ' ARG . . . . . . . . . . . . . 94.5 mtt-85 -109.66 99.72 8.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.199 174.112 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 613' ' ' PHE . . . . . . . . . . . . . 49.8 m-85 -80.82 152.28 28.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.184 -170.606 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -161.22 134.12 6.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.198 175.728 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 615' ' ' VAL . . . . . . . . . . . . . 97.4 t -92.92 142.74 12.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.216 -179.215 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 616' ' ' PHE . . . . . 0.496 ' HB2' ' SG ' ' A' ' 679' ' ' CYS . 96.6 m-85 -129.99 144.61 51.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.235 -176.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 617' ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -101.58 162.64 19.83 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.208 175.631 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 618' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_exo -51.78 127.0 21.42 Favored 'Trans proline' 0 N--CA 1.458 -0.589 0 C-N-CA 121.718 1.612 . . . . 0.0 111.186 177.393 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 619' ' ' GLY . . . . . . . . . . . . . . . 99.88 -19.99 51.0 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.206 -0.758 . . . . 0.0 111.206 176.545 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 620' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -67.41 136.6 54.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.788 0.327 . . . . 0.0 111.185 -178.403 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 621' ' ' TYR . . . . . . . . . . . . . 59.2 m-85 -92.59 140.69 29.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.199 -179.049 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 622' ' ' ILE . . . . . . . . . . . . . 5.2 mp -107.57 -40.02 4.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.179 176.178 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 623' ' ' ILE . . . . . . . . . . . . . 62.7 mt -131.11 140.65 48.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.213 177.44 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 96.6 mtt-85 -121.68 127.0 50.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.206 174.522 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 625' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -58.34 133.08 55.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.195 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 626' ' ' GLY . . . . . . . . . . . . . . . 98.49 -21.44 45.97 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 179.336 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 627' ' ' THR . . . . . . . . . . . . . 97.1 m -75.55 139.54 42.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.764 0.316 . . . . 0.0 111.235 -179.679 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 628' ' ' ILE . . . . . . . . . . . . . 95.9 mt -81.71 125.25 39.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.214 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 629' ' ' GLY . . . . . . . . . . . . . . . -178.07 136.67 3.07 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 179.191 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 630' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -119.81 48.39 1.55 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.846 0.355 . . . . 0.0 111.232 -179.666 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 631' ' ' LYS . . . . . 0.574 ' H ' ' NH2' ' A' ' 669' ' ' ARG . 98.2 mttt -118.27 135.12 54.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.216 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 632' ' ' MET . . . . . . . . . . . . . 92.7 mtp -90.55 146.16 24.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.183 175.069 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 633' ' ' TYR . . . . . . . . . . . . . 91.0 m-85 -119.35 133.57 55.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.206 -178.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 634' ' ' PHE . . . . . . . . . . . . . 34.3 m-85 -121.31 134.84 55.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.185 -177.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 635' ' ' ILE . . . . . 0.403 ' HA ' ' HG ' ' A' ' 681' ' ' LEU . 84.1 mt -88.04 113.28 24.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.237 -173.737 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 71.6 tp60 -75.9 -40.02 55.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.185 176.366 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 637' ' ' HIS . . . . . . . . . . . . . 35.3 p80 -169.96 160.66 8.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.203 171.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 638' ' ' GLY . . . . . . . . . . . . . . . 101.2 -177.21 27.34 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 -179.544 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 639' ' ' VAL . . . . . . . . . . . . . 94.4 t -117.47 123.36 71.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.772 0.32 . . . . 0.0 111.174 -176.653 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 640' ' ' VAL . . . . . . . . . . . . . 73.9 t -126.61 130.75 71.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.193 -179.243 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 641' ' ' SER . . . . . . . . . . . . . 31.0 t -93.39 132.34 37.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.169 -175.624 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 642' ' ' VAL . . . . . . . . . . . . . 88.8 t -118.07 122.52 69.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.191 179.464 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 643' ' ' LEU . . . . . . . . . . . . . 65.6 tp -115.13 112.6 22.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.206 178.085 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 644' ' ' THR . . . . . . . . . . . . . 93.8 m -99.7 139.86 34.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.153 -175.752 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 89.0 tttt -53.35 119.28 4.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.228 -176.582 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 646' ' ' GLY . . . . . . . . . . . . . . . 85.02 5.03 86.46 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.204 -0.759 . . . . 0.0 111.204 173.082 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 647' ' ' ASN . . . . . . . . . . . . . 70.5 m-80 -125.79 155.72 40.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.807 0.337 . . . . 0.0 111.228 -178.494 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 648' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -65.77 150.7 48.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.175 -179.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 649' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -65.36 133.35 51.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.187 178.615 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 650' ' ' THR . . . . . . . . . . . . . 58.2 p -125.27 164.85 19.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.19 178.366 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 651' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -125.22 139.37 53.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.224 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 90.0 mt -121.53 156.24 33.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.184 177.502 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -136.3 -172.77 3.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.22 -175.247 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 654' ' ' ASP . . . . . . . . . . . . . 68.2 t0 -44.76 123.69 3.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.178 179.477 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 655' ' ' GLY . . . . . . . . . . . . . . . 103.19 -16.66 53.23 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.232 -0.747 . . . . 0.0 111.232 173.547 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 656' ' ' SER . . . . . . . . . . . . . 74.6 m -89.84 169.75 10.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.79 0.329 . . . . 0.0 111.209 179.129 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 657' ' ' TYR . . . . . . . . . . . . . 44.8 p90 -154.91 170.0 22.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.208 -177.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 658' ' ' PHE . . . . . . . . . . . . . 34.7 p90 -158.46 163.34 37.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.231 -178.23 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 659' ' ' GLY . . . . . . . . . . . . . . . 110.17 -12.92 31.38 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 -177.62 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 660' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -54.96 -42.72 72.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.825 0.345 . . . . 0.0 111.256 -179.569 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 661' ' ' ILE . . . . . . . . . . . . . 97.1 mt -70.95 -37.93 70.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.184 178.487 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 662' ' ' CYS . . . . . . . . . . . . . 90.7 m -60.94 -35.44 76.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.199 -177.468 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 663' ' ' LEU . . . . . . . . . . . . . 7.1 mp -64.54 -19.94 65.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.173 177.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 86.3 mt -92.34 4.95 52.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.265 -176.393 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 665' ' ' THR . . . . . . . . . . . . . 30.1 p -91.91 -169.97 2.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.195 178.369 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 666' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -84.12 2.18 40.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.176 178.262 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 131.34 -33.85 2.71 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.165 -0.774 . . . . 0.0 111.165 175.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 83.7 mtp180 -80.8 141.97 34.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.853 0.359 . . . . 0.0 111.194 178.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 669' ' ' ARG . . . . . 0.574 ' NH2' ' H ' ' A' ' 631' ' ' LYS . 29.5 mmt180 -71.51 145.63 49.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.206 179.748 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 670' ' ' THR . . . . . . . . . . . . . 58.0 p -111.92 24.45 12.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.169 177.324 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 671' ' ' ALA . . . . . . . . . . . . . . . -155.57 158.62 38.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.175 -178.515 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 672' ' ' SER . . . . . . . . . . . . . 59.8 m -121.07 136.81 54.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.211 173.096 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 673' ' ' VAL . . . . . . . . . . . . . 64.9 t -133.25 134.13 57.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.227 -171.713 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 674' ' ' ARG . . . . . . . . . . . . . 37.8 ptt180 -147.45 153.51 39.66 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.234 178.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 675' ' ' ALA . . . . . . . . . . . . . . . -80.7 139.4 36.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.176 -175.318 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 676' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -95.95 -35.39 11.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.183 175.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 44.7 p -127.79 165.18 20.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.254 176.114 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 678' ' ' TYR . . . . . . . . . . . . . 67.3 t80 -56.07 112.89 1.32 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.18 174.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 679' ' ' CYS . . . . . 0.496 ' SG ' ' HB2' ' A' ' 616' ' ' PHE . 31.6 p -138.47 170.0 16.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.216 -164.839 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 680' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -138.95 133.96 32.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.251 176.553 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 681' ' ' LEU . . . . . 0.403 ' HG ' ' HA ' ' A' ' 635' ' ' ILE . 4.7 mp -127.9 173.76 9.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.213 -178.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 682' ' ' TYR . . . . . . . . . . . . . 32.1 p90 -145.07 149.39 34.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.216 167.597 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 683' ' ' SER . . . . . . . . . . . . . 28.8 t -112.67 145.32 40.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.18 -168.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 684' ' ' LEU . . . . . 0.492 HD21 HD23 ' A' ' 611' ' ' LEU . 78.6 mt -132.09 123.16 26.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.199 168.818 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 71.8 p -77.42 151.27 34.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.167 -179.322 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 686' ' ' VAL . . . . . . . . . . . . . 9.5 p -58.14 -27.87 33.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.219 173.169 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 687' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -66.63 -40.72 88.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.185 175.483 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 688' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -67.06 -40.58 87.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.172 177.385 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 689' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -58.58 -49.43 77.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.241 176.355 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 690' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -68.59 -36.82 79.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.235 -179.311 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 691' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -59.0 -51.19 71.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.245 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 692' ' ' VAL . . . . . . . . . . . . . 76.6 t -70.7 -34.69 57.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.207 179.582 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 693' ' ' LEU . . . . . 0.421 HD12 ' HB3' ' A' ' 699' ' ' MET . 28.5 tp -55.92 -43.92 77.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.215 174.67 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 694' ' ' GLU . . . . . . . . . . . . . 60.1 mt-10 -85.45 -20.36 29.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.172 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 695' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -53.58 -47.38 70.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.24 176.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 696' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -93.95 121.33 64.45 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.184 177.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 697' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_exo -54.36 -33.79 77.99 Favored 'Trans proline' 0 N--CA 1.458 -0.585 0 C-N-CA 121.687 1.591 . . . . 0.0 111.186 -179.566 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 698' ' ' MET . . . . . . . . . . . . . 99.8 mmm -67.85 -30.13 69.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.21 -178.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 699' ' ' MET . . . . . 0.421 ' HB3' HD12 ' A' ' 693' ' ' LEU . 99.3 mmm -96.8 -19.91 18.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.228 -178.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 700' ' ' ARG . . . . . . . . . . . . . 39.2 ttm180 -58.15 -33.72 69.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.204 -177.366 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -59.74 -30.82 69.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.163 -178.542 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 702' ' ' ALA . . . . . . . . . . . . . . . -67.02 -25.75 66.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.25 -179.565 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 703' ' ' PHE . . . . . . . . . . . . . 75.4 t80 -59.05 -26.81 64.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.209 179.604 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 704' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -58.79 -30.15 67.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.203 -178.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 705' ' ' THR . . . . . . . . . . . . . 