data_1va2_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 1va2 _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 566' ' ' PRO . . . . . 0.417 ' HD2' ' CE2' ' A' ' 567' ' ' PHE . 93.6 Cg_endo . . . . . 0 N--CA 1.464 -0.259 0 N-CA-C 112.834 0.282 . . . . 0.0 112.834 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 567' ' ' PHE . . . . . 0.417 ' CE2' ' HD2' ' A' ' 566' ' ' PRO . 12.5 m-85 -129.41 91.21 3.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.68 179.8 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 568' ' ' MET . . . . . . . . . . . . . 3.9 mtt -129.34 133.24 47.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.168 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 569' ' ' CYS . . . . . . . . . . . . . 7.4 p -66.81 146.13 54.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.111 179.478 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 77.6 p -73.13 -28.02 62.02 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.641 -179.182 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 571' ' ' TRP . . . . . 0.422 ' CE3' ' HD3' ' A' ' 588' ' ' LYS . 2.8 m-90 -56.39 103.83 0.12 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.818 0.342 . . . . 0.0 110.941 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 48.9 m -60.35 -46.27 90.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.905 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 573' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -59.29 -27.74 66.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 574' ' ' CYS . . . . . 0.443 ' HB2' ' CE1' ' A' ' 591' ' ' HIS . 49.5 t -59.07 -50.21 74.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.993 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . 53.71 59.85 9.16 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.406 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 576' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -155.44 126.66 7.17 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-O 120.873 0.368 . . . . 0.0 110.96 -179.826 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.51 163.57 15.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.739 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 578' ' ' PHE . . . . . 0.421 ' CD1' HD23 ' A' ' 584' ' ' LEU . 25.3 m-85 -134.27 163.76 28.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.17 -179.677 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 579' ' ' THR . . . . . . . . . . . . . 14.1 m -111.62 -15.65 13.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.303 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 580' ' ' ARG . . . . . . . . . . . . . 17.1 mmt180 -127.57 137.15 52.51 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.872 0.368 . . . . 0.0 110.789 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 581' ' ' SER . . . . . . . . . . . . . 94.2 p -62.97 -38.88 92.88 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.65 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -55.81 -36.84 67.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.456 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 583' ' ' GLU . . . . . 0.528 ' O ' ' HB3' ' A' ' 587' ' ' HIS . 3.0 tp10 -55.35 -55.42 31.75 Favored 'General case' 0 CA--C 1.511 -0.525 0 CA-C-O 120.884 0.373 . . . . 0.0 111.029 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 584' ' ' LEU . . . . . 0.493 ' O ' ' HB2' ' A' ' 588' ' ' LYS . 1.3 mt -56.39 -36.92 69.43 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.54 -179.446 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 585' ' ' GLN . . . . . . . . . . . . . 26.2 mm-40 -59.4 -56.36 23.01 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.06 0.457 . . . . 0.0 109.969 179.441 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 586' ' ' ARG . . . . . 0.477 ' HG3' ' N ' ' A' ' 587' ' ' HIS . 9.9 ptm180 -72.68 -42.21 64.53 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.658 -0.701 . . . . 0.0 112.46 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 587' ' ' HIS . . . . . 0.528 ' HB3' ' O ' ' A' ' 583' ' ' GLU . 0.1 OUTLIER -64.47 -50.39 67.67 Favored 'General case' 0 CA--C 1.522 -0.127 0 N-CA-C 109.735 -0.468 . . . . 0.0 109.735 -179.425 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 588' ' ' LYS . . . . . 0.493 ' HB2' ' O ' ' A' ' 584' ' ' LEU . 7.4 mttp -62.57 -28.41 69.86 Favored 'General case' 0 N--CA 1.454 -0.267 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 178.145 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 589' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.22 -27.48 2.47 Favored 'General case' 0 C--O 1.231 0.119 0 CA-C-N 115.295 -0.866 . . . . 0.0 111.348 179.764 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 590' ' ' THR . . . . . . . . . . . . . 9.8 t -127.34 23.87 6.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.494 -179.582 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 591' ' ' HIS . . . . . 0.443 ' CE1' ' HB2' ' A' ' 574' ' ' CYS . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.32 0 CA-C-O 120.779 0.323 . . . . 0.0 110.741 179.817 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 566' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo . . . . . 0 C--O 1.231 0.164 0 CA-C-O 120.906 0.294 . . . . 0.0 112.442 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 567' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -129.24 111.07 12.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.63 179.682 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 568' ' ' MET . . . . . . . . . . . . . 2.2 ttp -132.91 126.93 33.21 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.069 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 569' ' ' CYS . . . . . . . . . . . . . 8.5 p -62.26 146.52 50.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.254 179.598 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 36.7 p -73.09 -20.46 60.95 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.727 -179.257 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 571' ' ' TRP . . . . . 0.445 ' CE2' ' HB3' ' A' ' 591' ' ' HIS . 1.2 m-90 -56.48 152.24 11.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.792 0.33 . . . . 0.0 110.936 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -101.52 -32.51 10.35 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.612 -179.347 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 573' ' ' TYR . . . . . . . . . . . . . 50.6 p90 -94.82 26.67 3.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.727 0.299 . . . . 0.0 111.419 -179.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 574' ' ' CYS . . . . . 0.424 ' HB2' ' CE1' ' A' ' 591' ' ' HIS . 53.9 t -101.65 -50.23 3.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.839 0.352 . . . . 0.0 110.63 179.637 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . 51.96 52.63 34.13 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.966 -0.635 . . . . 0.0 112.781 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 576' ' ' LYS . . . . . . . . . . . . . 2.2 mtpp -145.98 129.66 17.08 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-O 120.84 0.352 . . . . 0.0 111.058 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 5.5 mtt85 -89.52 163.46 15.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.532 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 578' ' ' PHE . . . . . 0.455 ' CD1' ' CD2' ' A' ' 584' ' ' LEU . 49.8 m-85 -135.54 163.7 29.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.982 0.42 . . . . 0.0 111.303 -179.575 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 579' ' ' THR . . . . . . . . . . . . . 29.7 m -113.62 -15.55 12.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.154 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 580' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -129.23 137.08 50.89 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.779 0.323 . . . . 0.0 110.73 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 581' ' ' SER . . . . . 0.447 ' O ' ' NE2' ' A' ' 585' ' ' GLN . 0.0 OUTLIER -62.95 -43.95 97.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.8 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 582' ' ' ASP . . . . . 0.418 ' HA ' ' NE2' ' A' ' 585' ' ' GLN . 0.4 OUTLIER -52.63 -35.63 55.06 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.215 -179.804 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 583' ' ' GLU . . . . . 0.483 ' O ' ' HB3' ' A' ' 587' ' ' HIS . 3.1 tp10 -55.33 -55.33 32.78 Favored 'General case' 0 CA--C 1.511 -0.529 0 CA-C-O 120.904 0.383 . . . . 0.0 110.956 179.81 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 584' ' ' LEU . . . . . 0.497 ' O ' ' HB2' ' A' ' 588' ' ' LYS . 13.0 mt -55.68 -39.36 70.89 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.481 -179.391 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 585' ' ' GLN . . . . . 0.447 ' NE2' ' O ' ' A' ' 581' ' ' SER . 0.0 OUTLIER -56.59 -55.64 31.37 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.18 0.514 . . . . 0.0 109.844 179.562 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 586' ' ' ARG . . . . . 0.415 ' HA ' ' HB2' ' A' ' 589' ' ' ARG . 13.3 mtt180 -72.57 -45.83 57.32 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.543 -0.753 . . . . 0.0 112.223 179.77 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 587' ' ' HIS . . . . . 0.483 ' HB3' ' O ' ' A' ' 583' ' ' GLU . 0.1 OUTLIER -60.73 -50.53 73.1 Favored 'General case' 0 CA--C 1.521 -0.171 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 -179.506 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 588' ' ' LYS . . . . . 0.497 ' HB2' ' O ' ' A' ' 584' ' ' LEU . 4.1 mttp -60.73 -28.46 68.69 Favored 'General case' 0 N--CA 1.452 -0.325 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 178.007 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 589' ' ' ARG . . . . . 0.415 ' HB2' ' HA ' ' A' ' 586' ' ' ARG . 0.3 OUTLIER -55.22 -31.51 61.54 Favored 'General case' 0 N--CA 1.457 -0.118 0 CA-C-N 115.294 -0.866 . . . . 0.0 111.035 179.552 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 590' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -111.42 9.22 21.43 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.474 -179.789 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 591' ' ' HIS . . . . . 0.47 ' HB2' ' HA ' ' A' ' 588' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.256 0 CA-C-O 120.792 0.33 . . . . 0.0 110.927 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 566' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo . . . . . 0 C--O 1.231 0.173 0 CA-C-O 120.874 0.281 . . . . 0.0 112.551 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 567' ' ' PHE . . . . . 0.419 ' CE2' ' HB2' ' A' ' 581' ' ' SER . 8.1 m-85 -123.39 90.91 3.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.458 179.666 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 568' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -82.28 123.11 28.76 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.466 -179.448 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 569' ' ' CYS . . . . . 0.422 ' HA ' ' CD2' ' A' ' 584' ' ' LEU . 11.9 p -64.59 152.09 42.98 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 178.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 32.7 p -73.02 -18.6 61.32 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 111.814 0.301 . . . . 0.0 111.814 -178.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 571' ' ' TRP . . . . . 0.436 ' CZ3' ' HB2' ' A' ' 588' ' ' LYS . 2.7 m-90 -63.86 98.02 0.18 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.855 0.359 . . . . 0.0 110.658 179.568 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -53.99 -46.86 71.85 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.249 -179.768 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 573' ' ' TYR . . . . . . . . . . . . . 36.6 m-85 -55.7 -22.92 25.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.109 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 574' ' ' CYS . . . . . 0.437 ' HB2' ' CE1' ' A' ' 591' ' ' HIS . 37.1 t -79.3 -50.22 11.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.041 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . 52.41 27.57 25.7 Favored Glycine 0 C--N 1.331 0.284 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.524 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 576' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -102.92 160.19 14.83 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-O 120.891 0.377 . . . . 0.0 111.186 -179.638 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 3.0 mtm180 -114.24 163.49 15.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.542 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 578' ' ' PHE . . . . . 0.418 ' CG ' HD11 ' A' ' 584' ' ' LEU . 82.0 m-85 -141.58 163.69 32.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.977 0.418 . . . . 0.0 111.384 -179.745 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 579' ' ' THR . . . . . . . . . . . . . 6.5 m -106.29 -11.45 16.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.15 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 580' ' ' ARG . . . . . . . . . . . . . 21.5 mmt85 -137.82 145.53 42.39 Favored 'General case' 0 N--CA 1.456 -0.152 0 CA-C-O 120.903 0.382 . . . . 0.0 110.923 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 581' ' ' SER . . . . . 0.426 ' O ' ' NE2' ' A' ' 585' ' ' GLN . 0.8 OUTLIER -68.49 -43.09 77.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.759 179.921 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 582' ' ' ASP . . . . . 0.421 ' HA ' ' NE2' ' A' ' 585' ' ' GLN . 0.8 OUTLIER -52.71 -34.86 54.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.149 -179.852 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 583' ' ' GLU . . . . . 0.517 ' O ' ' HB3' ' A' ' 587' ' ' HIS . 4.1 tp10 -55.76 -55.26 34.43 Favored 'General case' 0 CA--C 1.511 -0.533 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.822 179.68 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 584' ' ' LEU . . . . . 0.452 ' O ' ' CG ' ' A' ' 588' ' ' LYS . 7.4 mp -54.87 -39.46 68.69 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.358 -179.514 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 585' ' ' GLN . . . . . 0.426 ' NE2' ' O ' ' A' ' 581' ' ' SER . 0.0 OUTLIER -57.69 -56.24 24.46 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.195 0.522 . . . . 0.0 110.091 179.553 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 586' ' ' ARG . . . . . 0.41 ' HA ' ' HB2' ' A' ' 589' ' ' ARG . 2.0 mtm180 -72.57 -42.61 64.45 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.486 -0.779 . . . . 0.0 112.272 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 587' ' ' HIS . . . . . 0.517 ' HB3' ' O ' ' A' ' 583' ' ' GLU . 0.1 OUTLIER -64.23 -49.24 72.71 Favored 'General case' 0 CA--C 1.521 -0.17 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 -179.575 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 588' ' ' LYS . . . . . 0.452 ' CG ' ' O ' ' A' ' 584' ' ' LEU . 0.0 OUTLIER -62.23 -29.82 70.66 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 178.088 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 589' ' ' ARG . . . . . 0.436 ' N ' ' HG3' ' A' ' 588' ' ' LYS . 0.1 OUTLIER -49.14 -29.86 5.93 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-N 114.781 -1.099 . . . . 0.0 111.165 179.571 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 590' ' ' THR . . . . . . . . . . . . . 5.3 t -125.86 36.42 4.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.822 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 591' ' ' HIS . . . . . 0.437 ' CE1' ' HB2' ' A' ' 574' ' ' CYS . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.899 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 566' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo . . . . . 0 N--CA 1.463 -0.278 0 N-CA-C 112.899 0.307 . . . . 0.0 112.899 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 567' ' ' PHE . . . . . . . . . . . . . 45.2 m-85 -129.4 102.92 6.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.686 179.667 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 568' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -134.45 119.11 18.13 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.149 -179.873 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 569' ' ' CYS . . . . . . . . . . . . . 4.1 p -60.44 137.14 58.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.1 179.514 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 72.8 p -72.96 -13.06 61.17 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 111.877 0.325 . . . . 