64.3 p -92.3 -5.02 53.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.172 -178.511 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 706' ' ' VAL . . . . . . . . . . . . . 98.7 t -86.21 119.24 34.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.183 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 707' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.2 -1.523 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.207 179.044 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 577' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.78 0.324 . . . . 0.0 111.184 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 578' ' ' SER . . . . . . . . . . . . . 89.7 p -102.0 156.26 17.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.208 178.102 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -87.49 79.96 8.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.206 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 580' ' ' GLU . . . . . . . . . . . . . 90.3 mt-10 -78.49 166.32 22.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.191 -179.504 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 581' ' ' ILE . . . . . . . . . . . . . 97.3 mt -62.01 135.8 26.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.223 -179.147 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 47.5 pt -67.14 156.01 7.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.227 -178.148 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 583' ' ' ASN . . . . . 0.477 ' O ' ' SG ' ' A' ' 586' ' ' CYS . 94.4 m-20 -100.07 -169.7 1.77 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.165 177.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 584' ' ' PHE . . . . . . . . . . . . . 79.3 m-85 -66.54 138.19 57.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.185 -172.273 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 585' ' ' ASN . . . . . . . . . . . . . 84.2 m-20 72.45 13.71 5.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.229 168.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 586' ' ' CYS . . . . . 0.477 ' SG ' ' O ' ' A' ' 583' ' ' ASN . 57.2 m -70.33 -37.98 74.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.214 178.044 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 587' ' ' ARG . . . . . . . . . . . . . 63.7 ttm-85 -56.74 -50.05 73.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.175 177.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 588' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -67.11 -41.25 86.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.235 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 33.6 tp -57.96 -47.97 81.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.232 179.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 590' ' ' VAL . . . . . . . . . . . . . 58.3 t -66.05 -40.18 86.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.202 177.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 591' ' ' ALA . . . . . . . . . . . . . . . -70.43 -11.39 60.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.144 -175.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 66.1 m -67.06 -21.67 65.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.209 -177.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 593' ' ' MET . . . . . . . . . . . . . 73.9 mtm -54.9 128.73 64.7 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.188 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -54.68 -45.05 43.89 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 121.658 1.572 . . . . 0.0 111.216 176.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 595' ' ' LEU . . . . . . . . . . . . . 60.2 tp -62.93 -40.71 98.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.176 -177.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 596' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -100.63 14.89 29.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.155 -177.117 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 597' ' ' ALA . . . . . . . . . . . . . . . -60.0 -35.36 74.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.206 178.747 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 598' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -110.03 20.06 18.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.176 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 599' ' ' ALA . . . . . . . . . . . . . . . -67.12 149.55 50.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.228 179.627 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 600' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -58.66 143.57 81.66 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.185 178.207 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 601' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_exo -51.62 -34.47 53.08 Favored 'Trans proline' 0 N--CA 1.458 -0.598 0 C-N-CA 121.701 1.6 . . . . 0.0 111.178 175.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 602' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -72.47 -35.07 68.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.228 179.531 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 603' ' ' PHE . . . . . . . . . . . . . 10.9 m-30 -67.29 -35.26 79.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.187 176.039 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 604' ' ' VAL . . . . . . . . . . . . . 75.9 t -63.6 -51.17 73.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.184 175.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 605' ' ' THR . . . . . . . . . . . . . 88.9 m -56.99 -45.28 83.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.21 175.32 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 606' ' ' SER . . . . . . . . . . . . . 57.9 m -54.98 -49.88 70.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.232 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 77.1 mtm -56.8 -46.03 81.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.18 177.277 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 608' ' ' LEU . . . . . . . . . . . . . 84.8 mt -59.31 -39.94 84.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.21 -176.402 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 609' ' ' THR . . . . . . . . . . . . . 80.6 p -77.21 -10.62 59.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.198 -176.311 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 610' ' ' LYS . . . . . . . . . . . . . 66.2 mttm -99.87 -6.03 27.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.217 179.038 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 611' ' ' LEU . . . . . . . . . . . . . 63.7 mt -64.99 131.72 47.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.173 -177.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 612' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -103.14 133.25 48.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.165 177.378 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 613' ' ' PHE . . . . . . . . . . . . . 84.0 t80 -92.05 135.05 34.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.175 -171.4 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -151.65 132.7 14.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.195 174.15 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 615' ' ' VAL . . . . . 0.565 HG22 ' HG2' ' A' ' 680' ' ' ARG . 99.4 t -93.87 143.67 11.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.246 173.41 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 616' ' ' PHE . . . . . 0.709 ' HB2' ' SG ' ' A' ' 679' ' ' CYS . 98.1 m-85 -124.44 135.21 53.07 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.227 178.064 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 617' ' ' GLN . . . . . . . . . . . . . 17.0 pt20 -93.91 161.47 29.86 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.231 -178.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 618' ' ' PRO . . . . . 0.416 ' HG3' ' HA ' ' A' ' 677' ' ' THR . 82.0 Cg_exo -52.08 123.99 13.78 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 121.73 1.62 . . . . 0.0 111.197 176.41 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 619' ' ' GLY . . . . . . . . . . . . . . . 94.89 -12.11 68.9 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.164 -0.775 . . . . 0.0 111.164 176.279 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 620' ' ' ASP . . . . . . . . . . . . . 65.6 t0 -73.62 118.65 16.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.798 0.332 . . . . 0.0 111.169 179.243 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 621' ' ' TYR . . . . . . . . . . . . . 60.5 m-85 -72.53 140.63 48.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.26 178.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 622' ' ' ILE . . . . . . . . . . . . . 68.6 mt -107.42 -44.95 7.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.169 178.278 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 623' ' ' ILE . . . . . . . . . . . . . 75.0 mt -134.94 121.77 35.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.197 175.441 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 37.1 mmt180 -79.93 138.11 37.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.212 177.096 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 625' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -67.64 130.96 44.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.184 178.362 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 626' ' ' GLY . . . . . . . . . . . . . . . 100.09 -4.8 57.47 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 177.137 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 627' ' ' THR . . . . . . . . . . . . . 44.3 p -99.94 157.12 16.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.785 0.326 . . . . 0.0 111.194 178.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 628' ' ' ILE . . . . . 0.422 ' HA ' ' HA ' ' A' ' 668' ' ' ARG . 97.5 mt -79.52 128.41 38.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.187 -176.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 629' ' ' GLY . . . . . . . . . . . . . . . -98.91 131.97 10.76 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.146 -0.782 . . . . 0.0 111.146 177.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 630' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -131.12 -3.76 3.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.804 0.335 . . . . 0.0 111.2 -179.013 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 631' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -125.03 144.56 50.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.176 -178.577 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 632' ' ' MET . . . . . . . . . . . . . 66.2 mtp -90.7 152.44 20.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.213 169.539 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 633' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -129.1 126.6 39.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.197 177.672 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 634' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -110.64 128.15 55.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.227 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 635' ' ' ILE . . . . . . . . . . . . . 73.2 mt -92.41 99.01 9.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.181 -174.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 21.7 tm0? -73.08 -31.71 64.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.18 -178.218 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 637' ' ' HIS . . . . . . . . . . . . . 80.2 t60 -168.82 140.06 2.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.189 176.04 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 638' ' ' GLY . . . . . . . . . . . . . . . 114.02 -178.86 18.51 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 639' ' ' VAL . . . . . . . . . . . . . 95.5 t -120.12 131.25 72.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.78 0.324 . . . . 0.0 111.189 -174.337 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 640' ' ' VAL . . . . . . . . . . . . . 86.7 t -128.76 136.61 59.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.182 175.499 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 641' ' ' SER . . . . . . . . . . . . . 29.6 t -100.94 128.22 47.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.19 -177.517 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 642' ' ' VAL . . . . . . . . . . . . . 70.0 t -112.42 98.57 7.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.211 177.06 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 643' ' ' LEU . . . . . . . . . . . . . 69.6 tp -84.78 110.06 18.53 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.217 -178.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 644' ' ' THR . . . . . . . . . . . . . 97.7 m -86.97 136.34 32.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.209 -176.18 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 89.3 tttt -55.34 118.92 4.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.221 -177.142 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 646' ' ' GLY . . . . . . . . . . . . . . . 72.8 15.05 78.06 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 173.688 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 647' ' ' ASN . . . . . . . . . . . . . 63.7 m-80 -139.7 160.02 40.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.722 0.296 . . . . 0.0 111.227 -176.663 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 648' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -63.12 138.96 58.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.212 175.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 649' ' ' GLU . . . . . . . . . . . . . 19.7 pm0 -64.89 147.3 53.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.182 -178.12 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 650' ' ' THR . . . . . . . . . . . . . 95.5 m -102.89 131.05 50.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.227 174.48 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 651' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -92.76 122.67 35.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.243 -179.356 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 77.8 mt -112.9 141.61 46.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.207 177.442 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -134.43 -170.06 2.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.22 -173.551 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 654' ' ' ASP . . . . . . . . . . . . . 58.4 t0 -51.54 115.64 1.71 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.192 176.718 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 655' ' ' GLY . . . . . . . . . . . . . . . 103.36 2.85 47.7 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 179.454 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 656' ' ' SER . . . . . . . . . . . . . 44.8 m -99.86 170.5 8.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.772 0.32 . . . . 0.0 111.234 176.324 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 657' ' ' TYR . . . . . . . . . . . . . 50.0 p90 -159.85 169.53 23.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.194 175.022 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 658' ' ' PHE . . . . . . . . . . . . . 41.0 p90 -155.15 171.47 19.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.208 -179.014 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 659' ' ' GLY . . . . . . . . . . . . . . . 92.47 4.69 65.8 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.179 -0.768 . . . . 0.0 111.179 -174.463 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 660' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -55.24 -35.47 64.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.785 0.326 . . . . 0.0 111.198 -177.023 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 661' ' ' ILE . . . . . . . . . . . . . 94.1 mt -55.0 -33.93 30.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.219 -179.464 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 662' ' ' CYS . . . . . . . . . . . . . 74.0 m -56.14 -30.32 61.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.215 -176.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 663' ' ' LEU . . . . . . . . . . . . . 94.2 mt -63.07 -32.14 73.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.187 179.761 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 95.1 mt -88.83 -37.69 15.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.195 -179.359 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 665' ' ' THR . . . . . . . . . . . . . 5.3 t -159.99 129.57 5.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.197 177.32 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 666' ' ' ARG . . . . . 0.651 ' HD3' ' HB ' ' A' ' 686' ' ' VAL . 85.7 mtm180 -87.43 74.48 9.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.166 178.51 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . -118.91 -167.93 13.96 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 -176.411 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 668' ' ' ARG . . . . . 0.422 ' HA ' ' HA ' ' A' ' 628' ' ' ILE . 75.0 mtp180 -73.51 137.07 44.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.799 0.333 . . . . 