0.0 111.877 -178.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 571' ' ' TRP . . . . . 0.425 ' CE2' ' HB3' ' A' ' 591' ' ' HIS . 4.9 m-90 -65.06 101.89 0.57 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.818 0.342 . . . . 0.0 110.848 179.819 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -57.38 -46.87 82.94 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.047 -179.821 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 573' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -55.95 -23.49 32.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.974 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 574' ' ' CYS . . . . . 0.458 ' HB2' ' CE1' ' A' ' 591' ' ' HIS . 35.6 t -74.26 -50.27 19.72 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.048 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . 52.45 57.08 14.64 Favored Glycine 0 C--N 1.33 0.238 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.477 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 576' ' ' LYS . . . . . . . . . . . . . 15.0 mttp -145.4 147.79 32.64 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-O 120.865 0.364 . . . . 0.0 111.077 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 29.6 mtt180 -102.21 163.49 12.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.603 179.706 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 578' ' ' PHE . . . . . 0.402 ' CD1' HD23 ' A' ' 584' ' ' LEU . 27.6 m-85 -138.88 160.22 40.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.928 0.394 . . . . 0.0 111.285 -179.719 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 579' ' ' THR . . . . . . . . . . . . . 60.4 m -116.55 -7.89 11.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.154 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 580' ' ' ARG . . . . . 0.465 ' HD2' ' N ' ' A' ' 580' ' ' ARG . 2.9 mpt_? -128.77 136.96 51.26 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-O 120.73 0.3 . . . . 0.0 110.69 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 581' ' ' SER . . . . . 0.444 ' O ' ' NE2' ' A' ' 585' ' ' GLN . 10.0 t -64.86 -47.56 77.46 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.749 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -52.7 -33.29 47.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.255 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 583' ' ' GLU . . . . . 0.632 ' O ' ' HB3' ' A' ' 587' ' ' HIS . 3.4 tt0 -55.04 -55.51 30.11 Favored 'General case' 0 CA--C 1.512 -0.503 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.197 -179.821 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 584' ' ' LEU . . . . . 0.45 ' O ' ' HB2' ' A' ' 588' ' ' LYS . 1.7 mt -59.93 -35.13 74.25 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.636 -179.061 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 585' ' ' GLN . . . . . 0.444 ' NE2' ' O ' ' A' ' 581' ' ' SER . 0.1 OUTLIER -61.37 -56.52 19.41 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.519 -0.472 . . . . 0.0 109.953 179.724 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 586' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.84 -41.04 65.22 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.694 -0.685 . . . . 0.0 112.41 179.755 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 587' ' ' HIS . . . . . 0.632 ' HB3' ' O ' ' A' ' 583' ' ' GLU . 0.2 OUTLIER -65.25 -48.21 74.04 Favored 'General case' 0 C--O 1.231 0.114 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 -179.596 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 588' ' ' LYS . . . . . 0.45 ' HB2' ' O ' ' A' ' 584' ' ' LEU . 78.3 mttt -61.44 -28.67 69.43 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 108.933 -0.765 . . . . 0.0 108.933 178.104 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 589' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -49.23 -27.59 3.84 Favored 'General case' 0 N--CA 1.458 -0.074 0 CA-C-N 115.309 -0.86 . . . . 0.0 111.286 179.791 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 590' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -103.23 -17.98 15.1 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.26 -179.825 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 591' ' ' HIS . . . . . 0.458 ' CE1' ' HB2' ' A' ' 574' ' ' CYS . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.948 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 566' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo . . . . . 0 N--CA 1.463 -0.316 0 CA-C-O 120.746 0.227 . . . . 0.0 112.597 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 567' ' ' PHE . . . . . 0.426 ' CE1' ' HB3' ' A' ' 581' ' ' SER . 23.7 m-85 -129.41 100.51 5.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.743 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 568' ' ' MET . . . . . . . . . . . . . 25.4 ttt -147.36 95.78 2.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.491 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 569' ' ' CYS . . . . . 0.41 ' SG ' ' CE3' ' A' ' 571' ' ' TRP . 27.5 t -77.17 81.2 3.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.176 179.381 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 24.0 p -73.28 -23.31 60.29 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.669 -179.392 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 571' ' ' TRP . . . . . 0.484 ' CZ3' ' HE2' ' A' ' 588' ' ' LYS . 0.3 OUTLIER 39.45 -162.74 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 120.754 0.312 . . . . 0.0 111.691 -179.848 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 75.5 m -73.05 -24.32 60.68 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.823 0.344 . . . . 0.0 110.628 179.529 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 573' ' ' TYR . . . . . . . . . . . . . 49.9 p90 -172.84 38.35 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.994 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 574' ' ' CYS . . . . . . . . . . . . . 33.9 t -78.49 -50.16 12.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.835 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . 56.4 79.93 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.441 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 576' ' ' LYS . . . . . . . . . . . . . 7.9 mttm -168.46 143.63 3.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.854 0.359 . . . . 0.0 110.814 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 2.6 mtt85 -109.13 159.19 17.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.89 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 578' ' ' PHE . . . . . 0.437 ' CD1' HD22 ' A' ' 584' ' ' LEU . 9.8 m-85 -136.61 163.66 30.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.159 -179.727 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 579' ' ' THR . . . . . . . . . . . . . 7.4 m -118.31 -8.38 10.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.267 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 580' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -131.21 137.09 48.78 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.811 0.339 . . . . 0.0 110.781 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 581' ' ' SER . . . . . 0.426 ' HB3' ' CE1' ' A' ' 567' ' ' PHE . 12.6 p -62.73 -41.63 99.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.813 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -54.04 -36.37 62.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.309 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 583' ' ' GLU . . . . . 0.58 ' O ' ' HB3' ' A' ' 587' ' ' HIS . 4.8 tt0 -55.24 -55.08 35.36 Favored 'General case' 0 CA--C 1.513 -0.46 0 CA-C-O 120.847 0.356 . . . . 0.0 111.071 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 584' ' ' LEU . . . . . 0.477 ' O ' ' HB2' ' A' ' 588' ' ' LYS . 5.3 mt -57.97 -35.3 70.98 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.717 -179.31 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 585' ' ' GLN . . . . . . . . . . . . . 26.1 mm-40 -62.18 -56.76 15.56 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 120.404 -0.518 . . . . 0.0 110.009 179.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 586' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.04 -39.44 65.93 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.909 0.707 . . . . 0.0 112.909 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 587' ' ' HIS . . . . . 0.58 ' HB3' ' O ' ' A' ' 583' ' ' GLU . 0.6 OUTLIER -67.75 -49.84 60.41 Favored 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 -179.389 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 588' ' ' LYS . . . . . 0.484 ' HE2' ' CZ3' ' A' ' 571' ' ' TRP . 93.9 mttt -60.74 -28.44 68.69 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 108.731 -0.841 . . . . 0.0 108.731 177.787 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 589' ' ' ARG . . . . . . . . . . . . . 2.9 tpt180 -50.28 -30.11 11.14 Favored 'General case' 0 C--O 1.231 0.081 0 CA-C-N 115.173 -0.921 . . . . 0.0 111.201 179.551 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 590' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -97.5 -21.25 17.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.267 -179.624 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 591' ' ' HIS . . . . . 0.451 ' NE2' ' CE1' ' A' ' 587' ' ' HIS . 1.0 OUTLIER . . . . . 0 C--N 1.327 -0.406 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.883 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 566' ' ' PRO . . . . . 0.419 ' HD2' ' CE2' ' A' ' 567' ' ' PHE . 84.2 Cg_endo . . . . . 0 N--CA 1.464 -0.256 0 CA-C-O 120.721 0.217 . . . . 0.0 112.633 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 567' ' ' PHE . . . . . 0.419 ' CE2' ' HD2' ' A' ' 566' ' ' PRO . 18.8 m-85 -129.27 110.22 11.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.875 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 568' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -147.21 123.85 11.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.031 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 569' ' ' CYS . . . . . 0.458 ' N ' ' CD2' ' A' ' 584' ' ' LEU . 7.7 p -58.91 149.2 27.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.328 179.769 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 52.8 p -91.77 21.04 5.06 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 111.791 0.293 . . . . 0.0 111.791 -179.358 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 571' ' ' TRP . . . . . 0.451 ' CH2' ' HB2' ' A' ' 588' ' ' LYS . 4.7 m-90 -89.11 108.21 19.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.796 0.331 . . . . 0.0 110.807 179.644 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 31.5 t -54.13 -46.9 72.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.136 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 573' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -60.07 -24.45 64.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.887 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 574' ' ' CYS . . . . . 0.449 ' HB2' ' CE1' ' A' ' 591' ' ' HIS . 8.6 t -84.51 -50.4 7.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.997 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . 47.72 27.47 4.65 Favored Glycine 0 C--N 1.331 0.286 0 C-N-CA 120.919 -0.657 . . . . 0.0 112.936 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 576' ' ' LYS . . . . . . . . . . . . . 38.3 mttm -100.37 -179.87 4.24 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-O 120.933 0.397 . . . . 0.0 111.24 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 53.5 mtt180 -136.83 163.48 30.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.654 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 578' ' ' PHE . . . . . 0.446 ' CZ ' ' HG2' ' A' ' 583' ' ' GLU . 3.4 m-85 -144.6 164.07 32.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.024 0.44 . . . . 0.0 111.358 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 579' ' ' THR . . . . . . . . . . . . . 32.5 m -107.96 -6.83 16.41 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.258 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 580' ' ' ARG . . . . . . . . . . . . . 5.1 mmm180 -133.12 137.11 46.18 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.907 0.384 . . . . 0.0 110.987 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 581' ' ' SER . . . . . 0.41 ' HA ' ' CD1' ' A' ' 584' ' ' LEU . 5.5 p -62.74 -37.02 84.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.831 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -58.23 -34.92 70.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.419 -179.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 583' ' ' GLU . . . . . 0.604 ' O ' ' HB3' ' A' ' 587' ' ' HIS . 3.5 tt0 -55.18 -55.42 31.43 Favored 'General case' 0 CA--C 1.51 -0.588 0 CA-C-O 120.848 0.356 . . . . 0.0 110.95 -179.861 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 584' ' ' LEU . . . . . 0.496 ' O ' ' HG2' ' A' ' 588' ' ' LYS . 0.3 OUTLIER -57.01 -38.28 72.89 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.684 -179.154 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 585' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 -59.64 -56.4 22.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.13 0.49 . . . . 0.0 110.244 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 586' ' ' ARG . . . . . 0.418 ' O ' ' HB2' ' A' ' 589' ' ' ARG . 4.0 ptt180 -72.73 -41.02 65.64 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.678 -0.692 . . . . 0.0 112.467 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 587' ' ' HIS . . . . . 0.604 ' HB3' ' O ' ' A' ' 583' ' ' GLU . 0.2 OUTLIER -64.8 -42.29 95.15 Favored 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 109.419 -0.585 . . . . 0.0 109.419 -179.522 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 588' ' ' LYS . . . . . 0.496 ' HG2' ' O ' ' A' ' 584' ' ' LEU . 10.6 ptpt -63.97 -32.86 74.54 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 178.205 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 589' ' ' ARG . . . . . 0.423 ' N ' ' HG3' ' A' ' 588' ' ' LYS . 0.0 OUTLIER -48.4 -27.55 2.68 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-N 114.776 -1.102 . . . . 0.0 111.091 179.735 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 590' ' ' THR . . . . . . . . . . . . . 3.8 t -123.05 37.37 4.43 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.816 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 591' ' ' HIS . . . . . 0.449 ' CE1' ' HB2' ' A' ' 574' ' ' CYS . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.835 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 566' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_endo . . . . . 0 N--CA 1.463 -0.315 0 CA-C-O 120.775 0.239 . . . . 0.0 112.635 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 567' ' ' PHE . . . . . 0.432 ' HB3' ' CD2' ' A' ' 584' ' ' LEU . 24.6 m-85 -129.4 110.19 11.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.802 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 568' ' ' MET . . . . . . . . . . . . . 7.0 ptt? -147.5 97.31 2.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.733 0.301 . . . . 0.0 111.468 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 569' ' ' CYS . . . . . 0.416 ' SG ' ' CE3' ' A' ' 571' ' ' TRP . 15.0 t -71.69 80.97 0.85 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.882 0.372 . . . . 0.0 110.136 179.341 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 70.2 p -73.27 -23.05 60.26 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.595 -179.504 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 571' ' ' TRP . . . . . 0.506 ' CZ2' ' HB2' ' A' ' 588' ' ' LYS . 0.2 OUTLIER 40.94 -163.15 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 120.788 0.328 . . . . 0.0 111.44 -179.842 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 1.7 m -71.8 -24.32 61.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.811 0.338 . . . . 0.0 110.7 179.509 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 573' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -172.33 38.78 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.896 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 574' ' ' CYS . . . . . 0.41 ' CB ' ' HB2' ' A' ' 571' ' ' TRP . 26.5 t -80.46 -50.09 10.54 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.908 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . 56.28 76.27 0.21 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.284 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 576' ' ' LYS . . . . . . . . . . . . . 7.7 tttm -164.93 147.35 8.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.777 0.323 . . . . 0.0 110.906 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 3.5 mtt180 -108.77 163.51 13.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.93 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 578' ' ' PHE . . . . . . . . . . . . . 45.8 m-85 -142.27 163.64 32.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.959 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 579' ' ' THR . . . . . . . . . . . . . 30.8 m -112.15 -9.08 13.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.378 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 580' ' ' ARG . . . . . . . . . . . . . 23.8 mmt85 -131.12 137.08 48.9 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.96 0.409 . . . . 0.0 111.01 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 581' ' ' SER . . . . . 0.418 ' O ' ' HG2' ' A' ' 585' ' ' GLN . 15.7 p -67.73 -22.44 65.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.083 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 582' ' ' ASP . . . . . 0.401 ' HA ' ' HG2' ' A' ' 585' ' ' GLN . 1.5 m-20 -75.24 -33.46 61.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.345 -179.62 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 583' ' ' GLU . . . . . 0.507 ' O ' ' HB3' ' A' ' 587' ' ' HIS . 2.5 tt0 -55.05 -55.59 29.26 Favored 'General case' 0 CA--C 1.51 -0.58 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.202 -179.618 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 584' ' ' LEU . . . . . 0.467 ' O ' ' HB3' ' A' ' 588' ' ' LYS . 0.0 OUTLIER -55.31 -33.17 63.07 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.217 -179.618 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 585' ' ' GLN . . . . . 0.436 ' O ' ' HG3' ' A' ' 588' ' ' LYS . 16.7 mm-40 -61.63 -56.9 14.81 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.49 -0.484 . . . . 0.0 110.026 179.384 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 586' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.41 -40.3 64.39 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.128 -0.487 . . . . 0.0 112.252 179.784 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 587' ' ' HIS . . . . . 0.507 ' HB3' ' O ' ' A' ' 583' ' ' GLU . 0.2 OUTLIER -64.64 -45.49 86.58 Favored 'General case' 0 C--N 1.332 -0.167 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 -179.608 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 588' ' ' LYS . . . . . 0.506 ' HB2' ' CZ2' ' A' ' 571' ' ' TRP . 0.0 OUTLIER -61.51 -31.16 71.15 Favored 'General case' 0 N--CA 1.455 -0.2 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 177.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 589' ' ' ARG . . . . . 0.467 ' N ' ' HG3' ' A' ' 588' ' ' LYS . 0.0 OUTLIER -51.29 -30.68 18.81 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 114.711 -1.132 . . . . 0.0 111.0 179.611 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 590' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -112.69 30.65 6.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.81 -179.838 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 591' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.03 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 566' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo . . . . . 0 C--O 1.231 0.159 0 CA-C-O 120.836 0.265 . . . . 0.0 112.58 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 567' ' ' PHE . . . . . 0.401 ' CE1' ' OG ' ' A' ' 581' ' ' SER . 52.4 m-85 -125.9 121.51 33.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.885 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 568' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -147.2 140.18 25.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.911 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 569' ' ' CYS . . . . . 0.422 ' CA ' HD21 ' A' ' 584' ' ' LEU . 1.8 p -56.83 -170.45 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.518 179.75 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 66.6 p -129.81 0.02 4.83 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.223 0.453 . . . . 0.0 112.223 -179.478 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 571' ' ' TRP . . . . . 0.44 ' CZ2' ' HB3' ' A' ' 591' ' ' HIS . 0.8 OUTLIER -51.08 177.82 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.812 0.339 . . . . 0.0 111.219 -179.951 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -83.49 -46.95 11.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.606 -179.386 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 573' ' ' TYR . . . . . . . . . . . . . 18.0 t80 -135.21 70.45 1.44 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.898 0.38 . . . . 0.0 111.287 -179.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 574' ' ' CYS . . . . . . . . . . . . . 41.8 t -101.74 -50.32 3.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 179.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . 53.92 57.34 16.71 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.853 -0.689 . . . . 0.0 112.554 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 576' ' ' LYS . . . . . . . . . . . . . 66.9 tttt -152.34 107.65 3.28 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-O 120.826 0.346 . . . . 0.0 111.064 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 577' ' ' ARG . . . . . 0.409 ' O ' ' CD1' ' A' ' 578' ' ' PHE . 6.6 mtt-85 -92.41 158.63 15.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.738 179.823 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 578' ' ' PHE . . . . . 0.537 ' CD2' ' HB3' ' A' ' 583' ' ' GLU . 22.9 m-85 -135.75 164.1 28.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.029 0.443 . . . . 0.0 111.24 -179.86 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 579' ' ' THR . . . . . . . . . . . . . 16.5 m -97.4 -7.49 31.65 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.385 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 580' ' ' ARG . . . . . 0.423 ' HD2' ' N ' ' A' ' 580' ' ' ARG . 3.9 mpt_? -132.51 137.07 47.04 Favored 'General case' 0 N--CA 1.456 -0.143 0 CA-C-O 120.807 0.336 . . . . 0.0 111.03 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 581' ' ' SER . . . . . 0.401 ' OG ' ' CE1' ' A' ' 567' ' ' PHE . 0.5 OUTLIER -62.71 -33.81 75.88 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.454 179.683 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -56.29 -37.77 70.31 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.125 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 583' ' ' GLU . . . . . 0.537 ' HB3' ' CD2' ' A' ' 578' ' ' PHE . 4.6 tp10 -55.35 -55.63 29.39 Favored 'General case' 0 CA--C 1.508 -0.642 0 CA-C-O 121.028 0.442 . . . . 0.0 110.766 179.741 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 584' ' ' LEU . . . . . 0.449 HD23 ' CD2' ' A' ' 578' ' ' PHE . 83.2 mt -55.07 -34.9 64.0 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.774 -179.241 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 585' ' ' GLN . . . . . . . . . . . . . 25.6 mm-40 -63.12 -56.61 15.32 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.472 -0.491 . . . . 0.0 110.028 179.591 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 586' ' ' ARG . . . . . 0.499 ' O ' ' HB2' ' A' ' 589' ' ' ARG . 0.0 OUTLIER -72.83 -39.62 66.45 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.635 -0.711 . . . . 0.0 112.421 -179.929 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 587' ' ' HIS . . . . . 0.518 ' HB3' ' O ' ' A' ' 583' ' ' GLU . 0.0 OUTLIER -64.17 -36.89 85.54 Favored 'General case' 0 CA--C 1.518 -0.264 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 -179.813 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 588' ' ' LYS . . . . . 0.434 ' HB2' ' O ' ' A' ' 584' ' ' LEU . 29.4 mttt -68.49 -29.49 68.11 Favored 'General case' 0 N--CA 1.448 -0.538 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 177.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 589' ' ' ARG . . . . . 0.499 ' HB2' ' O ' ' A' ' 586' ' ' ARG . 18.6 mmt85 -65.08 -27.91 69.09 Favored 'General case' 0 N--CA 1.456 -0.138 0 CA-C-N 115.375 -0.83 . . . . 0.0 110.861 179.809 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 590' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -105.2 -5.27 20.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.249 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 591' ' ' HIS . . . . . 0.44 ' HB3' ' CZ2' ' A' ' 571' ' ' TRP . 0.2 OUTLIER . . . . . 0 C--N 1.332 -0.156 0 CA-C-O 120.779 0.323 . . . . 0.0 110.978 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 566' ' ' PRO . . . . . 0.428 ' HD2' ' CE2' ' A' ' 567' ' ' PHE . 84.5 Cg_endo . . . . . 0 N--CA 1.464 -0.245 0 N-CA-C 112.789 0.265 . . . . 0.0 112.789 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 567' ' ' PHE . . . . . 0.428 ' CE2' ' HD2' ' A' ' 566' ' ' PRO . 17.6 m-85 -129.46 90.88 3.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.676 179.687 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 568' ' ' MET . . . . . . . . . . . . . 5.9 ptt? -136.34 130.57 33.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.005 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 569' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -58.23 128.46 37.23 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.173 179.721 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 22.3 p -92.56 23.38 4.06 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 112.304 0.483 . . . . 0.0 112.304 -178.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 571' ' ' TRP . . . . . 0.48 ' CZ2' ' HB2' ' A' ' 588' ' ' LYS . 0.8 OUTLIER -52.45 176.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.809 0.337 . . . . 0.0 110.999 179.839 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 55.1 p -57.19 -46.88 82.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.031 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 573' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -167.42 83.51 0.22 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.81 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 574' ' ' CYS . . . . . . . . . . . . . 52.6 t -101.53 -50.23 3.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.916 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . 71.66 55.14 7.69 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.47 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 576' ' ' LYS . . . . . . . . . . . . . 4.7 mtmt -152.67 113.97 4.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.815 0.34 . . . . 0.0 110.883 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 577' ' ' ARG . . . . . 0.414 ' O ' ' CD1' ' A' ' 578' ' ' PHE . 29.5 mtt180 -89.54 159.21 17.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.854 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 578' ' ' PHE . . . . . 0.517 ' CD2' ' HB3' ' A' ' 583' ' ' GLU . 9.4 m-85 -141.73 164.04 31.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.147 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 579' ' ' THR . . . . . . . . . . . . . 60.0 m -104.07 -7.52 20.19 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.891 -179.462 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 580' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.68 146.13 32.08 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.947 0.403 . . . . 0.0 111.346 -179.652 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 581' ' ' SER . . . . . . . . . . . . . 3.6 m -62.49 -32.84 73.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.456 179.639 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.54 -38.5 63.86 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.894 179.774 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 583' ' ' GLU . . . . . 0.517 ' HB3' ' CD2' ' A' ' 578' ' ' PHE . 2.9 tp10 -55.3 -55.15 34.79 Favored 'General case' 0 CA--C 1.51 -0.593 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.647 179.488 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 584' ' ' LEU . . . . . 0.47 ' O ' ' HB3' ' A' ' 588' ' ' LYS . 6.0 mp -54.23 -37.0 64.12 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.426 -179.697 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 585' ' ' GLN . . . . . 0.407 ' O ' ' HG2' ' A' ' 588' ' ' LYS . 26.1 mm-40 -61.08 -56.38 21.59 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.182 0.515 . . . . 0.0 110.343 179.664 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 586' ' ' ARG . . . . . . . . . . . . . 1.2 mtm180 -72.83 -38.28 67.18 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.722 -0.672 . . . . 0.0 112.322 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 587' ' ' HIS . . . . . 0.496 ' HB3' ' O ' ' A' ' 583' ' ' GLU . 0.2 OUTLIER -67.83 -51.86 43.61 Favored 'General case' 0 N--CA 1.455 -0.214 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 -179.652 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 588' ' ' LYS . . . . . 0.48 ' HB2' ' CZ2' ' A' ' 571' ' ' TRP . 41.3 pttt -56.65 -29.98 62.84 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 178.265 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 589' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.97 -29.73 1.54 Allowed 'General case' 0 C--O 1.231 0.098 0 CA-C-N 114.853 -1.067 . . . . 0.0 110.858 179.523 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 590' ' ' THR . . . . . . . . . . . . . 8.7 t -124.32 42.07 3.34 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.667 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 591' ' ' HIS . . . . . 0.434 ' HB2' ' HA ' ' A' ' 588' ' ' LYS . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.124 -179.836 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 566' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo . . . . . 0 C--O 1.231 0.145 0 CA-C-O 120.863 0.276 . . . . 0.0 112.424 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 567' ' ' PHE . . . . . . . . . . . . . 77.2 m-85 -122.75 100.3 6.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.678 179.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 568' ' ' MET . . . . . . . . . . . . . 4.5 ttt -114.53 135.4 54.16 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.086 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 569' ' ' CYS . . . . . 0.413 ' HA ' ' CD2' ' A' ' 584' ' ' LEU . 11.4 p -59.27 140.82 55.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.151 179.605 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 35.4 p -73.47 -5.44 40.03 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.955 0.724 . . . . 0.0 112.955 -178.328 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 571' ' ' TRP . . . . . 0.506 ' CD1' ' CE1' ' A' ' 591' ' ' HIS . 0.6 OUTLIER -49.25 172.69 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 120.776 0.322 . . . . 0.0 111.204 -179.689 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -91.57 -47.06 7.61 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 112.057 0.391 . . . . 0.0 112.057 -178.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 573' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -132.71 66.4 1.56 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.811 0.338 . . . . 0.0 111.599 -179.366 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 574' ' ' CYS . . . . . . . . . . . . . 43.4 t -101.86 -50.36 3.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.663 179.457 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . 65.94 51.54 44.83 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.897 -0.668 . . . . 0.0 112.689 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 576' ' ' LYS . . . . . . . . . . . . . 10.9 mtpp -147.05 122.1 10.09 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-O 120.824 0.345 . . . . 0.0 111.035 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 11.6 mtt180 -89.49 163.55 15.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.738 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 578' ' ' PHE . . . . . 0.41 ' CE1' ' HB3' ' A' ' 569' ' ' CYS . 37.5 m-85 -139.65 163.76 31.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.969 0.414 . . . . 0.0 111.401 -179.386 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 579' ' ' THR . . . . . . . . . . . . . 28.6 m -113.68 -8.89 13.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.322 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 580' ' ' ARG . . . . . . . . . . . . . 57.6 mmm-85 -140.39 152.4 45.72 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.853 0.359 . . . . 0.0 110.894 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 581' ' ' SER . . . . . 0.417 ' HA ' ' CD1' ' A' ' 584' ' ' LEU . 2.7 p -72.59 -22.6 60.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.32 -179.849 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.12 -35.84 74.