0.0 111.211 179.786 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 56.3 ttt85 -90.49 130.48 36.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.216 179.617 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 670' ' ' THR . . . . . . . . . . . . . 41.2 p -93.66 42.41 1.1 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.159 178.65 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 671' ' ' ALA . . . . . . . . . . . . . . . -153.71 143.43 21.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.202 179.653 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 672' ' ' SER . . . . . . . . . . . . . 37.5 t -100.32 119.14 37.96 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.214 177.291 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 673' ' ' VAL . . . . . . . . . . . . . 58.2 t -107.85 119.02 56.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.158 -175.563 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 674' ' ' ARG . . . . . . . . . . . . . 59.7 ttp180 -136.09 136.97 40.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.174 -177.551 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 675' ' ' ALA . . . . . . . . . . . . . . . -71.64 139.29 49.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.168 -179.418 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 676' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -99.7 -36.53 9.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.187 -179.404 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 677' ' ' THR . . . . . 0.416 ' HA ' ' HG3' ' A' ' 618' ' ' PRO . 37.2 p -123.63 177.4 5.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.171 179.555 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 678' ' ' TYR . . . . . . . . . . . . . 84.2 m-85 -69.92 93.21 0.75 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.233 170.625 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 679' ' ' CYS . . . . . 0.709 ' SG ' ' HB2' ' A' ' 616' ' ' PHE . 27.7 p -114.42 152.76 31.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.206 -166.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 680' ' ' ARG . . . . . 0.565 ' HG2' HG22 ' A' ' 615' ' ' VAL . 99.6 mtt180 -112.93 114.75 27.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.155 -179.338 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 681' ' ' LEU . . . . . . . . . . . . . 7.9 mp -116.34 149.96 38.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.173 -173.003 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 682' ' ' TYR . . . . . . . . . . . . . 75.0 m-85 -116.4 128.33 55.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.202 169.319 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 683' ' ' SER . . . . . . . . . . . . . 96.5 p -111.1 155.02 23.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.217 -175.101 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 684' ' ' LEU . . . . . . . . . . . . . 41.4 tp -162.62 133.89 5.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.24 176.082 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 72.3 p -77.06 155.76 32.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.226 -173.162 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 686' ' ' VAL . . . . . 0.651 ' HB ' ' HD3' ' A' ' 666' ' ' ARG . 69.3 t -62.52 -32.98 57.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.206 173.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 687' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -58.94 -41.58 87.71 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.204 175.613 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 688' ' ' ASN . . . . . . . . . . . . . 97.2 m-20 -74.23 -35.7 63.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.164 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 689' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -57.91 -42.55 84.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.189 171.188 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 690' ' ' ASN . . . . . . . . . . . . . 97.1 m-20 -65.07 -38.2 90.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.255 176.667 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 691' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -59.71 -41.46 90.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.165 177.755 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 692' ' ' VAL . . . . . . . . . . . . . 57.4 t -65.11 -49.14 80.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.173 176.597 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 693' ' ' LEU . . . . . . . . . . . . . 84.6 mt -62.86 -29.37 70.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.185 -178.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 694' ' ' GLU . . . . . . . . . . . . . 61.5 mt-10 -100.5 14.05 32.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.145 -179.442 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 695' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -68.71 -40.85 79.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.194 179.732 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 696' ' ' TYR . . . . . . . . . . . . . 22.1 m-30 -100.0 129.95 27.32 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.216 174.325 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 697' ' ' PRO . . . . . . . . . . . . . 80.6 Cg_exo -53.3 -37.05 80.53 Favored 'Trans proline' 0 N--CA 1.458 -0.58 0 C-N-CA 121.699 1.599 . . . . 0.0 111.207 179.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 698' ' ' MET . . . . . . . . . . . . . 99.9 mmm -63.8 -30.1 71.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.204 -177.695 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 699' ' ' MET . . . . . . . . . . . . . 99.1 mmm -97.74 -20.01 17.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.199 179.17 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 700' ' ' ARG . . . . . . . . . . . . . 35.7 ttm180 -64.95 -36.96 86.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.207 174.549 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -71.71 -34.42 69.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.252 174.032 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 702' ' ' ALA . . . . . . . . . . . . . . . -69.89 -29.64 66.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.168 176.26 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 703' ' ' PHE . . . . . . . . . . . . . 77.5 t80 -64.02 -16.77 62.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.244 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 704' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -58.57 -25.3 62.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.235 178.205 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 705' ' ' THR . . . . . . . . . . . . . 69.3 p -109.22 23.41 14.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.211 178.243 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 706' ' ' VAL . . . . . . . . . . . . . 84.1 t -126.96 129.79 71.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.22 -178.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 707' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.2 -1.522 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.216 178.442 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 577' ' ' ASN . . . . . . . . . . . . . 46.3 p-10 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.791 0.329 . . . . 0.0 111.232 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 578' ' ' SER . . . . . . . . . . . . . 34.6 t -87.43 113.59 23.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.231 -177.725 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -97.49 73.37 2.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.236 -176.647 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 580' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -123.18 160.11 27.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.216 -175.434 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 581' ' ' ILE . . . . . . . . . . . . . 93.2 mt -74.15 137.37 23.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.229 178.647 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 46.0 mm -59.9 134.87 25.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.21 -179.192 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 583' ' ' ASN . . . . . . . . . . . . . 72.6 m-20 -70.08 158.6 35.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.188 -173.166 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 584' ' ' PHE . . . . . . . . . . . . . 72.6 m-85 -66.74 149.23 50.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.213 177.542 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 585' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 66.92 14.72 9.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.154 -177.321 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 586' ' ' CYS . . . . . . . . . . . . . 62.0 m -128.9 -24.19 2.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.213 174.127 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 587' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -58.79 -36.78 74.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.171 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 588' ' ' LYS . . . . . . . . . . . . . 64.6 pttt -61.99 -24.2 66.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.208 178.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 83.9 mt -90.96 -40.35 11.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.19 -179.128 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 590' ' ' VAL . . . . . . . . . . . . . 73.6 t -68.76 -31.85 52.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.21 178.137 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 591' ' ' ALA . . . . . . . . . . . . . . . -83.94 6.96 19.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.22 -176.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 61.5 p -80.3 -9.27 59.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.207 173.714 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 593' ' ' MET . . . . . . . . . . . . . 65.3 mtt -64.23 152.94 87.16 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.197 178.72 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 81.7 Cg_exo -54.94 -39.91 88.26 Favored 'Trans proline' 0 N--CA 1.459 -0.548 0 C-N-CA 121.71 1.607 . . . . 0.0 111.161 -178.077 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 595' ' ' LEU . . . . . . . . . . . . . 52.8 tp -52.04 -49.76 62.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.158 178.788 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 596' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -79.3 -33.32 43.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.215 -172.619 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 597' ' ' ALA . . . . . . . . . . . . . . . -60.21 -39.17 85.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.168 175.533 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 598' ' ' ASN . . . . . . . . . . . . . 73.1 m-80 -99.96 30.05 3.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.168 178.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 599' ' ' ALA . . . . . . . . . . . . . . . -125.12 151.47 45.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.158 177.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 600' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -65.67 151.89 93.84 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.199 176.1 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 601' ' ' PRO . . . . . . . . . . . . . 82.8 Cg_exo -51.66 -36.33 60.71 Favored 'Trans proline' 0 N--CA 1.458 -0.589 0 C-N-CA 121.726 1.617 . . . . 0.0 111.164 177.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 602' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -66.08 -40.88 91.17 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.23 177.217 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 603' ' ' PHE . . . . . . . . . . . . . 13.8 m-30 -67.67 -34.04 76.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.232 178.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 604' ' ' VAL . . . . . . . . . . . . . 66.6 t -62.28 -53.29 49.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.21 175.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 605' ' ' THR . . . . . . . . . . . . . 97.4 m -53.25 -48.4 68.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.214 179.019 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 606' ' ' SER . . . . . . . . . . . . . 58.3 m -63.69 -50.62 68.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.241 -177.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 61.0 mtt -61.62 -37.72 85.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.186 -173.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 608' ' ' LEU . . . . . . . . . . . . . 80.8 mt -64.6 -15.97 61.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.221 -176.378 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 609' ' ' THR . . . . . . . . . . . . . 69.7 p -100.45 -4.29 29.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.181 178.709 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 610' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -113.99 -15.78 12.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.232 -176.341 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 611' ' ' LEU . . . . . 0.414 HD22 ' HB3' ' A' ' 682' ' ' TYR . 76.4 mt -52.72 131.21 34.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.211 178.315 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 612' ' ' ARG . . . . . . . . . . . . . 53.1 ttp180 -104.88 122.15 45.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.205 172.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 613' ' ' PHE . . . . . . . . . . . . . 59.1 t80 -86.15 122.14 29.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.193 -177.546 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -129.82 126.15 37.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.173 -179.453 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 615' ' ' VAL . . . . . . . . . . . . . 99.3 t -98.38 140.54 17.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.195 175.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 616' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -127.44 140.03 52.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.233 -179.086 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 617' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -93.27 162.22 28.75 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.179 -178.218 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 618' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_exo -54.01 117.14 3.57 Favored 'Trans proline' 0 N--CA 1.458 -0.576 0 C-N-CA 121.654 1.569 . . . . 0.0 111.234 175.466 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 619' ' ' GLY . . . . . 0.437 ' O ' ' HD2' ' A' ' 674' ' ' ARG . . . 94.95 -4.98 68.55 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.173 -0.771 . . . . 0.0 111.173 177.489 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 620' ' ' ASP . . . . . . . . . . . . . 64.7 t0 -78.34 123.67 27.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.778 0.323 . . . . 0.0 111.2 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 621' ' ' TYR . . . . . . . . . . . . . 44.3 m-85 -68.75 141.19 55.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.173 178.022 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 622' ' ' ILE . . . . . . . . . . . . . 89.1 mt -100.73 -40.18 7.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.166 175.212 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 623' ' ' ILE . . . . . . . . . . . . . 19.1 tt -160.01 137.2 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.21 176.673 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -108.34 148.48 30.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.238 -175.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 625' ' ' GLU . . . . . . . . . . . . . 23.4 pt-20 -70.09 157.17 38.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.225 -179.158 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 626' ' ' GLY . . . . . . . . . . . . . . . 88.24 12.34 65.58 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 178.054 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 627' ' ' THR . . . . . . . . . . . . . 59.3 p -121.68 157.09 31.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.821 0.344 . . . . 0.0 111.191 178.404 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 628' ' ' ILE . . . . . . . . . . . . . 70.0 mt -99.54 80.09 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.167 -179.477 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 629' ' ' GLY . . . . . . . . . . . . . . . -77.76 147.36 32.2 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 -179.493 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 630' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -129.96 30.26 4.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.789 0.328 . . . . 0.0 111.247 176.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 631' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -128.42 139.73 52.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.191 -179.033 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 632' ' ' MET . . . . . . . . . . . . . 