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.578 -179.456 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 583' ' ' GLU . . . . . 0.496 ' O ' ' HB3' ' A' ' 587' ' ' HIS . 4.7 tt0 -55.09 -54.96 36.52 Favored 'General case' 0 CA--C 1.511 -0.555 0 CA-C-O 120.806 0.336 . . . . 0.0 111.128 -179.766 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 584' ' ' LEU . . . . . 0.446 ' O ' ' HB3' ' A' ' 588' ' ' LYS . 1.1 mp -54.2 -32.93 57.0 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.272 -179.419 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 585' ' ' GLN . . . . . 0.405 ' O ' ' HG3' ' A' ' 588' ' ' LYS . 20.0 mm-40 -64.02 -56.64 13.6 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.471 -0.492 . . . . 0.0 109.91 179.176 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 586' ' ' ARG . . . . . 0.416 ' HG2' ' O ' ' A' ' 583' ' ' GLU . 0.6 OUTLIER -73.02 -40.52 65.09 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.88 -0.6 . . . . 0.0 112.392 179.777 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 587' ' ' HIS . . . . . 0.496 ' HB3' ' O ' ' A' ' 583' ' ' GLU . 0.1 OUTLIER -62.73 -49.33 75.47 Favored 'General case' 0 CA--C 1.52 -0.194 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 -179.685 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 588' ' ' LYS . . . . . 0.45 ' HG3' ' N ' ' A' ' 589' ' ' ARG . 0.0 OUTLIER -58.63 -30.36 67.22 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 178.203 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 589' ' ' ARG . . . . . 0.45 ' N ' ' HG3' ' A' ' 588' ' ' LYS . 0.0 OUTLIER -55.44 -33.53 63.67 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 114.779 -1.1 . . . . 0.0 110.593 179.239 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 590' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -113.86 24.27 12.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.855 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 591' ' ' HIS . . . . . 0.506 ' CE1' ' CD1' ' A' ' 571' ' ' TRP . 0.9 OUTLIER . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.925 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 566' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo . . . . . 0 N--CA 1.463 -0.284 0 CA-C-O 120.735 0.223 . . . . 0.0 112.661 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 567' ' ' PHE . . . . . . . . . . . . . 34.0 m-85 -129.37 105.08 7.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.747 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 568' ' ' MET . . . . . . . . . . . . . 2.8 ptt? -143.08 125.04 15.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.138 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 569' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -57.05 128.55 37.52 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.001 179.628 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 25.2 p -90.28 17.45 7.15 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 112.703 0.631 . . . . 0.0 112.703 -178.336 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 571' ' ' TRP . . . . . 0.493 ' CZ2' ' HB2' ' A' ' 588' ' ' LYS . 0.8 OUTLIER -48.31 171.57 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.898 0.38 . . . . 0.0 111.426 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 11.2 m -54.73 -46.97 74.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.515 -179.556 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 573' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -164.38 82.01 0.4 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.93 0.395 . . . . 0.0 111.108 -179.795 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 574' ' ' CYS . . . . . . . . . . . . . 40.8 t -101.69 -50.21 3.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.649 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . 69.14 52.18 24.35 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.672 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 576' ' ' LYS . . . . . . . . . . . . . 4.3 mttt -149.77 122.36 8.57 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-O 120.824 0.345 . . . . 0.0 110.904 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -89.49 163.52 15.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.731 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 578' ' ' PHE . . . . . 0.421 ' CG ' HD13 ' A' ' 584' ' ' LEU . 51.4 m-85 -137.68 163.66 30.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.025 0.44 . . . . 0.0 111.428 -179.478 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 579' ' ' THR . . . . . . . . . . . . . 77.5 m -110.39 -14.34 14.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.064 179.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 580' ' ' ARG . . . . . . . . . . . . . 5.5 mtt180 -140.98 137.13 32.81 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.841 0.353 . . . . 0.0 110.658 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 581' ' ' SER . . . . . 0.477 ' O ' ' NE2' ' A' ' 585' ' ' GLN . 62.7 p -57.26 -36.95 71.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.026 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 582' ' ' ASP . . . . . 0.433 ' HA ' ' NE2' ' A' ' 585' ' ' GLN . 0.5 OUTLIER -52.57 -35.73 54.54 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.177 -179.742 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 583' ' ' GLU . . . . . 0.471 ' O ' ' HB3' ' A' ' 587' ' ' HIS . 2.8 tp10 -57.94 -55.16 38.56 Favored 'General case' 0 CA--C 1.51 -0.595 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.773 179.546 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 584' ' ' LEU . . . . . 0.45 ' O ' ' HB3' ' A' ' 588' ' ' LYS . 7.2 mp -54.27 -34.23 60.37 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.146 -179.708 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 585' ' ' GLN . . . . . 0.477 ' NE2' ' O ' ' A' ' 581' ' ' SER . 0.0 OUTLIER -61.47 -56.78 16.4 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.569 -0.452 . . . . 0.0 110.046 179.297 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 586' ' ' ARG . . . . . 0.489 ' HG3' ' N ' ' A' ' 587' ' ' HIS . 0.6 OUTLIER -73.12 -41.11 64.37 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.902 -0.59 . . . . 0.0 112.362 179.699 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 587' ' ' HIS . . . . . 0.489 ' N ' ' HG3' ' A' ' 586' ' ' ARG . 0.2 OUTLIER -63.59 -51.63 64.5 Favored 'General case' 0 CA--C 1.519 -0.222 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 -179.553 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 588' ' ' LYS . . . . . 0.493 ' HB2' ' CZ2' ' A' ' 571' ' ' TRP . 0.0 OUTLIER -58.1 -30.77 66.53 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 178.272 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 589' ' ' ARG . . . . . 0.41 ' N ' ' HG3' ' A' ' 588' ' ' LYS . 0.0 OUTLIER -51.68 -30.43 21.92 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 114.876 -1.056 . . . . 0.0 110.751 179.369 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 590' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -113.91 26.38 10.38 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.848 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 591' ' ' HIS . . . . . 0.443 ' HB2' ' HA ' ' A' ' 588' ' ' LYS . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 566' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_endo . . . . . 0 N--CA 1.464 -0.249 0 N-CA-C 113.004 0.348 . . . . 0.0 113.004 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 567' ' ' PHE . . . . . 0.401 ' CD1' ' HB3' ' A' ' 581' ' ' SER . 11.8 m-85 -129.58 103.69 7.02 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.393 179.443 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 568' ' ' MET . . . . . 0.408 ' HB3' ' O ' ' A' ' 576' ' ' LYS . 25.3 mtt -147.27 109.15 4.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.741 0.305 . . . . 0.0 111.611 -179.457 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 569' ' ' CYS . . . . . . . . . . . . . 17.5 t -68.88 110.23 4.29 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.244 179.331 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 6.6 p -86.16 -30.98 22.04 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.185 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 571' ' ' TRP . . . . . 0.447 ' CZ3' ' HE2' ' A' ' 588' ' ' LYS . 0.2 OUTLIER 39.94 -163.79 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.647 -179.941 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 35.8 p -63.15 -30.81 71.89 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.861 0.362 . . . . 0.0 110.678 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 573' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -171.64 35.04 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 574' ' ' CYS . . . . . . . . . . . . . 43.2 t -75.0 -50.32 16.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.636 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . 54.09 20.46 14.77 Favored Glycine 0 CA--C 1.519 0.293 0 C-N-CA 121.085 -0.578 . . . . 0.0 113.514 179.342 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 576' ' ' LYS . . . . . 0.408 ' O ' ' HB3' ' A' ' 568' ' ' MET . 12.3 mttt -80.63 -176.65 5.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 117.013 0.407 . . . . 0.0 110.655 179.785 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 73.3 mtt85 -153.42 155.08 35.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.716 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 578' ' ' PHE . . . . . 0.455 ' CD1' ' HG2' ' A' ' 583' ' ' GLU . 5.2 m-85 -148.99 163.8 36.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.99 0.424 . . . . 0.0 111.097 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 579' ' ' THR . . . . . . . . . . . . . 22.4 m -97.44 -8.09 30.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.503 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 580' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -140.58 137.08 33.44 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.872 0.368 . . . . 0.0 110.91 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 581' ' ' SER . . . . . 0.491 ' O ' ' NE2' ' A' ' 585' ' ' GLN . 0.3 OUTLIER -59.59 -35.45 74.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.816 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 582' ' ' ASP . . . . . 0.44 ' HA ' ' NE2' ' A' ' 585' ' ' GLN . 5.6 m-20 -52.48 -37.05 56.28 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.051 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 583' ' ' GLU . . . . . 0.518 ' O ' ' HB3' ' A' ' 587' ' ' HIS . 7.9 tp10 -57.36 -55.74 30.81 Favored 'General case' 0 CA--C 1.508 -0.64 0 CA-C-O 121.128 0.489 . . . . 0.0 110.573 179.35 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 584' ' ' LEU . . . . . 0.474 ' O ' ' HB2' ' A' ' 588' ' ' LYS . 6.4 mp -55.3 -36.47 66.22 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.603 -179.442 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 585' ' ' GLN . . . . . 0.491 ' NE2' ' O ' ' A' ' 581' ' ' SER . 0.0 OUTLIER -60.3 -56.79 17.16 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.549 -0.46 . . . . 0.0 110.136 179.867 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 586' ' ' ARG . . . . . 0.528 ' O ' ' HB2' ' A' ' 589' ' ' ARG . 30.9 mtp180 -72.87 -40.07 65.93 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.72 -0.673 . . . . 0.0 112.192 179.819 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 587' ' ' HIS . . . . . 0.518 ' HB3' ' O ' ' A' ' 583' ' ' GLU . 0.1 OUTLIER -65.57 -37.53 86.93 Favored 'General case' 0 N--CA 1.455 -0.221 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 -179.766 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 588' ' ' LYS . . . . . 0.474 ' HB2' ' O ' ' A' ' 584' ' ' LEU . 47.5 mttt -70.09 -30.36 67.56 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 108.52 -0.919 . . . . 0.0 108.52 177.384 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 589' ' ' ARG . . . . . 0.528 ' HB2' ' O ' ' A' ' 586' ' ' ARG . 15.9 mmt180 -60.86 -28.27 68.73 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 115.138 -0.937 . . . . 0.0 111.1 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 590' ' ' THR . . . . . . . . . . . . . 10.9 t -99.36 -17.23 18.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.084 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 591' ' ' HIS . . . . . 0.446 ' NE2' ' CE1' ' A' ' 587' ' ' HIS . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.241 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.019 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 566' ' ' PRO . . . . . 0.409 ' HD2' ' CE2' ' A' ' 567' ' ' PHE . 97.4 Cg_endo . . . . . 0 N--CA 1.463 -0.305 0 N-CA-C 112.802 0.27 . . . . 0.0 112.802 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 567' ' ' PHE . . . . . 0.409 ' CE2' ' HD2' ' A' ' 566' ' ' PRO . 11.4 m-85 -129.34 96.21 4.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.825 0.345 . . . . 0.0 110.797 179.854 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 568' ' ' MET . . . . . . . . . . . . . 9.0 mtp -147.13 119.64 8.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.96 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 569' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -61.54 123.91 19.18 Favored 'General case' 0 CA--C 1.531 0.245 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 179.625 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 10.9 p -94.46 37.02 1.13 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.817 -178.743 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 571' ' ' TRP . . . . . 0.438 ' CZ2' ' HB2' ' A' ' 588' ' ' LYS . 1.2 m-90 -63.54 168.59 4.55 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.821 0.343 . . . . 0.0 111.008 179.854 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -51.03 -47.02 61.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.542 -179.388 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 573' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -162.47 75.39 0.43 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.919 0.39 . . . . 0.0 110.981 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 574' ' ' CYS . . . . . . . . . . . . . 44.5 t -101.18 -48.18 4.49 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.642 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . 63.28 59.17 9.3 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.619 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 576' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -152.07 121.79 6.97 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-O 120.861 0.362 . . . . 0.0 110.851 179.766 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 3.3 mtt180 -89.55 163.55 15.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.777 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 578' ' ' PHE . . . . . . . . . . . . . 47.0 m-85 -141.34 163.73 32.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.376 -179.536 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 579' ' ' THR . . . . . . . . . . . . . 16.8 m -113.35 -12.4 13.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.087 179.774 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 580' ' ' ARG . . . . . . . . . . . . . 9.6 mmm180 -139.25 137.17 35.69 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.796 0.331 . . . . 0.0 110.723 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 581' ' ' SER . . . . . . . . . . . . . 18.5 p -58.76 -31.66 68.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.022 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.2 -38.93 74.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.228 -179.798 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 583' ' ' GLU . . . . . 0.523 ' O ' ' HB3' ' A' ' 587' ' ' HIS . 6.0 tp10 -55.32 -54.22 46.32 Favored 'General case' 0 CA--C 1.509 -0.622 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.904 179.797 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 584' ' ' LEU . . . . . 0.487 ' O ' ' HG2' ' A' ' 588' ' ' LYS . 6.8 mp -53.76 -33.32 55.42 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.235 -179.359 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 585' ' ' GLN . . . . . 0.403 ' O ' ' HG2' ' A' ' 588' ' ' LYS . 18.0 mm-40 -65.02 -56.47 12.9 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.07 0.462 . . . . 0.0 109.921 179.264 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 586' ' ' ARG . . . . . 0.406 ' O ' ' HB2' ' A' ' 589' ' ' ARG . 0.8 OUTLIER -72.96 -38.16 66.85 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.845 -0.616 . . . . 0.0 112.008 179.8 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 587' ' ' HIS . . . . . 0.523 ' HB3' ' O ' ' A' ' 583' ' ' GLU . 0.2 OUTLIER -65.5 -44.77 86.01 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 109.206 -0.664 . . . . 0.0 109.206 -179.68 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 588' ' ' LYS . . . . . 0.487 ' HG2' ' O ' ' A' ' 584' ' ' LEU . 0.3 OUTLIER -59.99 -32.03 70.47 Favored 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 178.371 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 589' ' ' ARG . . . . . 0.416 ' N ' ' HG3' ' A' ' 588' ' ' LYS . 0.3 OUTLIER -48.76 -27.47 2.97 Favored 'General case' 0 C--N 1.333 -0.112 0 CA-C-N 114.763 -1.108 . . . . 0.0 110.928 179.613 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 590' ' ' THR . . . . . . . . . . . . . 9.5 t -114.93 28.93 8.38 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.688 179.743 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 591' ' ' HIS . . . . . 0.436 ' HB2' ' HA ' ' A' ' 588' ' ' LYS . 0.5 OUTLIER . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.84 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 566' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo . . . . . 0 C--O 1.232 0.182 0 CA-C-O 120.753 0.23 . . . . 0.0 112.595 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 567' ' ' PHE . . . . . 0.46 ' CG ' ' CD2' ' A' ' 584' ' ' LEU . 0.4 OUTLIER -106.3 155.5 19.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.336 179.571 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 568' ' ' MET . . . . . . . . . . . . . 5.1 ttt -147.37 100.55 3.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.786 0.327 . . . . 0.0 111.747 -179.589 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 569' ' ' CYS . . . . . . . . . . . . . 15.3 t -71.27 86.85 0.81 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.321 -0.4 . . . . 0.0 109.934 179.078 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -73.17 -26.12 61.06 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.533 -179.299 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 571' ' ' TRP . . . . . 0.5 ' CZ2' ' HB2' ' A' ' 588' ' ' LYS . 0.2 OUTLIER 40.66 -163.83 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 120.804 0.335 . . . . 0.0 111.603 -179.829 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 70.4 m -70.47 -24.79 62.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.82 0.343 . . . . 0.0 110.556 179.511 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 573' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -171.71 42.81 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.943 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 574' ' ' CYS . . . . . . . . . . . . . 51.5 t -91.83 -50.2 5.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.837 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . 56.35 20.47 29.71 Favored Glycine 0 CA--C 1.519 0.289 0 C-N-CA 120.919 -0.658 . . . . 0.0 113.058 179.677 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 576' ' ' LYS . . . . . 0.42 ' HD3' ' CZ ' ' A' ' 578' ' ' PHE . 34.7 ttmt -88.04 144.61 26.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.799 0.333 . . . . 0.0 110.881 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 16.0 mtt180 -114.46 141.15 48.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.064 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 578' ' ' PHE . . . . . 0.45 ' CE2' ' HG2' ' A' ' 583' ' ' GLU . 4.2 m-85 -131.43 163.97 26.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.978 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 579' ' ' THR . . . . . . . . . . . . . 14.5 m -108.44 -6.16 16.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.58 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 580' ' ' ARG . . . . . . . . . . . . . 1.3 mmm-85 -133.62 143.72 48.79 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.874 0.368 . . . . 0.0 111.088 -179.682 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 581' ' ' SER . . . . . 0.47 ' HA ' ' CD2' ' A' ' 584' ' ' LEU . 24.4 m -64.54 -43.98 92.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.56 179.677 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 582' ' ' ASP . . . . . 0.417 ' HA ' ' NE2' ' A' ' 585' ' ' GLN . 0.6 OUTLIER -52.96 -33.84 52.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.756 -179.799 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 583' ' ' GLU . . . . . 0.611 ' O ' ' HB3' ' A' ' 587' ' ' HIS . 2.2 tt0 -55.26 -56.06 24.35 Favored 'General case' 0 CA--C 1.51 -0.576 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.56 -179.316 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 584' ' ' LEU . . . . . 0.492 ' O ' ' HB3' ' A' ' 588' ' ' LYS . 0.5 OUTLIER -62.49 -33.08 74.16 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.345 -179.206 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 585' ' ' GLN . . . . . 0.445 ' NE2' ' O ' ' A' ' 581' ' ' SER . 0.0 OUTLIER -58.77 -56.7 18.78 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.157 0.503 . . . . 0.0 109.831 179.288 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 586' ' ' ARG . . . . . 0.421 ' O ' ' CB ' ' A' ' 589' ' ' ARG . 38.7 ptt85 -73.33 -44.7 58.42 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.794 -0.639 . . . . 0.0 112.075 179.514 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 587' ' ' HIS . . . . . 0.611 ' HB3' ' O ' ' A' ' 583' ' ' GLU . 0.2 OUTLIER -60.32 -52.04 66.95 Favored 'General case' 0 CA--C 1.522 -0.126 0 N-CA-C 109.627 -0.509 . . . . 0.0 109.627 -179.716 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 588' ' ' LYS . . . . . 0.5 ' HB2' ' CZ2' ' A' ' 571' ' ' TRP . 47.6 pttt -56.37 -32.08 64.41 Favored 'General case' 0 N--CA 1.455 -0.186 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 178.255 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 589' ' ' ARG . . . . . 0.421 ' CB ' ' O ' ' A' ' 586' ' ' ARG . 1.1 tpt180 -52.98 -30.01 32.53 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-N 114.841 -1.072 . . . . 0.0 110.941 179.602 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 590' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -116.34 29.59 7.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.069 -179.699 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 591' ' ' HIS . . . . . 0.403 ' HB2' ' HA ' ' A' ' 588' ' ' LYS . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.896 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 566' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo . . . . . 0 C--O 1.231 0.174 0 CA-C-O 120.909 0.295 . . . . 0.0 112.423 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 567' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -129.23 94.09 3.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.717 179.742 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 568' ' ' MET . . . . . . . . . . . . . 2.2 ptt? -125.87 138.37 53.8 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.214 -179.708 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 569' ' ' CYS . . . . . 0.411 ' N ' ' CD2' ' A' ' 584' ' ' LEU . 0.4 OUTLIER -59.12 138.3 57.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.064 179.604 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 44.0 p -95.64 21.62 8.13 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 112.747 0.647 . . . . 0.0 112.747 -178.271 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 571' ' ' TRP . . . . . 0.443 ' CZ2' ' HB2' ' A' ' 588' ' ' LYS . 0.6 OUTLIER -52.25 -179.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.883 0.373 . . . . 0.0 111.201 179.864 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 82.9 p -59.77 -47.02 87.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.441 -179.637 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 573' ' ' TYR . . . . . . . . . . . . . 21.2 t80 -163.76 79.55 0.42 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.875 0.369 . . . . 0.0 111.09 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 574' ' ' CYS . . . . . . . . . . . . . 43.3 t -101.69 -50.16 3.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.85 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . 63.13 61.16 6.64 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.569 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 576' ' ' LYS . . . . . . . . . . . . . 8.4 mtpt -153.74 109.46 3.24 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-O 120.883 0.373 . . . . 0.0 110.969 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 5.8 mtm-85 -89.53 157.09 18.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.892 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 578' ' ' PHE . . . . . 0.51 ' CD2' ' HB3' ' A' ' 583' ' ' GLU . 7.5 m-85 -135.09 163.89 28.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.137 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 579' ' ' THR . . . . . . . . . . . . . 5.5 m -93.95 -7.86 41.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.727 -179.734 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 580' ' ' ARG . . . . . . . . . . . . . 51.9 mmm-85 -145.07 138.48 26.71 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.849 0.357 . . . . 0.0 111.091 -179.739 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 581' ' ' SER . . . . . 0.457 ' O ' ' NE2' ' A' ' 585' ' ' GLN . 1.2 m -58.35 -35.74 72.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.536 179.718 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 582' ' ' ASP . . . . . 0.414 ' HA ' ' NE2' ' A' ' 585' ' ' GLN . 5.0 m-20 -52.64 -33.53 47.23 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.78 179.785 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 583' ' ' GLU . . . . . 0.535 ' O ' ' HB3' ' A' ' 587' ' ' HIS . 4.5 tp10 -58.64 -55.71 31.51 Favored 'General case' 0 CA--C 1.509 -0.603 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.58 179.351 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 584' ' ' LEU . . . . . 0.443 ' O ' ' HB3' ' A' ' 588' ' ' LYS . 24.4 mt -57.15 -36.15 70.39 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.429 -179.436 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 585' ' ' GLN . . . . . 0.457 ' NE2' ' O ' ' A' ' 581' ' ' SER . 0.0 OUTLIER -59.6 -56.36 22.89 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.083 0.468 . . . . 0.0 109.909 179.278 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 586' ' ' ARG . . . . . . . . . . . . . 11.3 ptm180 -72.77 -43.22 63.12 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.781 -0.645 . . . . 0.0 112.394 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 587' ' ' HIS . . . . . 0.535 ' HB3' ' O ' ' A' ' 583' ' ' GLU . 0.1 OUTLIER -62.03 -53.13 59.85 Favored 'General case' 0 CA--C 1.52 -0.206 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 -179.541 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 588' ' ' LYS . . . . . 0.474 ' HA ' ' HB2' ' A' ' 591' ' ' HIS . 6.4 pttt -58.12 -29.89 65.86 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 108.944 -0.761 . . . . 0.0 108.944 178.271 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 589' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -53.02 -32.11 44.91 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 114.931 -1.032 . . . . 0.0 110.784 179.362 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 590' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -109.46 17.03 21.84 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.124 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 591' ' ' HIS . . . . . 0.474 ' HB2' ' HA ' ' A' ' 588' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.275 0 CA-C-O 120.859 0.361 . . . . 0.0 110.695 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 566' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_endo . . . . . 0 CA--C 1.527 0.152 0 CA-C-O 120.882 0.284 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 567' ' ' PHE . . . . . 0.414 ' CE1' ' OG ' ' A' ' 581' ' ' SER . 98.9 m-85 -129.25 118.95 23.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.661 179.706 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 568' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -135.22 124.46 24.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.059 -179.814 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 569' ' ' CYS . . . . . 0.418 ' HA ' ' CD2' ' A' ' 584' ' ' LEU . 13.4 p -50.91 157.43 0.82 Allowed 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.473 179.668 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 61.5 p -90.39 20.86 4.2 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.174 0.435 . . . . 0.0 112.174 -179.108 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 571' ' ' TRP . . . . . 0.51 ' CD2' ' CD2' ' A' ' 591' ' ' HIS . 7.9 m-90 -102.07 100.27 10.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.859 0.361 . . . . 0.0 110.568 179.457 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 55.5 p -55.07 -30.87 60.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.59 -179.453 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 573' ' ' TYR . . . . . . . . . . . . . 38.7 p90 -92.92 18.43 9.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.435 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 574' ' ' CYS . . . . . 0.45 ' HB2' ' CE1' ' A' ' 591' ' ' HIS . 53.8 t -101.77 -50.31 3.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.773 0.32 . . . . 0.0 110.917 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . 56.37 66.02 3.15 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.531 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 576' ' ' LYS . . . . . . . . . . . . . 9.9 ttmm -160.88 117.72 2.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.869 0.366 . . . . 0.0 111.028 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 8.2 mtt180 -89.74 163.5 15.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.84 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 578' ' ' PHE . . . . . 0.475 ' CD2' ' HB3' ' A' ' 583' ' ' GLU . 6.7 m-85 -137.51 164.2 29.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.966 0.412 . . . . 0.0 111.233 -179.849 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 579' ' ' THR . . . . . . . . . . . . . 30.2 m -98.95 -7.83 26.42 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.673 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 580' ' ' ARG . . . . . . . . . . . . . 24.3 mmt85 -146.22 154.53 41.84 Favored 'General case' 0 C--N 1.334 -0.108 0 CA-C-O 120.953 0.406 . . . . 0.0 111.251 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 581' ' ' SER . . . . . 0.457 ' O ' ' NE2' ' A' ' 585' ' ' GLN . 49.5 m -70.37 -35.83 73.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.919 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 582' ' ' ASP . . . . . 0.439 ' HA ' ' NE2' ' A' ' 585' ' ' GLN . 0.1 OUTLIER -52.49 -38.13 58.82 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.912 -179.742 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 583' ' ' GLU . . . . . 0.545 ' O ' ' HB3' ' A' ' 587' ' ' HIS . 2.9 tt0 -55.35 -55.48 31.01 Favored 'General case' 0 CA--C 1.511 -0.522 0 CA-C-O 121.102 0.477 . . . . 0.0 110.639 179.369 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 584' ' ' LEU . . . . . 0.418 ' CD2' ' HA ' ' A' ' 569' ' ' CYS . 5.6 mp -54.39 -36.14 63.6 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.639 -179.312 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 585' ' ' GLN . . . . . 0.457 ' NE2' ' O ' ' A' ' 581' ' ' SER . 0.0 OUTLIER -63.7 -56.89 12.24 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.641 -0.423 . . . . 0.0 110.23 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 586' ' ' ARG . . . . . 0.551 ' O ' ' HB2' ' A' ' 589' ' ' ARG . 3.4 mtt180 -73.41 -35.76 65.89 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 112.948 0.721 . . . . 0.0 112.948 -179.874 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 587' ' ' HIS . . . . . 0.545 ' HB3' ' O ' ' A' ' 583' ' ' GLU . 0.1 OUTLIER -68.6 -37.29 79.68 Favored 'General case' 0 CA--C 1.52 -0.196 0 C-N-CA 120.202 -0.599 . . . . 0.0 109.839 -178.953 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 588' ' ' LYS . . . . . 0.453 ' HG3' ' N ' ' A' ' 589' ' ' ARG . 0.4 OUTLIER -62.39 -28.76 70.0 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.327 0.584 . . . . 0.0 109.5 178.65 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 589' ' ' ARG . . . . . 0.551 ' HB2' ' O ' ' A' ' 586' ' ' ARG . 4.6 mmt180 -45.99 -28.92 1.27 Allowed 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 115.116 -0.947 . . . . 0.0 111.131 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 590' ' ' THR . . . . . . . . . . . . . 