64.3 mtt -93.03 143.34 26.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.233 172.206 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 633' ' ' TYR . . . . . . . . . . . . . 90.4 m-85 -119.85 124.81 46.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.214 -175.692 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 634' ' ' PHE . . . . . . . . . . . . . 77.2 m-85 -120.16 131.18 54.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.158 -176.63 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 635' ' ' ILE . . . . . . . . . . . . . 75.8 mt -91.71 109.78 21.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.231 -172.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 70.6 tp60 -78.08 -37.86 45.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.202 176.642 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 637' ' ' HIS . . . . . . . . . . . . . 81.7 t60 -162.4 142.08 9.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.177 174.648 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 638' ' ' GLY . . . . . . . . . . . . . . . 113.03 177.63 19.58 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 177.122 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 639' ' ' VAL . . . . . . . . . . . . . 85.5 t -124.84 138.0 55.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.782 0.325 . . . . 0.0 111.231 -177.514 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 640' ' ' VAL . . . . . . . . . . . . . 17.6 m -123.98 147.53 28.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.179 177.207 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 641' ' ' SER . . . . . . . . . . . . . 29.1 t -95.01 123.47 38.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.224 176.16 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 642' ' ' VAL . . . . . 0.415 HG22 HG22 ' A' ' 673' ' ' VAL . 58.6 t -111.68 114.68 47.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.21 -177.829 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 643' ' ' LEU . . . . . . . . . . . . . 64.5 tp -112.59 120.0 40.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.182 -178.255 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 644' ' ' THR . . . . . . . . . . . . . 92.1 m -112.4 144.41 41.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.182 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -54.27 144.87 19.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.232 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 646' ' ' GLY . . . . . . . . . . . . . . . 100.6 7.92 50.2 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 -173.374 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 647' ' ' ASN . . . . . . . . . . . . . 52.7 t30 69.86 47.29 0.62 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.778 0.323 . . . . 0.0 111.162 179.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 648' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -110.18 94.52 5.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.22 179.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 649' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -100.05 120.04 39.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.199 -177.094 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 650' ' ' THR . . . . . . . . . . . . . 63.2 p -134.56 172.71 12.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.165 176.411 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 651' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -133.23 145.34 50.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.159 177.524 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 91.1 mt -121.75 149.3 43.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.163 176.28 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -129.48 -169.75 2.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.164 -170.698 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 654' ' ' ASP . . . . . . . . . . . . . 65.3 t0 -55.96 121.81 10.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.214 178.26 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 655' ' ' GLY . . . . . . . . . . . . . . . 100.05 -6.07 58.12 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 -179.721 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 656' ' ' SER . . . . . . . . . . . . . 34.4 m -93.76 169.77 10.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.798 0.332 . . . . 0.0 111.203 175.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 657' ' ' TYR . . . . . . . . . . . . . 34.1 p90 -157.53 169.1 25.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.197 178.524 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 658' ' ' PHE . . . . . . . . . . . . . 40.9 p90 -159.72 171.02 20.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.178 -177.574 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 659' ' ' GLY . . . . . . . . . . . . . . . 90.59 1.99 73.49 Favored Glycine 0 CA--C 1.522 0.521 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 177.594 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 660' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -59.58 -53.74 54.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.811 0.338 . . . . 0.0 111.221 178.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 661' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.05 -40.48 87.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.203 178.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 662' ' ' CYS . . . . . . . . . . . . . 42.2 t -54.57 -54.54 40.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.164 179.31 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 663' ' ' LEU . . . . . 0.563 HD23 ' C ' ' A' ' 663' ' ' LEU . 8.5 tt -60.42 -43.57 96.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.222 -179.87 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 81.0 mt -61.1 -39.76 91.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.171 -177.526 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 665' ' ' THR . . . . . . . . . . . . . 67.9 p -80.7 165.88 21.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.151 179.681 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 666' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -120.06 47.14 1.8 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.151 178.459 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . -148.88 -171.52 17.72 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 111.176 -0.769 . . . . 0.0 111.176 -178.037 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 89.9 mtm180 -79.26 137.98 37.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.815 0.341 . . . . 0.0 111.212 -178.074 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 77.5 ttt180 -76.77 141.72 40.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.195 -179.639 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 670' ' ' THR . . . . . . . . . . . . . 40.1 p -102.47 38.23 1.74 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.18 -179.595 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 671' ' ' ALA . . . . . . . . . . . . . . . -159.2 155.51 27.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.215 -177.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 672' ' ' SER . . . . . . . . . . . . . 95.9 p -132.91 155.37 49.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.195 178.565 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 673' ' ' VAL . . . . . 0.415 HG22 HG22 ' A' ' 642' ' ' VAL . 47.4 t -135.0 129.96 51.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.237 -177.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 674' ' ' ARG . . . . . 0.437 ' HD2' ' O ' ' A' ' 619' ' ' GLY . 60.1 ttp180 -131.12 134.1 46.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.186 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 675' ' ' ALA . . . . . . . . . . . . . . . -68.08 130.72 43.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.213 -177.045 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 676' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -85.83 -20.87 28.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.222 -178.32 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 677' ' ' THR . . . . . 0.441 ' O ' ' SG ' ' A' ' 679' ' ' CYS . 14.7 t -155.72 -169.04 2.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.189 -178.557 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 678' ' ' TYR . . . . . . . . . . . . . 89.7 t80 -59.99 99.88 0.08 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.242 172.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 679' ' ' CYS . . . . . 0.441 ' SG ' ' O ' ' A' ' 677' ' ' THR . 79.3 m -113.3 141.22 47.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.203 -171.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 680' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -115.82 115.07 25.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.218 174.58 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 681' ' ' LEU . . . . . . . . . . . . . 5.8 mp -119.96 155.25 33.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.182 -174.021 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 682' ' ' TYR . . . . . 0.414 ' HB3' HD22 ' A' ' 611' ' ' LEU . 80.3 m-85 -116.21 138.92 50.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.2 166.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 683' ' ' SER . . . . . . . . . . . . . 66.2 m -116.51 143.05 46.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.176 -177.33 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 684' ' ' LEU . . . . . 0.408 ' HG ' HD23 ' A' ' 611' ' ' LEU . 74.4 mt -133.48 127.4 33.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.241 170.391 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 85.0 p -83.74 158.81 21.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.218 179.181 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 686' ' ' VAL . . . . . . . . . . . . . 10.6 p -56.09 -31.54 31.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.237 171.58 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 687' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -64.3 -44.04 92.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.205 176.169 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 688' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -63.29 -43.5 97.71 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.148 176.489 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 689' ' ' PHE . . . . . . . . . . . . . 33.8 m-85 -62.75 -34.44 77.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.24 179.574 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 690' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -68.21 -44.1 76.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.18 175.505 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 691' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -58.45 -41.51 85.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.142 -179.098 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 692' ' ' VAL . . . . . . . . . . . . . 55.7 t -50.37 -35.11 12.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.236 177.65 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 693' ' ' LEU . . . . . . . . . . . . . 79.7 mt -94.74 -5.0 46.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.21 -172.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 694' ' ' GLU . . . . . 0.528 ' HA ' ' HE ' ' A' ' 700' ' ' ARG . 96.6 mt-10 -109.89 -10.97 14.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.2 -177.61 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 695' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -74.24 -7.61 53.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.204 174.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 696' ' ' TYR . . . . . . . . . . . . . 39.4 m-85 -125.56 80.79 65.61 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.154 178.15 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 697' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_exo -55.5 -31.53 78.72 Favored 'Trans proline' 0 N--CA 1.459 -0.533 0 C-N-CA 121.682 1.588 . . . . 0.0 111.195 -178.046 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 698' ' ' MET . . . . . . . . . . . . . 100.0 mmm -63.6 -31.76 73.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.191 -175.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 699' ' ' MET . . . . . . . . . . . . . 97.1 mmm -118.76 10.02 12.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.179 -178.491 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 700' ' ' ARG . . . . . 0.528 ' HE ' ' HA ' ' A' ' 694' ' ' GLU . 40.3 ttm180 -60.04 -34.48 73.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.207 -177.738 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -71.38 -39.22 71.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.185 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 702' ' ' ALA . . . . . . . . . . . . . . . -69.27 -28.82 66.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.202 175.268 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 703' ' ' PHE . . . . . . . . . . . . . 21.1 m-30 -80.03 -0.15 34.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.19 -177.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 704' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -64.58 -21.71 66.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.18 175.634 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 705' ' ' THR . . . . . . . . . . . . . 82.0 p -97.19 6.2 48.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.257 178.28 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 706' ' ' VAL . . . . . . . . . . . . . 87.4 t -105.56 128.46 59.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.199 -179.164 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 707' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.2 -1.519 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.209 177.194 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 577' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.736 0.303 . . . . 0.0 111.202 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 578' ' ' SER . . . . . . . . . . . . . 83.8 p -92.06 -176.81 4.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.177 -177.607 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -89.94 83.36 6.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.223 176.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 580' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -72.34 169.61 15.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.209 -175.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 581' ' ' ILE . . . . . . . . . . . . . 97.0 mt -63.81 133.41 29.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.167 179.403 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 582' ' ' ILE . . . . . 0.407 HD12 ' HB3' ' A' ' 586' ' ' CYS . 44.9 pt -73.55 153.47 7.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.17 -175.161 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 583' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -64.94 165.51 10.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.169 -179.388 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 584' ' ' PHE . . . . . . . . . . . . . 69.9 t80 -60.82 119.85 9.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.169 177.324 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 585' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 55.8 39.2 30.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.222 -175.515 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 586' ' ' CYS . . . . . 0.407 ' HB3' HD12 ' A' ' 582' ' ' ILE . 41.8 t -56.34 -28.78 60.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.213 175.356 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 587' ' ' ARG . . . . . . . . . . . . . 60.0 ttp180 -46.85 -41.66 16.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.234 174.718 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 588' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -69.62 -25.18 63.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.166 -176.755 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 95.5 mt -80.7 -36.23 32.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.199 -178.182 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 590' ' ' VAL . . . . . . . . . . . . . 70.1 t -77.42 -38.39 26.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.209 175.456 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 591' ' ' ALA . . . . . . . . . . . . . . . -68.4 -14.12 62.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.198 -174.612 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 59.8 p -63.52 -24.9 68.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.222 177.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 593' ' ' MET . . . . . 0.415 ' HG2' ' H ' ' A' ' 595' ' ' LEU . 53.4 ttm -69.96 133.35 88.1 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.183 174.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 99.9 Cg_exo -51.76 -37.46 65.15 Favored 'Trans proline' 0 N--CA 1.459 -0.559 0 C-N-CA 121.656 1.57 . . . . 0.0 111.225 -179.309 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 595' ' ' LEU . . . . . 0.415 ' H ' ' HG2' ' A' ' 593' ' ' MET . 88.1 mt -61.57 -29.65 70.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.192 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 596' ' ' PHE . . . . . . . . . . . . . 72.9 m-85 -107.85 14.55 25.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.207 -179.233 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 597' ' ' ALA . . . . . . . . . . . . . . . -71.85 -48.9 42.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.217 -179.597 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 598' ' ' ASN . . . . . . . . . . . . . 72.6 m-80 -110.13 12.94 23.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.227 -179.346 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 599' ' ' ALA . . . . . . . . . . . . . . . -66.85 149.97 49.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.204 -179.176 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 600' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -64.16 134.77 96.06 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.218 179.22 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 601' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_exo -51.08 -36.62 55.47 Favored 'Trans proline' 0 N--CA 1.457 -0.631 0 C-N-CA 121.726 1.617 . . . . 0.0 111.184 -178.066 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 602' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -70.46 -41.44 72.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.197 -178.518 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 603' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -61.28 -44.03 97.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.184 175.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 604' ' ' VAL . . . . . . . . . . . . . 78.5 t -62.52 -45.55 98.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.153 178.021 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 605' ' ' THR . . . . . . . . . . . . . 88.7 m -55.15 -48.52 73.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.192 177.06 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 606' ' ' SER . . . . . . . . . . . . . 73.6 m -54.29 -45.81 72.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.223 177.636 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 33.0 mmt -60.13 -46.01 91.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.137 176.154 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 608' ' ' LEU . . . . . 0.401 HD23 HD11 ' A' ' 611' ' ' LEU . 80.1 mt -55.96 -40.42 73.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.169 -177.065 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 609' ' ' THR . . . . . . . . . . . . . 65.9 p -76.48 -14.99 60.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.192 -178.341 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 610' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -104.87 8.65 34.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.205 -178.317 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 611' ' ' LEU . . . . . 0.443 HD23 ' CD2' ' A' ' 684' ' ' LEU . 80.3 mt -64.21 130.34 43.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.201 178.284 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 612' ' ' ARG . . . . . . . . . . . . . 75.7 ttt180 -102.46 123.76 46.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.223 177.197 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 613' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -102.02 147.77 26.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.222 -174.271 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -154.24 132.12 11.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.217 -178.463 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 615' ' ' VAL . . . . . . . . . . . . . 88.1 t -86.3 141.32 14.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.191 178.018 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 616' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -128.84 133.62 48.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.212 -179.647 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 617' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -90.9 165.18 22.86 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.235 179.263 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 618' ' ' PRO . . . . . . . . . . . . . 69.9 Cg_exo -54.51 117.06 3.54 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 121.707 1.605 . . . . 0.0 111.247 175.036 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 619' ' ' GLY . . . . . . . . . . . . . . . 94.78 -5.07 69.24 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 178.061 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 620' ' ' ASP . . . . . . . . . . . . . 62.7 t0 -74.77 125.86 29.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.767 0.317 . . . . 0.0 111.173 178.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 621' ' ' TYR . . . . . . . . . . . . . 53.5 m-85 -77.05 140.11 40.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.161 -175.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 622' ' ' ILE . . . . . . . . . . . . . 77.4 mt -105.74 -42.96 7.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.178 176.16 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 623' ' ' ILE . . . . . . . . . . . . . 59.1 mt -130.27 136.89 57.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.21 178.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 96.3 mtt-85 -120.11 124.79 46.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.225 172.733 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 625' ' ' GLU . . . . . . . . . . . . . 23.2 pt-20 -66.99 156.12 36.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.172 -179.64 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 626' ' ' GLY . . . . . . . . . . . . . . . 92.09 7.42 64.09 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.191 -0.764 . . . . 0.0 111.191 179.646 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 627' ' ' THR . . . . . . . . . . . . . 70.6 p -122.53 153.83 38.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.846 0.355 . . . . 0.0 111.19 176.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 628' ' ' ILE . . . . . . . . . . . . . 46.3 mm -64.02 127.18 24.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.22 -175.654 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 629' ' ' GLY . . . . . . . . . . . . . . . -87.01 141.59 17.77 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 630' ' ' LYS . . . . . . . . . . . . . 62.1 pttt -169.61 21.6 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.829 0.347 . . . . 0.0 111.229 -178.413 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 631' ' ' LYS . . . . . 0.479 ' HB2' HH22 ' A' ' 669' ' ' ARG . 98.6 mttt -142.25 150.04 40.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.219 179.479 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 632' ' ' MET . . . . . . . . . . . . . 71.6 mtm -118.98 137.94 53.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.187 172.403 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 633' ' ' TYR . . . . . . . . . . . . . 83.6 m-85 -115.08 136.24 53.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.186 -170.083 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 634' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 -120.26 139.85 52.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.224 175.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 635' ' ' ILE . . . . . 0.435 HG12 HD21 ' A' ' 681' ' ' LEU . 73.5 mt -92.89 103.06 14.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.159 -177.546 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -62.93 -51.0 68.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.165 174.652 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 637' ' ' HIS . . . . . . . . . . . . . 53.5 p-80 -159.07 169.1 25.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.167 172.161 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 638' ' ' GLY . . . . . . . . . . . . . . . 91.37 -175.53 39.39 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.174 -0.77 . . . . 0.0 111.174 178.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 639' ' ' VAL . . . . . . . . . . . . . 91.6 t -125.92 137.31 58.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.814 0.34 . . . . 0.0 111.209 -177.038 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 640' ' ' VAL . . . . . . . . . . . . . 30.4 m -124.84 154.49 32.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.229 175.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 641' ' ' SER . . . . . . . . . . . . . 33.4 t -105.34 123.36 47.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.162 176.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 642' ' ' VAL . . . . . 0.41 HG22 HG22 ' A' ' 673' ' ' VAL . 64.0 t -110.62 114.08 46.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.185 -179.126 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 643' ' ' LEU . . . . . . . . . . . . . 69.5 tp -111.28 114.02 26.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.184 -178.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 644' ' ' THR . . . . . 0.404 ' HB ' ' HB2' ' A' ' 648' ' ' LYS . 97.1 m -99.88 139.94 34.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.194 -178.754 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -50.27 126.86 15.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.233 -179.042 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 646' ' ' GLY . . . . . . . . . . . . . . . 118.47 10.17 8.85 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 -175.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 647' ' ' ASN . . . . . . . . . . . . . 53.0 t30 69.06 45.81 0.87 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.79 0.329 . . . . 0.0 111.162 -179.591 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 648' ' ' LYS . . . . . 0.404 ' HB2' ' HB ' ' A' ' 644' ' ' THR . 94.0 mttt -109.69 90.05 3.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.179 178.358 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 649' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -97.61 111.9 23.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.18 -175.414 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 650' ' ' THR . . . . . . . . . . . . . 71.6 p -125.95 167.29 15.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.21 175.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 651' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -128.84 145.46 51.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.201 178.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 85.9 mt -126.58 152.96 45.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.188 178.195 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -133.64 -177.66 4.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.191 -172.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 654' ' ' ASP . . . . . . . . . . . . . 66.6 t0 -43.01 124.14 3.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.191 179.027 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 655' ' ' GLY . . . . . . . . . . . . . . . 100.61 -5.4 56.91 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 172.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 656' ' ' SER . . . . . . . . . . . . . 74.1 m -98.08 175.85 5.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.806 0.336 . . . . 0.0 111.219 177.504 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 657' ' ' TYR . . . . . . . . . . . . . 30.2 p90 -150.76 168.18 25.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.212 -178.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 658' ' ' PHE . . . . . . . . . . . . . 42.8 p90 -161.02 159.89 29.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.217 178.474 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 659' ' ' GLY . . . . . 0.571 ' HA2' ' SG ' ' A' ' 662' ' ' CYS . . . 93.23 7.5 62.15 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 178.717 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 660' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -54.87 -50.16 69.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.79 0.328 . . . . 0.0 111.21 179.58 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 661' ' ' ILE . . . . . . . . . . . . . 95.1 mt -67.96 -32.86 58.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.19 -177.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 662' ' ' CYS . . . . . 0.571 ' SG ' ' HA2' ' A' ' 659' ' ' GLY . 78.6 m -54.66 -50.43 68.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.214 -176.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 663' ' ' LEU . . . . . . . . . . . . . 17.9 tp -80.02 -39.94 28.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.204 179.52 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 59.8 tp -53.26 -44.85 68.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.225 -179.522 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 665' ' ' THR . . . . . . . . . . . . . 45.3 p -101.51 -168.95 1.62 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.22 178.554 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 666' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -125.37 159.93 30.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.138 178.685 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 109.83 -171.83 15.34 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 178.34 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 92.0 mtm180 -80.64 155.09 27.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.81 0.338 . . . . 0.0 111.222 -178.473 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 669' ' ' ARG . . . . . 0.57 ' HE ' ' HB3' ' A' ' 662' ' ' CYS . 97.9 mtt180 -79.39 141.54 36.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.185 178.302 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 670' ' ' THR . . . . . . . . . . . . . 60.7 p -109.72 26.53 10.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.235 179.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 671' ' ' ALA . . . . . . . . . . . . . . . -150.79 151.02 31.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.229 -179.575 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 672' ' ' SER . . . . . . . . . . . . . 67.5 m -121.99 152.06 40.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.222 177.073 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 673' ' ' VAL . . . . . 0.41 HG22 HG22 ' A' ' 642' ' ' VAL . 58.6 t -135.04 132.98 53.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.253 -178.266 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 674' ' ' ARG . . . . . . . . . . . . . 58.6 ttp180 -134.96 133.8 39.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.199 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 675' ' ' ALA . . . . . . . . . . . . . . . -69.28 132.65 46.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.193 -177.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 676' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -86.57 -19.25 29.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.169 -175.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 14.0 t -152.33 -176.23 5.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.18 -178.668 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 678' ' ' TYR . . . . . . . . . . . . . 76.7 t80 -81.47 122.3 27.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.221 178.247 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 679' ' ' CYS . . . . . . . . . . . . . 30.9 p -166.46 -175.65 3.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.259 -175.358 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 680' ' ' ARG . . . . . . . . . . . . . 38.2 ttm180 -130.03 139.99 50.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.21 179.643 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 681' ' ' LEU . . . . . 0.435 HD21 HG12 ' A' ' 635' ' ' ILE . 4.6 mp -124.31 171.75 9.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.148 174.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 682' ' ' TYR . . . . . . . . . . . . . 51.4 p90 -146.15 147.85 31.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.188 173.155 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 683' ' ' SER . . . . . . . . . . . . . 88.7 p -138.36 161.99 35.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.23 -167.148 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 684' ' ' LEU . . . . . 0.443 ' CD2' HD23 ' A' ' 611' ' ' LEU . 61.3 mt -116.33 134.72 54.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.197 170.052 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 26.1 t -100.66 149.43 23.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.179 178.027 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 686' ' ' VAL . . . . . . . . . . . . . 7.6 p -52.94 -29.1 14.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.237 174.17 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 687' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -61.16 -43.82 98.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.192 175.437 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 688' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -66.67 -37.81 85.