10.1 t -121.85 42.32 3.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.99 -179.783 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 591' ' ' HIS . . . . . 0.51 ' CD2' ' CD2' ' A' ' 571' ' ' TRP . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.895 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 566' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo . . . . . 0 CA--C 1.528 0.177 0 CA-C-O 120.83 0.262 . . . . 0.0 112.742 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 567' ' ' PHE . . . . . . . . . . . . . 83.0 m-85 -129.28 90.8 3.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.539 179.589 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 568' ' ' MET . . . . . . . . . . . . . 2.7 ptt? -131.33 135.89 47.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.926 0.393 . . . . 0.0 111.32 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 569' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -60.53 138.01 58.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.064 179.646 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 31.2 p -98.87 25.97 6.15 Favored 'General case' 0 N--CA 1.464 0.236 0 N-CA-C 112.388 0.514 . . . . 0.0 112.388 -178.575 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 571' ' ' TRP . . . . . 0.448 ' CZ2' ' HB2' ' A' ' 588' ' ' LYS . 0.6 OUTLIER -54.05 -176.3 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.902 0.382 . . . . 0.0 111.19 179.907 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 39.2 t -65.96 -46.89 76.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.31 -179.694 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 573' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -158.7 76.03 0.73 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.961 0.41 . . . . 0.0 111.158 -179.767 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 574' ' ' CYS . . . . . . . . . . . . . 41.5 t -101.71 -50.17 3.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.748 179.744 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . 59.6 60.45 8.73 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.479 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 576' ' ' LYS . . . . . . . . . . . . . 3.9 mttt -154.91 106.85 2.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.872 0.368 . . . . 0.0 111.022 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 14.7 mtt85 -89.5 159.34 17.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.708 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 578' ' ' PHE . . . . . 0.508 ' CD2' ' HB3' ' A' ' 583' ' ' GLU . 9.2 m-85 -134.09 163.71 28.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.928 0.394 . . . . 0.0 110.917 -179.879 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 579' ' ' THR . . . . . . . . . . . . . 12.2 m -95.17 -7.84 38.05 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.306 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 580' ' ' ARG . . . . . 0.446 ' HD2' ' N ' ' A' ' 580' ' ' ARG . 1.9 mpt_? -136.62 137.15 39.82 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-O 120.832 0.349 . . . . 0.0 110.905 -179.876 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 581' ' ' SER . . . . . 0.442 ' O ' ' NE2' ' A' ' 585' ' ' GLN . 0.3 OUTLIER -59.07 -40.01 83.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.01 0.433 . . . . 0.0 110.269 179.541 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -52.85 -34.12 52.87 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.381 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 583' ' ' GLU . . . . . 0.596 ' O ' ' HB3' ' A' ' 587' ' ' HIS . 8.4 tp10 -55.32 -56.28 21.87 Favored 'General case' 0 CA--C 1.508 -0.659 0 CA-C-O 120.887 0.375 . . . . 0.0 111.062 -179.842 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 584' ' ' LEU . . . . . 0.416 ' O ' ' HB3' ' A' ' 588' ' ' LYS . 0.6 OUTLIER -59.6 -33.22 71.2 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.749 -0.659 . . . . 0.0 111.11 -179.333 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 585' ' ' GLN . . . . . 0.466 ' O ' ' HG3' ' A' ' 588' ' ' LYS . 0.0 OUTLIER -61.19 -56.53 19.7 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.013 0.435 . . . . 0.0 109.999 179.209 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 586' ' ' ARG . . . . . 0.436 ' HG3' ' N ' ' A' ' 587' ' ' HIS . 12.3 ptt180 -72.99 -41.66 64.09 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.019 -0.537 . . . . 0.0 112.099 179.64 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 587' ' ' HIS . . . . . 0.596 ' HB3' ' O ' ' A' ' 583' ' ' GLU . 0.1 OUTLIER -62.45 -45.84 91.24 Favored 'General case' 0 CA--C 1.521 -0.166 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 -179.643 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 588' ' ' LYS . . . . . 0.485 ' HG3' ' N ' ' A' ' 589' ' ' ARG . 0.0 OUTLIER -61.3 -31.86 71.7 Favored 'General case' 0 N--CA 1.454 -0.274 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 178.312 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 589' ' ' ARG . . . . . 0.485 ' N ' ' HG3' ' A' ' 588' ' ' LYS . 0.3 OUTLIER -51.18 -28.77 11.99 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 114.751 -1.113 . . . . 0.0 111.077 179.8 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 590' ' ' THR . . . . . . . . . . . . . 10.0 t -124.47 32.3 5.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.781 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 591' ' ' HIS . . . . . 0.415 ' HB2' ' HA ' ' A' ' 588' ' ' LYS . 1.2 t-80 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.924 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 566' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_exo . . . . . 0 CA--C 1.529 0.269 0 N-CA-C 112.991 0.343 . . . . 0.0 112.991 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 567' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -129.61 123.89 32.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.616 179.409 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 568' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -147.41 127.17 13.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.797 0.332 . . . . 0.0 111.141 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 569' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -61.31 142.69 56.69 Favored 'General case' 0 CA--C 1.532 0.252 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 179.567 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -96.83 10.15 39.75 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.794 0.664 . . . . 0.0 112.794 -178.304 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 571' ' ' TRP . . . . . 0.456 ' CZ2' ' HB2' ' A' ' 588' ' ' LYS . 0.9 OUTLIER -47.44 168.91 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.894 0.378 . . . . 0.0 111.571 -179.809 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 59.7 p -56.85 -47.04 81.3 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.808 -179.128 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 573' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -161.51 82.72 0.61 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.861 0.362 . . . . 0.0 111.36 -179.645 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 574' ' ' CYS . . . . . . . . . . . . . 40.9 t -101.71 -50.21 3.77 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.654 179.715 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . 68.7 51.82 28.34 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.571 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 576' ' ' LYS . . . . . . . . . . . . . 7.8 tttt -149.56 124.48 9.94 Favored 'General case' 0 N--CA 1.453 -0.275 0 CA-C-O 120.838 0.351 . . . . 0.0 110.951 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 11.9 mtt-85 -89.55 163.61 15.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.768 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 578' ' ' PHE . . . . . 0.4 ' CZ ' ' CD2' ' A' ' 587' ' ' HIS . 41.7 m-85 -138.08 163.7 30.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.39 -179.394 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 579' ' ' THR . . . . . . . . . . . . . 19.0 m -109.75 -17.67 13.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.048 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 580' ' ' ARG . . . . . . . . . . . . . 3.7 mmm180 -139.38 143.06 37.55 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.798 0.332 . . . . 0.0 110.74 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 581' ' ' SER . . . . . 0.47 ' O ' ' NE2' ' A' ' 585' ' ' GLN . 78.2 p -60.18 -36.97 78.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.828 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 582' ' ' ASP . . . . . 0.423 ' HA ' ' NE2' ' A' ' 585' ' ' GLN . 1.4 m-20 -52.54 -35.05 52.75 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.081 -179.757 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 583' ' ' GLU . . . . . 0.48 ' O ' ' HB3' ' A' ' 587' ' ' HIS . 4.9 tp10 -58.3 -55.03 40.2 Favored 'General case' 0 CA--C 1.51 -0.586 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.665 179.397 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 584' ' ' LEU . . . . . 0.436 ' O ' ' HB3' ' A' ' 588' ' ' LYS . 7.3 mp -54.15 -36.82 63.75 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.04 -179.617 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 585' ' ' GLN . . . . . 0.47 ' NE2' ' O ' ' A' ' 581' ' ' SER . 0.0 OUTLIER -60.06 -56.39 22.17 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.123 0.487 . . . . 0.0 109.886 179.204 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 586' ' ' ARG . . . . . . . . . . . . . 4.0 ptm180 -72.8 -42.65 63.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.671 -0.695 . . . . 0.0 112.388 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 587' ' ' HIS . . . . . 0.48 ' HB3' ' O ' ' A' ' 583' ' ' GLU . 0.2 OUTLIER -62.64 -53.63 51.65 Favored 'General case' 0 CA--C 1.518 -0.256 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 -179.625 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 588' ' ' LYS . . . . . 0.472 ' HA ' ' HB2' ' A' ' 591' ' ' HIS . 0.4 OUTLIER -57.95 -31.13 66.56 Favored 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 178.449 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 589' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.88 -30.34 5.73 Favored 'General case' 0 C--O 1.231 0.109 0 CA-C-N 114.954 -1.021 . . . . 0.0 110.944 179.373 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 590' ' ' THR . . . . . . . . . . . . . 4.2 t -121.63 28.09 7.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.856 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 591' ' ' HIS . . . . . 0.472 ' HB2' ' HA ' ' A' ' 588' ' ' LYS . 1.5 t-80 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.94 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 566' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_endo . . . . . 0 C--O 1.232 0.21 0 CA-C-O 120.792 0.247 . . . . 0.0 112.638 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 567' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -129.28 119.57 24.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.71 179.618 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 568' ' ' MET . . . . . . . . . . . . . 7.2 ptt? -147.34 129.94 15.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.911 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 569' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -59.78 140.5 56.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.071 179.68 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 44.9 p -89.95 3.69 52.34 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 112.794 0.664 . . . . 0.0 112.794 -178.368 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 571' ' ' TRP . . . . . 0.449 ' CH2' ' HB2' ' A' ' 588' ' ' LYS . 0.8 OUTLIER -46.24 167.3 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 120.937 0.399 . . . . 0.0 111.58 -179.713 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 3.4 m -57.01 -47.18 81.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.886 -179.16 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 573' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -163.34 87.34 0.54 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.833 0.349 . . . . 0.0 111.337 -179.647 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 574' ' ' CYS . . . . . . . . . . . . . 43.3 t -101.67 -50.22 3.77 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.573 179.65 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . 74.81 43.89 26.75 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.913 -0.66 . . . . 0.0 112.681 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 576' ' ' LYS . . . . . . . . . . . . . 58.1 mttt -144.83 122.93 12.12 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-O 120.823 0.344 . . . . 0.0 110.977 179.792 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 5.6 mtt180 -89.48 163.56 15.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.632 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 578' ' ' PHE . . . . . 0.424 ' CD2' ' HB3' ' A' ' 583' ' ' GLU . 60.4 m-85 -136.74 163.91 29.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.116 0.484 . . . . 0.0 111.449 -179.346 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 579' ' ' THR . . . . . . . . . . . . . 1.7 m -109.92 -17.92 13.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.831 179.636 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 580' ' ' ARG . . . . . 0.43 ' HD3' ' N ' ' A' ' 580' ' ' ARG . 1.3 mpp_? -130.19 137.16 49.94 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-O 120.88 0.371 . . . . 0.0 111.138 -179.845 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 581' ' ' SER . . . . . 0.434 ' O ' ' HG ' ' A' ' 584' ' ' LEU . 0.3 OUTLIER -60.64 -21.94 63.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.066 179.737 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -73.21 -34.49 65.96 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.772 -179.307 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 583' ' ' GLU . . . . . 0.44 ' O ' ' HB3' ' A' ' 587' ' ' HIS . 4.0 tp10 -55.07 -55.33 32.28 Favored 'General case' 0 CA--C 1.509 -0.604 0 CA-C-O 120.837 0.351 . . . . 0.0 111.232 -179.542 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 584' ' ' LEU . . . . . 0.434 ' HG ' ' O ' ' A' ' 581' ' ' SER . 0.0 OUTLIER -53.97 -32.62 54.53 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.964 -179.457 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 585' ' ' GLN . . . . . 0.411 ' NE2' ' CD1' ' A' ' 584' ' ' LEU . 16.2 mm-40 -63.89 -56.25 16.68 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.122 0.487 . . . . 0.0 109.952 179.042 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 586' ' ' ARG . . . . . 0.422 ' HG3' ' N ' ' A' ' 587' ' ' HIS . 2.6 ptm180 -72.63 -39.54 67.15 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.718 -0.673 . . . . 0.0 112.431 -179.842 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 587' ' ' HIS . . . . . 0.444 ' CD2' ' N ' ' A' ' 588' ' ' LYS . 0.1 OUTLIER -65.3 -52.34 54.76 Favored 'General case' 0 CA--C 1.519 -0.218 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 -179.854 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 588' ' ' LYS . . . . . 0.487 ' HA ' ' HB2' ' A' ' 591' ' ' HIS . 14.2 pttt -59.8 -30.87 69.2 Favored 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 178.404 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 589' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.08 -32.68 4.3 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 114.996 -1.002 . . . . 0.0 110.784 179.396 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 590' ' ' THR . . . . . . . . . . . . . 4.0 t -123.91 27.98 7.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.649 179.754 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 591' ' ' HIS . . . . . 0.487 ' HB2' ' HA ' ' A' ' 588' ' ' LYS . 1.7 t-80 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.916 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 566' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_endo . . . . . 0 N--CA 1.463 -0.293 0 CA-C-O 120.701 0.209 . . . . 0.0 112.631 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 567' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 -129.33 104.13 7.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.796 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 568' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -147.28 121.16 9.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.082 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 569' ' ' CYS . . . . . 0.409 ' N ' ' CD2' ' A' ' 584' ' ' LEU . 0.1 OUTLIER -60.17 125.35 23.35 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 179.552 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 2.6 p -92.9 37.85 1.02 Allowed 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 111.972 0.36 . . . . 0.0 111.972 -178.717 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 571' ' ' TRP . . . . . 0.439 ' CZ2' ' HB2' ' A' ' 588' ' ' LYS . 1.2 m-90 -65.31 169.22 6.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.879 0.371 . . . . 0.0 111.129 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -52.08 -46.95 65.4 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.654 -179.439 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 573' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -161.14 73.0 0.45 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.902 0.382 . . . . 0.0 111.133 -179.804 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 574' ' ' CYS . . . . . . . . . . . . . 41.6 t -101.5 -46.47 4.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.533 179.648 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . 58.47 64.27 4.47 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.614 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 576' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -155.5 123.81 5.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.867 0.365 . . . . 0.0 110.938 179.81 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -89.52 163.53 15.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.654 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 578' ' ' PHE . . . . . 0.414 ' CD1' HD22 ' A' ' 584' ' ' LEU . 41.8 m-85 -138.16 163.68 31.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.031 0.444 . . . . 0.0 111.435 -179.452 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 579' ' ' THR . . . . . . . . . . . . . 30.0 m -108.02 -15.89 14.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.108 179.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 580' ' ' ARG . . . . . . . . . . . . . 7.9 mmt85 -140.5 140.26 35.26 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.872 0.367 . . . . 0.0 110.699 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 581' ' ' SER . . . . . 0.47 ' O ' ' NE2' ' A' ' 585' ' ' GLN . 0.9 OUTLIER -58.25 -39.9 80.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.063 -179.845 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -52.66 -34.09 50.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.207 -179.722 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 583' ' ' GLU . . . . . 0.506 ' O ' ' HB3' ' A' ' 587' ' ' HIS . 4.3 tp10 -56.68 -55.11 38.19 Favored 'General case' 0 CA--C 1.507 -0.688 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.914 179.602 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 584' ' ' LEU . . . . . 0.476 ' O ' ' HB3' ' A' ' 588' ' ' LYS . 0.8 OUTLIER -53.91 -33.01 55.37 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.112 -179.311 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 585' ' ' GLN . . . . . 0.47 ' NE2' ' O ' ' A' ' 581' ' ' SER . 0.1 OUTLIER -66.03 -56.14 13.1 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.047 0.451 . . . . 0.0 109.806 179.354 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 586' ' ' ARG . . . . . 0.406 ' HG3' ' N ' ' A' ' 587' ' ' HIS . 1.0 OUTLIER -72.61 -37.91 67.96 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.887 -0.597 . . . . 0.0 112.175 179.842 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 587' ' ' HIS . . . . . 0.506 ' HB3' ' O ' ' A' ' 583' ' ' GLU . 0.1 OUTLIER -65.51 -43.36 90.32 Favored 'General case' 0 CA--C 1.518 -0.283 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 -179.951 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 588' ' ' LYS . . . . . 0.516 ' HG3' ' N ' ' A' ' 589' ' ' ARG . 0.2 OUTLIER -60.01 -32.35 70.79 Favored 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 178.437 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 589' ' ' ARG . . . . . 0.516 ' N ' ' HG3' ' A' ' 588' ' ' LYS . 0.0 OUTLIER -50.66 -27.85 7.76 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-N 114.719 -1.128 . . . . 0.0 110.804 179.522 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 590' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -116.54 26.73 9.66 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.779 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 591' ' ' HIS . . . . . 0.424 ' HB2' ' HA ' ' A' ' 588' ' ' LYS . 1.8 t-80 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.971 -179.923 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 566' ' ' PRO . . . . . 0.424 ' HD2' ' CE2' ' A' ' 567' ' ' PHE . 83.2 Cg_endo . . . . . 0 N--CA 1.463 -0.271 0 N-CA-C 112.798 0.268 . . . . 0.0 112.798 . . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 567' ' ' PHE . . . . . 0.424 ' CE2' ' HD2' ' A' ' 566' ' ' PRO . 14.3 m-85 -129.32 90.84 3.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.867 0.365 . . . . 0.0 110.769 179.716 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 568' ' ' MET . . . . . 0.406 ' N ' HD22 ' A' ' 584' ' ' LEU . 0.7 OUTLIER -136.24 135.85 39.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.771 179.931 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 569' ' ' CYS . . . . . 0.423 ' HA ' HD23 ' A' ' 584' ' ' LEU . 1.0 OUTLIER -55.89 143.69 30.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.372 179.912 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 39.6 p -89.55 13.62 13.5 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 112.765 0.654 . . . . 0.0 112.765 -178.429 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 571' ' ' TRP . . . . . 0.46 ' CZ2' ' HB3' ' A' ' 591' ' ' HIS . 0.8 OUTLIER -56.32 168.32 0.55 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.795 0.331 . . . . 0.0 110.998 -179.995 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 57.7 m -57.65 -47.06 83.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.445 -179.526 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 573' ' ' TYR . . . . . 0.405 ' O ' ' CD2' ' A' ' 573' ' ' TYR . 15.8 p90 -163.9 86.32 0.49 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.924 0.393 . . . . 0.0 110.957 -179.905 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 574' ' ' CYS . . . . . . . . . . . . . 9.2 t -101.6 -50.06 3.83 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.96 -179.961 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . 81.08 4.01 90.58 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.821 -179.897 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 576' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.59 99.37 12.3 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-O 120.811 0.339 . . . . 0.0 110.959 -179.886 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 26.9 mtt85 -89.52 144.24 26.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.553 179.73 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 578' ' ' PHE . . . . . 0.501 ' CD2' ' HB3' ' A' ' 583' ' ' GLU . 20.1 m-85 -134.27 164.11 28.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.452 -179.475 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 579' ' ' THR . . . . . . . . . . . . . 59.5 m -105.88 -7.37 18.27 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.486 -179.988 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 580' ' ' ARG . . . . . 0.403 ' HD2' ' N ' ' A' ' 580' ' ' ARG . 1.7 mpt_? -130.62 137.12 49.47 Favored 'General case' 0 N--CA 1.456 -0.158 0 CA-C-O 120.81 0.338 . . . . 0.0 111.009 -179.766 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 581' ' ' SER . . . . . . . . . . . . . 9.8 t -60.03 -33.54 72.16 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.499 179.671 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.54 -40.7 65.72 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.049 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 583' ' ' GLU . . . . . 0.551 ' O ' ' HB3' ' A' ' 587' ' ' HIS . 2.6 tp10 -55.23 -55.42 31.47 Favored 'General case' 0 CA--C 1.509 -0.605 0 CA-C-O 121.054 0.454 . . . . 0.0 110.6 179.612 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 584' ' ' LEU . . . . . 0.463 ' O ' ' HB2' ' A' ' 588' ' ' LYS . 6.5 mp -55.23 -33.26 62.96 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.745 -179.232 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 585' ' ' GLN . . . . . 0.416 ' O ' ' HG2' ' A' ' 589' ' ' ARG . 21.9 mm-40 -66.63 -56.78 9.1 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.326 -0.55 . . . . 0.0 109.932 179.62 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 586' ' ' ARG . . . . . 0.539 ' O ' ' HB2' ' A' ' 589' ' ' ARG . 2.3 ptm180 -72.78 -36.99 67.75 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.898 0.703 . . . . 0.0 112.898 -179.722 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 587' ' ' HIS . . . . . 0.551 ' HB3' ' O ' ' A' ' 583' ' ' GLU . 0.1 OUTLIER -68.35 -34.81 76.76 Favored 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 -179.616 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 588' ' ' LYS . . . . . 0.463 ' HB2' ' O ' ' A' ' 584' ' ' LEU . 87.7 mttt -72.77 -28.73 62.78 Favored 'General case' 0 N--CA 1.45 -0.433 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 178.27 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 589' ' ' ARG . . . . . 0.539 ' HB2' ' O ' ' A' ' 586' ' ' ARG . 12.2 mmm-85 -54.09 -24.65 18.26 Favored 'General case' 0 C--O 1.231 0.119 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.85 179.62 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 590' ' ' THR . . . . . . . . . . . . . 7.9 t -113.74 17.66 17.96 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.137 179.941 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 591' ' ' HIS . . . . . 0.46 ' HB3' ' CZ2' ' A' ' 571' ' ' TRP . 0.1 OUTLIER . . . . . 0 C--N 1.331 -0.222 0 CA-C-O 120.895 0.379 . . . . 0.0 110.773 179.983 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 566' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_endo . . . . . 0 N--CA 1.464 -0.246 0 CA-C-O 120.714 0.214 . . . . 0.0 112.594 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 567' ' ' PHE . . . . . . . . . . . . . 63.3 m-85 -129.32 93.49 3.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.77 179.885 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 568' ' ' MET . . . . . . . . . . . . . 16.8 ptt? -135.13 127.51 30.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.876 -179.945 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 569' ' ' CYS . . . . . 0.426 ' N ' ' CD2' ' A' ' 584' ' ' LEU . 0.5 OUTLIER -62.35 130.65 46.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.264 -0.425 . . . . 0.0 109.864 179.732 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 1.2 p -88.72 16.04 7.34 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 112.67 0.619 . . . . 0.0 112.67 -178.383 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 571' ' ' TRP . . . . . 0.483 ' CZ2' ' HB2' ' A' ' 588' ' ' LYS . 0.8 OUTLIER -50.23 171.64 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.886 0.374 . . . . 0.0 111.307 179.995 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 60.2 p -56.72 -47.02 80.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.435 -179.555 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 573' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -165.34 84.19 0.36 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.833 0.349 . . . . 0.0 111.13 -179.817 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 574' ' ' CYS . . . . . . . . . . . . . 51.7 t -101.6 -50.17 3.8 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.723 179.803 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . 71.45 47.41 35.35 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.557 179.953 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 576' ' ' LYS . . . . . . . . . . . . . 43.1 mttm -145.44 121.42 10.69 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-O 120.851 0.357 . . . . 0.0 111.024 179.899 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.43 163.58 15.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.626 179.815 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 578' ' ' PHE . . . . . . . . . . . . . 38.4 m-85 -136.83 163.69 30.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.003 0.43 . . . . 0.0 111.602 -179.27 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 579' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -106.19 -15.58 14.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.063 179.754 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 580' ' ' ARG . . . . . . . . . . . . . 4.7 mtm180 -142.24 149.02 39.06 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.878 0.371 . . . . 0.0 110.764 179.953 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 581' ' ' SER . . . . . 0.48 ' O ' ' NE2' ' A' ' 585' ' ' GLN . 0.3 OUTLIER -64.21 -37.2 86.63 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.08 -179.839 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 582' ' ' ASP . . . . . 0.427 ' HA ' ' NE2' ' A' ' 585' ' ' GLN . 6.9 t0 -52.47 -37.98 58.31 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.431 -179.551 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 583' ' ' GLU . . . . . 0.518 ' O ' ' HB3' ' A' ' 587' ' ' HIS . 5.1 tt0 -55.65 -55.04 36.77 Favored 'General case' 0 CA--C 1.508 -0.668 0 CA-C-O 120.858 0.361 . . . . 0.0 110.993 179.641 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 584' ' ' LEU . . . . . 0.508 ' O ' ' HG2' ' A' ' 588' ' ' LYS . 1.7 mp -53.89 -33.06 55.39 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.136 -179.294 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 585' ' ' GLN . . . . . 0.48 ' NE2' ' O ' ' A' ' 581' ' ' SER . 0.0 OUTLIER -65.13 -56.73 11.27 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.015 0.436 . . . . 0.0 109.979 179.277 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 586' ' ' ARG . . . . . 0.4 ' HG3' ' N ' ' A' ' 587' ' ' HIS . 0.3 OUTLIER -72.87 -37.56 67.3 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.896 -0.593 . . . . 0.0 112.325 179.914 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 587' ' ' HIS . . . . . 0.518 ' HB3' ' O ' ' A' ' 583' ' ' GLU . 0.2 OUTLIER -65.85 -41.94 91.07 Favored 'General case' 0 CA--C 1.518 -0.261 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 -179.972 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 588' ' ' LYS . . . . . 0.508 ' HG2' ' O ' ' A' ' 584' ' ' LEU . 0.1 OUTLIER -61.84 -32.65 72.99 Favored 'General case' 0 N--CA 1.45 -0.444 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 178.303 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 589' ' ' ARG . . . . . 0.507 ' N ' ' HG3' ' A' ' 588' ' ' LYS . 0.1 OUTLIER -50.87 -26.99 6.51 Favored 'General case' 0 C--O 1.231 0.121 0 CA-C-N 114.736 -1.12 . . . . 0.0 111.028 179.634 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 590' ' ' THR . . . . . . . . . . . . . 9.2 t -120.37 30.33 7.01 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.758 179.928 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 591' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.861 -179.944 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 566' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo . . . . . 0 C--O 1.231 0.161 0 CA-C-O 120.903 0.293 . . . . 0.0 112.437 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 567' ' ' PHE . . . . . 0.417 ' CE1' ' HB3' ' A' ' 581' ' ' SER . 59.7 m-85 -129.36 100.48 5.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.807 179.857 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 568' ' ' MET . . . . . . . . . . . . . 18.8 ptp -138.15 130.26 28.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.055 -179.953 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 569' ' ' CYS . . . . . 0.422 ' N ' ' CD2' ' A' ' 584' ' ' LEU . 0.5 OUTLIER -57.32 135.49 56.5 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.195 179.753 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 17.3 p -92.83 33.92 1.12 Allowed 'General case' 0 N--CA 1.463 0.212 0 N-CA-C 112.57 0.581 . . . . 0.0 112.57 -178.441 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 571' ' ' TRP . . . . . 0.454 ' CZ2' ' HB2' ' A' ' 588' ' ' LYS . 1.3 m-90 -67.22 -177.43 0.67 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.86 0.362 . . . . 