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.222 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 689' ' ' PHE . . . . . . . . . . . . . 37.0 m-85 -62.53 -46.17 89.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.205 175.164 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 690' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -59.97 -40.03 87.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.204 -179.508 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 691' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -55.64 -51.02 68.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.211 177.394 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 692' ' ' VAL . . . . . . . . . . . . . 65.8 t -66.76 -40.83 86.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.219 -178.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 693' ' ' LEU . . . . . . . . . . . . . 92.2 mt -63.9 -39.73 94.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.199 -177.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 694' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -76.27 -33.05 59.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.198 177.214 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 695' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -65.3 -41.27 94.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.186 -179.274 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 696' ' ' TYR . . . . . . . . . . . . . 86.8 m-85 -116.28 101.9 53.72 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.194 177.616 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 697' ' ' PRO . . . . . . . . . . . . . 80.6 Cg_exo -53.7 -32.3 64.67 Favored 'Trans proline' 0 N--CA 1.458 -0.592 0 C-N-CA 121.69 1.593 . . . . 0.0 111.177 -179.022 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 698' ' ' MET . . . . . . . . . . . . . 99.6 mmm -65.44 -35.8 82.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.189 178.384 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 699' ' ' MET . . . . . . . . . . . . . 67.3 mtt -80.11 -29.95 39.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.136 -179.722 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 700' ' ' ARG . . . . . . . . . . . . . 80.2 ttt180 -41.58 -55.77 2.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.203 -178.157 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -84.66 -40.4 17.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.202 -175.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 702' ' ' ALA . . . . . . . . . . . . . . . -56.02 -40.02 72.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.198 -175.446 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 703' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -112.26 22.51 14.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.198 -176.506 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 704' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -64.18 -35.15 79.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.24 178.499 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 705' ' ' THR . . . . . . . . . . . . . 81.1 p -91.44 1.22 57.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.193 -178.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 706' ' ' VAL . . . . . . . . . . . . . 83.9 t -97.3 107.75 20.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.233 -179.707 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 707' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.2 -1.516 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.179 -177.757 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 577' ' ' ASN . . . . . . . . . . . . . 73.0 m-80 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.759 0.314 . . . . 0.0 111.215 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 578' ' ' SER . . . . . . . . . . . . . 96.6 p -84.28 -14.46 49.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.151 -178.519 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -69.05 145.36 53.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.212 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 580' ' ' GLU . . . . . 0.432 ' HB3' ' HG2' ' A' ' 612' ' ' ARG . 44.2 tt0 -66.02 140.66 58.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.167 179.762 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 581' ' ' ILE . . . . . . . . . . . . . 83.4 mt -89.88 133.84 30.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.219 177.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 15.9 tt -65.45 153.4 8.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.221 -179.178 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 583' ' ' ASN . . . . . 0.439 ' O ' ' SG ' ' A' ' 586' ' ' CYS . 53.9 t30 -40.04 127.43 2.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.243 176.306 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 584' ' ' PHE . . . . . . . . . . . . . 78.8 m-85 -71.1 155.58 40.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.231 -174.321 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 585' ' ' ASN . . . . . . . . . . . . . 56.0 t30 66.46 46.18 1.96 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.216 -177.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 586' ' ' CYS . . . . . 0.439 ' SG ' ' O ' ' A' ' 583' ' ' ASN . 19.3 p -130.73 5.87 4.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.158 177.66 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 587' ' ' ARG . . . . . . . . . . . . . 58.6 ttp180 -46.55 -42.04 15.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.235 -177.045 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 588' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -62.09 -49.71 74.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.203 178.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 94.9 mt -62.43 -32.62 73.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.187 -177.001 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 590' ' ' VAL . . . . . . . . . . . . . 75.6 t -71.87 -50.1 40.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.212 175.26 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 591' ' ' ALA . . . . . . . . . . . . . . . -66.63 -22.06 66.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.196 -175.688 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 53.2 p -65.86 -19.6 65.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.203 -179.579 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 593' ' ' MET . . . . . . . . . . . . . 97.4 mmm -79.85 138.4 53.84 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.199 177.236 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 70.0 Cg_exo -52.44 -40.37 71.62 Favored 'Trans proline' 0 N--CA 1.457 -0.628 0 C-N-CA 121.674 1.583 . . . . 0.0 111.214 -174.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 595' ' ' LEU . . . . . . . . . . . . . 65.7 tp -50.64 -44.38 57.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.234 -179.04 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 596' ' ' PHE . . . . . . . . . . . . . 99.8 m-85 -94.75 -25.3 16.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.189 -172.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 597' ' ' ALA . . . . . . . . . . . . . . . -60.5 -39.26 87.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.194 174.68 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 598' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -92.99 10.57 30.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.239 -179.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 599' ' ' ALA . . . . . . . . . . . . . . . -106.56 155.97 19.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.182 178.566 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 600' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -60.68 132.14 91.29 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.199 178.169 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 601' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_exo -53.32 -34.47 70.63 Favored 'Trans proline' 0 N--CA 1.458 -0.599 0 C-N-CA 121.681 1.587 . . . . 0.0 111.189 -179.182 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 602' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -67.04 -29.77 69.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.19 -178.157 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 603' ' ' PHE . . . . . . . . . . . . . 20.6 m-30 -86.95 -33.35 19.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.163 179.751 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 604' ' ' VAL . . . . . . . . . . . . . 76.9 t -60.24 -47.01 93.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.204 176.368 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 605' ' ' THR . . . . . . . . . . . . . 76.5 p -70.97 -19.92 62.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.212 -179.196 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 606' ' ' SER . . . . . . . . . . . . . 58.3 m -79.43 -37.89 36.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.203 175.461 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 90.9 mmm -64.86 -20.18 66.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.22 179.15 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 608' ' ' LEU . . . . . . . . . . . . . 90.2 mt -57.26 -27.18 61.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.213 176.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 609' ' ' THR . . . . . . . . . . . . . 82.0 p -95.46 7.18 46.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.187 -179.301 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 610' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -121.75 -24.22 5.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.213 178.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 611' ' ' LEU . . . . . . . . . . . . . 83.5 mt -77.92 153.16 32.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.201 178.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 612' ' ' ARG . . . . . 0.432 ' HG2' ' HB3' ' A' ' 580' ' ' GLU . 80.8 mtp180 -124.86 167.91 13.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.195 -178.527 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 613' ' ' PHE . . . . . . . . . . . . . 47.9 p90 -134.45 159.86 39.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.233 174.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -140.0 133.74 30.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.203 -177.038 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 615' ' ' VAL . . . . . 0.424 HG22 ' HE ' ' A' ' 680' ' ' ARG . 98.3 t -97.07 143.9 11.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.172 176.841 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 616' ' ' PHE . . . . . 0.644 ' HB2' ' SG ' ' A' ' 679' ' ' CYS . 97.7 m-85 -136.58 150.03 48.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.184 -176.736 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 617' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 -112.48 163.42 17.86 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.18 -177.215 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 618' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_exo -53.12 123.18 12.59 Favored 'Trans proline' 0 N--CA 1.458 -0.59 0 C-N-CA 121.703 1.602 . . . . 0.0 111.188 178.351 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 619' ' ' GLY . . . . . . . . . . . . . . . 94.97 -12.16 68.78 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 176.031 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 620' ' ' ASP . . . . . . . . . . . . . 64.5 t0 -73.69 123.43 24.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.819 0.342 . . . . 0.0 111.161 -178.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 621' ' ' TYR . . . . . . . . . . . . . 63.8 m-85 -73.55 143.25 46.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.155 179.169 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 622' ' ' ILE . . . . . . . . . . . . . 58.9 mt -114.76 -46.3 4.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.192 -178.082 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 623' ' ' ILE . . . . . . . . . . . . . 70.5 mt -131.81 137.6 54.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.259 -179.525 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -111.76 125.45 54.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.233 175.731 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 625' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -62.06 135.84 57.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.213 178.064 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 626' ' ' GLY . . . . . . . . . . . . . . . 98.69 -18.17 57.29 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 176.004 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 627' ' ' THR . . . . . . . . . . . . . 44.2 p -90.63 165.47 13.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.826 0.346 . . . . 0.0 111.178 -178.209 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 628' ' ' ILE . . . . . . . . . . . . . 47.6 mm -95.72 110.45 24.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.197 -178.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 629' ' ' GLY . . . . . . . . . . . . . . . -135.38 136.41 8.48 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 176.244 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 630' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -119.39 38.66 3.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.775 0.322 . . . . 0.0 111.168 -175.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 631' ' ' LYS . . . . . 0.476 ' O ' ' NH2' ' A' ' 669' ' ' ARG . 99.4 mttt -125.68 127.96 47.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.186 -179.396 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 632' ' ' MET . . . . . . . . . . . . . 64.2 ttp -101.18 128.98 47.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.191 169.098 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 633' ' ' TYR . . . . . . . . . . . . . 78.8 m-85 -105.38 128.03 53.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.168 -172.739 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 634' ' ' PHE . . . . . . . . . . . . . 85.5 t80 -100.56 130.76 46.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.21 172.575 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 635' ' ' ILE . . . . . . . . . . . . . 68.7 mt -85.33 110.91 20.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.236 -174.108 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 -79.15 -39.89 32.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.209 176.349 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 637' ' ' HIS . . . . . . . . . . . . . 32.7 p80 -168.41 151.69 5.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.177 175.748 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 638' ' ' GLY . . . . . . . . . . . . . . . 104.06 175.65 25.51 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 -177.656 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 639' ' ' VAL . . . . . . . . . . . . . 92.7 t -122.68 133.25 69.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.79 0.328 . . . . 0.0 111.231 -174.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 640' ' ' VAL . . . . . . . . . . . . . 33.1 m -124.55 158.88 31.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.256 175.047 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 641' ' ' SER . . . . . . . . . . . . . 33.8 t -113.65 124.98 53.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.169 177.707 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 642' ' ' VAL . . . . . . . . . . . . . 81.5 t -112.71 119.69 61.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.186 -177.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 643' ' ' LEU . . . . . . . . . . . . . 66.6 tp -112.73 110.92 21.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.18 178.173 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 644' ' ' THR . . . . . . . . . . . . . 18.4 p -105.3 164.81 11.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.148 -172.746 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -52.22 157.18 1.45 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.177 167.366 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 646' ' ' GLY . . . . . . . . . . . . . . . 84.97 5.41 86.14 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 -171.151 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 647' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 59.91 50.02 7.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.766 0.317 . . . . 0.0 111.187 -179.242 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 648' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -115.74 115.62 26.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.2 -176.041 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 649' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -111.74 115.63 29.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.233 -177.082 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 650' ' ' THR . . . . . . . . . . . . . 72.6 p -130.0 166.05 20.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.19 179.335 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 651' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -122.48 144.24 49.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.205 176.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 85.9 mt -126.2 151.71 47.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.23 -178.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -140.31 -171.93 3.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.221 -176.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 654' ' ' ASP . . . . . . . . . . . . . 67.6 t0 -42.23 122.37 2.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.181 -179.445 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 655' ' ' GLY . . . . . . . . . . . . . . . 108.03 -16.55 35.94 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 173.61 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 656' ' ' SER . . . . . . . . . . . . . 70.5 m -97.2 174.36 6.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.783 0.325 . . . . 0.0 111.222 178.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 657' ' ' TYR . . . . . . . . . . . . . 51.9 p90 -151.52 165.04 35.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.232 178.547 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 658' ' ' PHE . . . . . . . . . . . . . 53.7 p90 -154.44 170.0 22.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.235 -178.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 659' ' ' GLY . . . . . 0.437 ' O ' ' SG ' ' A' ' 662' ' ' CYS . . . 88.98 14.27 61.01 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 -179.501 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 660' ' ' GLU . . . . . . . . . . . . . 24.8 pm0 -69.42 -10.1 56.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.782 0.325 . . . . 0.0 111.173 -179.269 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 661' ' ' ILE . . . . . . . . . . . . . 11.2 tp -58.96 -23.25 23.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.212 174.595 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 662' ' ' CYS . . . . . 0.437 ' SG ' ' O ' ' A' ' 659' ' ' GLY . 28.2 p -65.1 -19.98 66.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.174 178.212 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 663' ' ' LEU . . . . . . . . . . . . . 70.5 mt -93.02 -7.17 46.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.241 179.113 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 81.1 mt -109.94 -29.19 8.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.206 -174.719 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 665' ' ' THR . . . . . . . . . . . . . 34.7 p -115.39 -179.76 3.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.196 -179.339 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 666' ' ' ARG . . . . . . . . . . . . . 16.5 ptm180 -69.04 -10.18 56.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.223 175.231 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 139.19 -15.25 3.25 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 -177.095 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 63.7 ttm-85 -60.1 119.97 8.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.793 0.33 . . . . 0.0 111.234 177.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 669' ' ' ARG . . . . . 0.476 ' NH2' ' O ' ' A' ' 631' ' ' LYS . 23.4 mmt180 -79.99 127.49 32.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.171 179.642 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 670' ' ' THR . . . . . . . . . . . . . 76.3 p -101.3 22.71 12.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.201 179.511 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 671' ' ' ALA . . . . . . . . . . . . . . . -156.55 151.39 26.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.138 -178.505 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 672' ' ' SER . . . . . . . . . . . . . 57.9 m -110.92 132.2 54.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.203 170.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 673' ' ' VAL . . . . . . . . . . . . . 59.5 t -125.88 131.15 72.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.194 -173.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 674' ' ' ARG . . . . . . . . . . . . . 59.7 ttp180 -134.57 138.04 44.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.253 177.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 675' ' ' ALA . . . . . . . . . . . . . . . -70.12 132.91 46.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.236 -178.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 676' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -92.85 -38.33 11.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.235 178.667 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 44.6 p -130.19 165.67 21.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.188 175.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 678' ' ' TYR . . . . . . . . . . . . . 79.3 t80 -55.51 118.28 4.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.171 174.531 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 679' ' ' CYS . . . . . 0.644 ' SG ' ' HB2' ' A' ' 616' ' ' PHE . 31.5 p -142.37 164.71 29.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.192 -167.429 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 680' ' ' ARG . . . . . 0.424 ' HE ' HG22 ' A' ' 615' ' ' VAL . 41.7 ttm180 -132.51 130.15 40.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.211 175.335 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 681' ' ' LEU . . . . . . . . . . . . . 62.5 mt -117.22 149.94 39.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.241 -175.574 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 682' ' ' TYR . . . . . . . . . . . . . 15.3 m-30 -100.07 128.84 46.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.187 171.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 683' ' ' SER . . . . . . . . . . . . . 35.2 t -94.56 111.03 22.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.217 -172.079 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 684' ' ' LEU . . . . . . . . . . . . . 60.2 tp -116.04 102.04 9.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.2 174.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 83.2 p -86.53 164.21 17.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.192 -172.395 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 686' ' ' VAL . . . . . . . . . . . . . 75.2 t -61.53 -34.55 62.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.176 173.213 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 687' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -61.32 -40.05 92.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.194 173.513 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 688' ' ' ASN . . . . . . . . . . . . . 97.1 m-20 -69.47 -35.56 75.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.187 178.157 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 689' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -55.11 -51.59 65.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.201 168.664 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 690' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -59.59 -39.97 85.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.213 178.03 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 691' ' ' GLU . . . . . . . . . . . . . 53.5 tp10 -63.35 -60.06 3.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.234 -174.761 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 692' ' ' VAL . . . . . . . . . . . . . 9.5 p -62.58 -31.44 52.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.174 -175.037 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 693' ' ' LEU . . . . . . . . . . . . . 94.9 mt -78.97 -33.07 45.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.2 179.725 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 694' ' ' GLU . . . . . 0.508 ' HA ' ' HE ' ' A' ' 700' ' ' ARG . 88.8 tt0 -70.0 -33.82 72.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.179 177.405 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 695' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -56.81 -39.39 74.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.255 178.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 696' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -108.1 106.53 58.78 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.191 175.181 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 697' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -54.01 -31.72 65.31 Favored 'Trans proline' 0 N--CA 1.458 -0.599 0 C-N-CA 121.734 1.622 . . . . 0.0 111.192 -174.736 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 698' ' ' MET . . . . . . . . . . . . . 99.7 mmm -66.88 -29.62 69.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.243 -178.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 699' ' ' MET . . . . . . . . . . . . . 98.9 mmm -100.14 -14.4 18.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.196 -178.765 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 700' ' ' ARG . . . . . 0.508 ' HE ' ' HA ' ' A' ' 694' ' ' GLU . 40.4 ttm180 -50.98 -39.73 56.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.214 178.001 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -60.44 -28.53 68.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.165 -177.529 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 702' ' ' ALA . . . . . . . . . . . . . . . -60.73 -29.43 69.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.192 -175.44 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 703' ' ' PHE . . . . . . . . . . . . . 57.1 t80 -65.14 -19.21 65.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.196 -176.288 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 704' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -58.55 -26.52 63.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.232 178.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 705' ' ' THR . . . . . . . . . . . . . 72.9 p -82.87 -9.67 59.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.191 -178.616 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 706' ' ' VAL . . . . . . . . . . . . . 87.4 t -84.69 118.69 32.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.212 178.23 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 707' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.2 -1.535 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.191 179.133 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 577' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.788 0.327 . . . . 0.0 111.218 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 578' ' ' SER . . . . . . . . . . . . . 30.9 t -60.0 139.94 57.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.194 -178.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -105.1 20.79 18.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.209 179.659 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 580' ' ' GLU . . . . . . . . . . . . . 91.9 mt-10 56.89 54.62 6.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.185 179.624 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 581' ' ' ILE . . . . . . . . . . . . . 41.8 pt -110.12 39.99 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.14 -176.439 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 94.8 mt -82.86 134.68 26.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.218 -175.465 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 583' ' ' ASN . . . . . . . . . . . . . 33.3 t30 79.61 20.17 0.65 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.182 175.275 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 584' ' ' PHE . . . . . . . . . . . . . 22.3 m-30 -106.35 29.92 6.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.189 178.713 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 585' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 57.94 40.9 25.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.205 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 586' ' ' CYS . . . . . . . . . . . . . 71.2 m -91.21 -39.95 11.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.234 179.54 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 587' ' ' ARG . . . . . . . . . . . . . 42.8 ttm180 -59.84 -36.09 76.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.179 176.452 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 588' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -56.79 -47.97 78.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.207 173.701 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 95.9 mt -62.62 -41.95 99.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.189 -178.338 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 590' ' ' VAL . . . . . . . . . . . . . 53.8 t -62.81 -50.09 81.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.209 177.307 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 591' ' ' ALA . . . . . . . . . . . . . . . -64.89 -33.81 76.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.249 -176.2 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 60.1 p -67.9 -21.71 65.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.238 -176.652 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 593' ' ' MET . . . . . . . . . . . . . 11.9 tpt -60.15 118.09 29.9 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.214 -178.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_exo -55.64 -41.92 72.84 Favored 'Trans proline' 0 N--CA 1.458 -0.568 0 C-N-CA 121.69 1.593 . . . . 0.0 111.17 -175.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 595' ' ' LEU . . . . . . . . . . . . . 95.6 mt -74.23 -20.44 60.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.243 -172.617 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 596' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -129.96 24.94 5.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.217 -177.063 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 597' ' ' ALA . . . . . . . . . . . . . . . -66.25 -25.51 66.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.206 177.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 598' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -110.02 20.06 18.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.16 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 599' ' ' ALA . . . . . . . . . . . . . . . -66.51 149.83 49.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.172 178.654 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 600' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -62.01 150.08 84.35 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.215 179.604 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 601' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_exo -51.37 -35.8 55.56 Favored 'Trans proline' 0 N--CA 1.457 -0.625 0 C-N-CA 121.71 1.606 . . . . 0.0 111.245 175.555 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 602' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -66.1 -44.81 83.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.188 177.456 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 603' ' ' PHE . . . . . . . . . . . . . 11.3 m-30 -55.48 -47.71 75.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.183 175.034 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 604' ' ' VAL . . . . . . . . . . . . . 65.8 t -55.45 -51.76 53.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.21 179.646 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 605' ' ' THR . . . . . . . . . . . . . 96.4 m -56.09 -48.73 75.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.218 178.078 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 606' ' ' SER . . . . . . . . . . . . . 73.9 m -56.85 -43.13 80.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.162 -178.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 607' ' ' MET . . . . . . . . . . . . . 98.0 mtp -60.89 -47.01 88.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.16 175.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 608' ' ' LEU . . . . . . . . . . . . . 93.0 mt -58.15 -34.36 70.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.224 -177.573 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 609' ' ' THR . . . . . . . . . . . . . 71.0 p -85.0 -4.8 59.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.229 -178.21 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 610' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -110.16 -12.72 14.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.215 178.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 611' ' ' LEU . . . . . 0.454 HD23 ' HB2' ' A' ' 684' ' ' LEU . 60.0 mt -58.75 141.81 51.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.175 175.482 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 612' ' ' ARG . . . . . . . . . . . . . 52.9 ttt85 -116.07 120.02 37.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.229 175.142 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 613' ' ' PHE . . . . . . . . . . . . . 49.9 t80 -79.45 120.03 23.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.221 -177.441 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -133.51 132.07 40.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.21 177.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 615' ' ' VAL . . . . . . . . . . . . . 99.3 t -101.6 139.9 21.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.209 178.371 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 616' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -127.81 140.05 52.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.219 -178.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 617' ' ' GLN . . . . . . . . . . . . . 62.3 mt-30 -99.97 160.8 26.23 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.202 179.016 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 618' ' ' PRO . . . . . . . . . . . . . 80.4 Cg_exo -50.02 125.81 15.56 Favored 'Trans proline' 0 N--CA 1.458 -0.615 0 C-N-CA 121.688 1.592 . . . . 0.0 111.211 176.368 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 619' ' ' GLY . . . . . . . . . . . . . . . 100.4 -19.12 54.01 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 176.62 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 620' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -69.59 139.5 53.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.745 0.307 . . . . 0.0 111.201 -178.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 621' ' ' TYR . . . . . . . . . . . . . 57.3 m-85 -98.92 140.08 33.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.225 177.366 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 622' ' ' ILE . . . . . . . . . . . . . 4.2 mp -93.54 -39.98 11.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.195 172.664 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 623' ' ' ILE . . . . . . . . . . . . . 19.5 tt -151.59 149.47 13.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.192 172.7 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 96.8 mtt-85 -112.63 154.52 25.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.213 -179.458 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 625' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -59.92 119.61 8.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.172 177.727 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 626' ' ' GLY . . . . . . . . . . . . . . . 100.33 -5.96 57.61 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 -179.676 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 627' ' ' THR . . . . . . . . . . . . . 91.6 m -85.2 138.86 32.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.809 0.338 . . . . 0.0 111.2 177.182 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 628' ' ' ILE . . . . . 0.405 ' HA ' ' HA ' ' A' ' 668' ' ' ARG . 97.3 mt -72.28 119.73 19.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.215 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 629' ' ' GLY . . . . . . . . . . . . . . . -111.23 156.86 15.31 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 177.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 630' ' ' LYS . . . . . 0.428 ' HB2' ' HD2' ' A' ' 666' ' ' ARG . 63.7 pttt -161.75 20.26 0.11 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.789 0.328 . . . . 0.0 111.235 179.156 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 631' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -135.05 154.79 51.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.19 -177.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 632' ' ' MET . . . . . . . . . . . . . 60.2 mtp -108.07 140.19 41.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.196 172.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 633' ' ' TYR . . . . . . . . . . . . . 77.2 m-85 -117.58 121.93 42.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.196 -177.437 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 634' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -103.43 131.05 50.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.196 176.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 635' ' ' ILE . . . . . . . . . . . . . 77.3 mt -92.74 105.06 16.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.222 -173.717 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 25.1 tm0? -75.35 -30.12 60.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.2 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 637' ' ' HIS . . . . . . . . . . . . . 81.9 t60 -170.06 140.11 1.93 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.245 179.218 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 638' ' ' GLY . . . . . . . . . . . . . . . 113.49 174.4 18.89 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 177.03 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 639' ' ' VAL . . . . . . . . . . . . . 95.2 t -113.08 132.0 63.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.775 0.321 . . . . 0.0 111.151 -177.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 640' ' ' VAL . . . . . . . . . . . . . 96.6 t -131.99 134.24 60.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.194 179.472 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 641' ' ' SER . . . . . . . . . . . . . 58.8 m -97.3 131.4 44.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.185 179.57 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 642' ' ' VAL . . . . . . . . . . . . . 89.0 t -116.0 106.13 19.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.218 176.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 643' ' ' LEU . . . . . . . . . . . . . 68.4 tp -98.22 112.27 24.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.183 -179.192 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 644' ' ' THR . . . . . . . . . . . . . 97.9 m -98.12 138.12 35.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.244 -177.706 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 89.0 tttt -55.55 119.82 6.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.193 -176.082 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 646' ' ' GLY . . . . . . . . . . . . . . . 74.93 15.11 81.14 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 173.397 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 647' ' ' ASN . . . . . . . . . . . . . 65.6 m-80 -135.09 159.93 39.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.847 0.356 . . . . 0.0 111.171 -177.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 648' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -65.46 137.83 57.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.161 179.479 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 649' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -64.69 132.48 49.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.203 178.365 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 650' ' ' THR . . . . . . . . . . . . . 99.7 m -101.34 129.2 47.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.15 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 651' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -93.72 119.96 33.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.18 178.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 77.4 mt -112.13 149.66 31.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.196 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -138.57 -168.49 2.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.161 -175.46 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 654' ' ' ASP . . . . . . . . . . . . . 63.1 t0 -53.85 118.06 3.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.235 177.151 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 655' ' ' GLY . . . . . . . . . . . . . . . 104.17 -4.8 45.01 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 179.045 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 656' ' ' SER . . . . . . . . . . . . . 50.3 m -93.27 174.26 7.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.823 0.344 . . . . 0.0 111.196 178.422 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 657' ' ' TYR . . . . . . . . . . . . . 37.5 p90 -155.63 166.88 32.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.214 177.352 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 658' ' ' PHE . . . . . . . . . . . . . 51.8 p90 -155.1 175.1 14.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.19 176.506 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 659' ' ' GLY . . . . . 0.509 ' O ' ' HB2' ' A' ' 662' ' ' CYS . . . 93.5 4.17 64.24 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 111.244 -0.743 . . . . 0.0 111.244 -179.033 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 660' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -57.64 -32.14 66.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.804 0.335 . . . . 0.0 111.233 179.686 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 661' ' ' ILE . . . . . . . . . . . . . 11.0 tp -59.91 -27.31 38.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.195 178.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 662' ' ' CYS . . . . . 0.509 ' HB2' ' O ' ' A' ' 659' ' ' GLY . 99.8 m -75.24 -37.11 61.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.184 178.763 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 663' ' ' LEU . . . . . . . . . . . . . 55.0 tp -62.52 -39.76 94.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.174 173.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 66.3 tp -60.84 -58.76 7.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.195 173.221 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 665' ' ' THR . . . . . . . . . . . . . 86.4 m -146.95 119.55 8.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.202 176.671 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 666' ' ' ARG . . . . . 0.517 ' HD3' ' HB ' ' A' ' 686' ' ' VAL . 91.3 mtm180 -72.75 154.72 40.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.217 179.372 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 133.97 -163.96 24.48 Favored Glycine 0 CA--C 1.523 0.546 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 179.425 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 668' ' ' ARG . . . . . 0.405 ' HA ' ' HA ' ' A' ' 628' ' ' ILE . 88.8 mtm180 -63.74 121.58 14.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.801 0.334 . . . . 0.0 111.146 -176.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 78.2 ttt180 -94.2 130.68 40.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.214 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 670' ' ' THR . . . . . . . . . . . . . 33.6 p -87.69 57.54 4.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.244 -179.537 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 671' ' ' ALA . . . . . . . . . . . . . . . -161.42 149.62 15.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.155 -178.354 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 672' ' ' SER . . . . . . . . . . . . . 71.3 m -117.91 131.32 56.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.213 175.721 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 673' ' ' VAL . . . . . . . . . . . . . 67.1 t -119.86 123.07 70.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.187 -175.645 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 674' ' ' ARG . . . . . . . . . . . . . 60.9 ttp180 -130.94 131.36 44.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.205 -174.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 675' ' ' ALA . . . . . 0.427 ' HB1' ' SG ' ' A' ' 679' ' ' CYS . . . -72.71 142.87 48.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.224 177.402 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 676' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -106.31 -33.96 7.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.181 -178.742 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 31.7 p -124.96 -177.19 3.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.221 179.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 678' ' ' TYR . . . . . . . . . . . . . 81.2 t80 -59.95 99.99 0.08 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.176 169.433 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 679' ' ' CYS . . . . . 0.427 ' SG ' ' HB1' ' A' ' 675' ' ' ALA . 82.7 m -107.66 137.34 45.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.144 -169.26 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 680' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -115.27 107.26 15.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.228 173.401 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 681' ' ' LEU . . . . . . . . . . . . . 8.1 mp -111.45 150.22 30.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.173 -173.562 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 682' ' ' TYR . . . . . . . . . . . . . 87.5 m-85 -117.89 119.06 33.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.206 171.071 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 683' ' ' SER . . . . . . . . . . . . . 40.5 t -94.26 140.12 30.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.184 -176.638 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 684' ' ' LEU . . . . . 0.454 ' HB2' HD23 ' A' ' 611' ' ' LEU . 39.7 tp -139.49 120.7 14.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.229 173.551 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 59.7 p -73.73 155.4 38.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.196 -172.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 686' ' ' VAL . . . . . 0.517 ' HB ' ' HD3' ' A' ' 666' ' ' ARG . 66.9 t -60.51 -36.76 71.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.218 174.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 687' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -56.77 -43.94 81.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.209 173.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 688' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -66.63 -40.06 88.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.188 178.53 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 689' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -54.92 -43.93 73.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.245 174.044 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 690' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -64.46 -44.58 90.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.164 178.419 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 691' ' ' GLU . . . . . . . . . . . . . 64.4 mt-10 -56.91 -41.63 78.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.193 179.487 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 692' ' ' VAL . . . . . . . . . . . . . 69.0 t -70.19 -54.93 16.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.182 -179.632 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 693' ' ' LEU . . . . . . . . . . . . . 43.7 tp -63.73 -35.37 80.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.197 -172.36 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 694' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -85.86 -6.68 59.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.193 -177.266 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 695' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -56.74 -41.84 78.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.178 179.519 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 696' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -110.01 107.54 58.87 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.174 173.522 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 697' ' ' PRO . . . . . . . . . . . . . 79.3 Cg_exo -54.88 -34.84 87.22 Favored 'Trans proline' 0 N--CA 1.459 -0.549 0 C-N-CA 121.71 1.607 . . . . 0.0 111.174 -174.291 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 698' ' ' MET . . . . . . . . . . . . . 99.9 mmm -63.07 -29.63 70.96 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.15 -178.155 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 699' ' ' MET . . . . . . . . . . . . . 97.8 mmm -100.05 -2.67 33.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.188 -179.437 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 700' ' ' ARG . . . . . . . . . . . . . 78.6 ttt-85 -64.97 -30.59 71.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.19 -179.329 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 16.4 ptm180 -60.26 -20.39 58.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.179 -179.602 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 702' ' ' ALA . . . . . . . . . . . . . . . -62.97 -20.87 65.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.19 178.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 703' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -54.24 -27.65 36.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.216 177.635 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 704' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -60.0 -31.5 69.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.214 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 705' ' ' THR . . . . . . . . . . . . . 81.4 p -99.99 -29.91 12.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.221 -178.721 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 706' ' ' VAL . . . . . 0.492 ' O ' ' O ' ' A' ' 707' ' ' ALA . 76.7 t -67.88 132.7 32.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.233 177.179 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 707' ' ' ALA . . . . . 0.492 ' O ' ' O ' ' A' ' 706' ' ' VAL . . . . . . . . 0 C--O 1.2 -1.539 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.213 178.596 . . . . . . . . 1 1 . 1 stop_ save_