0.0 110.939 179.552 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 2.6 t -70.69 -46.87 62.36 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.95 -179.962 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 573' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -158.2 77.64 0.8 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 179.938 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 574' ' ' CYS . . . . . . . . . . . . . 41.7 t -101.23 -49.91 3.93 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.723 179.95 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . 63.03 61.59 6.26 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.627 179.885 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 576' ' ' LYS . . . . . . . . . . . . . 2.8 mtpm? -154.37 107.53 2.87 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-O 120.921 0.391 . . . . 0.0 110.895 179.827 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 4.3 mtt180 -89.5 156.48 18.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.676 179.968 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 578' ' ' PHE . . . . . 0.495 ' CD2' ' HB3' ' A' ' 583' ' ' GLU . 9.9 m-85 -135.87 163.89 29.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.032 0.444 . . . . 0.0 111.277 -179.869 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 579' ' ' THR . . . . . . . . . . . . . 27.2 m -100.6 -6.04 25.85 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.464 -179.928 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 580' ' ' ARG . . . . . . . . . . . . . 2.3 mmm180 -138.82 137.12 36.33 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.834 0.349 . . . . 0.0 110.883 -179.762 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 581' ' ' SER . . . . . 0.452 ' O ' ' NE2' ' A' ' 585' ' ' GLN . 88.3 p -59.29 -38.36 80.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.389 179.695 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 582' ' ' ASP . . . . . 0.408 ' O ' ' HG3' ' A' ' 586' ' ' ARG . 85.1 m-20 -52.84 -35.08 56.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.281 -179.981 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 583' ' ' GLU . . . . . 0.553 ' O ' ' HB3' ' A' ' 587' ' ' HIS . 4.8 tp10 -55.22 -56.14 23.36 Favored 'General case' 0 CA--C 1.509 -0.622 0 CA-C-O 120.998 0.428 . . . . 0.0 110.928 179.917 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 584' ' ' LEU . . . . . 0.422 ' CD2' ' N ' ' A' ' 569' ' ' CYS . 18.8 mt -55.7 -33.77 64.48 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.706 -179.2 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 585' ' ' GLN . . . . . 0.46 ' O ' ' CG ' ' A' ' 588' ' ' LYS . 0.1 OUTLIER -64.78 -56.35 14.12 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.0 0.428 . . . . 0.0 109.902 179.803 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 586' ' ' ARG . . . . . 0.557 ' O ' ' HB2' ' A' ' 589' ' ' ARG . 24.9 mtm180 -73.5 -38.24 65.44 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.938 -0.574 . . . . 0.0 112.526 179.782 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 587' ' ' HIS . . . . . 0.553 ' HB3' ' O ' ' A' ' 583' ' ' GLU . 0.1 OUTLIER -64.62 -36.77 85.32 Favored 'General case' 0 CA--C 1.518 -0.276 0 C-N-CA 120.299 -0.56 . . . . 0.0 109.762 -179.11 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 588' ' ' LYS . . . . . 0.468 ' HG3' ' N ' ' A' ' 589' ' ' ARG . 0.6 OUTLIER -62.82 -30.59 71.6 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 178.662 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 589' ' ' ARG . . . . . 0.557 ' HB2' ' O ' ' A' ' 586' ' ' ARG . 31.2 mmt180 -50.25 -29.39 9.45 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.214 -0.903 . . . . 0.0 110.866 179.478 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 590' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -113.48 28.97 8.35 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.948 -179.672 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 591' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.909 -179.904 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 566' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo . . . . . 0 C--O 1.232 0.182 0 CA-C-O 120.851 0.271 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 567' ' ' PHE . . . . . 0.435 ' CD1' ' HB3' ' A' ' 581' ' ' SER . 79.0 m-85 -129.23 131.48 47.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.702 179.752 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 568' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -147.35 129.22 15.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.198 -179.817 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 569' ' ' CYS . . . . . 0.422 ' HB2' ' CE3' ' A' ' 571' ' ' TRP . 7.7 p -63.25 150.89 42.01 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 179.187 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 40.4 p -89.08 24.45 2.12 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 -179.028 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 571' ' ' TRP . . . . . 0.452 ' CZ2' ' HB2' ' A' ' 588' ' ' LYS . 7.9 m-90 -101.07 98.23 8.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.78 0.324 . . . . 0.0 110.738 179.386 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 67.0 m -50.24 -46.19 54.58 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.029 -179.851 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 573' ' ' TYR . . . . . . . . . . . . . 31.5 t80 -62.58 -18.27 61.78 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.066 179.806 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 574' ' ' CYS . . . . . 0.476 ' HB2' ' CE1' ' A' ' 591' ' ' HIS . 33.7 t -82.49 -50.38 8.9 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.221 -179.827 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . 47.79 70.02 0.81 Allowed Glycine 0 C--N 1.331 0.277 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.461 -179.71 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 576' ' ' LYS . . . . . 0.409 ' HE2' ' CE2' ' A' ' 578' ' ' PHE . 6.4 tttp -156.24 133.02 10.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.871 0.367 . . . . 0.0 111.096 -179.666 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 15.3 mtt-85 -89.59 158.63 17.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.499 179.739 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 578' ' ' PHE . . . . . 0.444 ' CD2' ' HB3' ' A' ' 583' ' ' GLU . 53.2 m-85 -128.77 160.87 31.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.044 0.45 . . . . 0.0 111.462 -179.613 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 579' ' ' THR . . . . . . . . . . . . . 4.5 m -90.84 -21.41 21.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.578 179.472 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 580' ' ' ARG . . . . . . . . . . . . . 32.5 mmm180 -141.36 137.13 32.12 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.43 179.697 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 581' ' ' SER . . . . . 0.465 ' O ' ' NE2' ' A' ' 585' ' ' GLN . 0.1 OUTLIER -56.59 -38.62 72.27 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.101 -179.724 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 582' ' ' ASP . . . . . 0.42 ' HA ' ' NE2' ' A' ' 585' ' ' GLN . 10.2 m-20 -52.64 -35.36 54.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.781 -179.539 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 583' ' ' GLU . . . . . 0.544 ' O ' ' HB3' ' A' ' 587' ' ' HIS . 4.5 tp10 -56.95 -55.95 27.96 Favored 'General case' 0 CA--C 1.509 -0.623 0 CA-C-O 121.056 0.455 . . . . 0.0 111.187 -179.84 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 584' ' ' LEU . . . . . 0.537 ' O ' ' HB3' ' A' ' 588' ' ' LYS . 0.7 OUTLIER -56.35 -32.68 64.93 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.341 -178.905 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 585' ' ' GLN . . . . . 0.465 ' NE2' ' O ' ' A' ' 581' ' ' SER . 0.0 OUTLIER -62.76 -56.82 14.06 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 179.294 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 586' ' ' ARG . . . . . 0.603 ' O ' ' HD2' ' A' ' 589' ' ' ARG . 0.0 OUTLIER -73.39 -41.7 63.03 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.949 -0.569 . . . . 0.0 112.458 179.474 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 587' ' ' HIS . . . . . 0.544 ' HB3' ' O ' ' A' ' 583' ' ' GLU . 0.0 OUTLIER -58.82 -26.09 63.8 Favored 'General case' 0 C--N 1.333 -0.142 0 C-N-CA 120.646 -0.422 . . . . 0.0 110.114 -179.522 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 588' ' ' LYS . . . . . 0.537 ' HB3' ' O ' ' A' ' 584' ' ' LEU . 6.3 pttt -65.28 -27.97 69.0 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.92 178.983 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 589' ' ' ARG . . . . . 0.603 ' HD2' ' O ' ' A' ' 586' ' ' ARG . 0.0 OUTLIER -45.36 -29.42 1.05 Allowed 'General case' 0 C--O 1.231 0.121 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.751 -179.545 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 590' ' ' THR . . . . . 0.428 ' N ' ' CD ' ' A' ' 589' ' ' ARG . 9.5 t -113.22 37.18 3.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.804 179.705 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 591' ' ' HIS . . . . . 0.476 ' CE1' ' HB2' ' A' ' 574' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.868 -179.967 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 566' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_endo . . . . . 0 N--CA 1.464 -0.219 0 N-CA-C 112.937 0.322 . . . . 0.0 112.937 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 567' ' ' PHE . . . . . . . . . . . . . 32.3 m-85 -129.31 105.58 8.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.731 179.733 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 568' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -147.45 125.71 12.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.022 -179.944 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 569' ' ' CYS . . . . . 0.408 ' N ' ' CD2' ' A' ' 584' ' ' LEU . 0.1 OUTLIER -60.69 125.28 23.12 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 179.522 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 31.9 p -93.77 34.9 1.17 Allowed 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 111.965 0.358 . . . . 0.0 111.965 -178.812 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 571' ' ' TRP . . . . . 0.467 ' CZ2' ' HB2' ' A' ' 588' ' ' LYS . 1.2 m-90 -60.33 171.87 0.97 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.849 0.357 . . . . 0.0 111.072 179.732 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 87.6 p -53.45 -46.95 70.08 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.306 -179.714 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 573' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -161.94 75.35 0.46 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.003 0.43 . . . . 0.0 110.917 179.967 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 574' ' ' CYS . . . . . . . . . . . . . 40.4 t -101.45 -49.1 4.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.711 179.857 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . 62.62 64.33 3.94 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.444 179.981 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 576' ' ' LYS . . . . . . . . . . . . . 33.6 mttt -158.02 121.13 3.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.807 0.337 . . . . 0.0 110.909 179.902 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 7.8 mtp85 -89.55 163.47 15.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 179.901 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 578' ' ' PHE . . . . . 0.437 ' CD2' ' HB3' ' A' ' 583' ' ' GLU . 75.6 m-85 -139.75 163.71 31.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.31 -179.528 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 579' ' ' THR . . . . . . . . . . . . . 68.6 m -100.6 -16.07 17.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.269 179.944 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 580' ' ' ARG . . . . . . . . . . . . . 1.1 mtt85 -147.4 142.53 27.14 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-O 120.81 0.338 . . . . 0.0 110.947 -179.966 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 581' ' ' SER . . . . . . . . . . . . . 1.4 m -58.76 -24.87 62.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.94 179.813 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -58.86 -43.46 90.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.094 -179.917 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 583' ' ' GLU . . . . . 0.45 ' O ' ' HB3' ' A' ' 587' ' ' HIS . 3.3 tp10 -55.11 -49.0 72.84 Favored 'General case' 0 CA--C 1.509 -0.62 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.893 179.85 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 584' ' ' LEU . . . . . 0.478 ' O ' ' HB3' ' A' ' 588' ' ' LYS . 2.6 mt -53.82 -32.72 53.78 Favored 'General case' 0 C--N 1.318 -0.761 0 C-N-CA 120.625 -0.43 . . . . 0.0 110.177 179.763 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 585' ' ' GLN . . . . . 0.707 ' HG2' ' N ' ' A' ' 586' ' ' ARG . 0.0 OUTLIER -64.18 -56.06 17.42 Favored 'General case' 0 N--CA 1.449 -0.517 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 178.828 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 586' ' ' ARG . . . . . 0.707 ' N ' ' HG2' ' A' ' 585' ' ' GLN . 0.1 OUTLIER -73.57 -41.25 63.17 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.59 -0.732 . . . . 0.0 112.37 179.842 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 587' ' ' HIS . . . . . 0.45 ' HB3' ' O ' ' A' ' 583' ' ' GLU . 0.1 OUTLIER -63.7 -48.19 78.13 Favored 'General case' 0 CA--C 1.519 -0.222 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 -179.279 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 588' ' ' LYS . . . . . 0.491 ' HG2' ' O ' ' A' ' 585' ' ' GLN . 10.6 pttt -57.54 -31.75 66.41 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 178.378 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 589' ' ' ARG . . . . . 0.421 ' CB ' ' O ' ' A' ' 586' ' ' ARG . 0.0 OUTLIER -48.76 -29.32 4.38 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 114.837 -1.074 . . . . 0.0 110.842 179.413 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 590' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -114.58 26.18 10.41 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.852 179.95 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 591' ' ' HIS . . . . . 0.449 ' HB2' ' HA ' ' A' ' 588' ' ' LYS . 1.2 t-80 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.891 -179.895 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 566' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.834 0.264 . . . . 0.0 112.333 . . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 567' ' ' PHE . . . . . 0.418 ' CD1' HD23 ' A' ' 584' ' ' LEU . 0.2 OUTLIER -106.15 107.09 17.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.698 179.898 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 568' ' ' MET . . . . . 0.417 ' CB ' ' HA ' ' A' ' 577' ' ' ARG . 9.2 ptt? -112.02 134.04 53.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.028 -179.831 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 569' ' ' CYS . . . . . 0.448 ' HB2' ' CE3' ' A' ' 571' ' ' TRP . 0.5 OUTLIER -53.57 124.41 14.93 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.218 179.766 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 14.7 p -94.56 35.93 1.19 Allowed 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 112.122 0.415 . . . . 0.0 112.122 -178.557 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 571' ' ' TRP . . . . . 0.506 ' CD1' ' CE1' ' A' ' 591' ' ' HIS . 1.2 m-90 -61.47 173.79 0.86 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.725 0.298 . . . . 0.0 110.777 179.64 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 4.9 m -53.22 -46.94 69.31 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.193 -179.785 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 573' ' ' TYR . . . . . . . . . . . . . 13.0 p90 -166.64 76.05 0.18 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.6 179.85 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 574' ' ' CYS . . . . . 0.432 ' HB2' ' CE1' ' A' ' 591' ' ' HIS . 53.6 t -97.75 -50.3 4.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.103 -179.619 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . 74.03 52.88 7.47 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.663 -0.78 . . . . 0.0 112.402 -179.865 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 576' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -152.05 115.37 4.75 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.808 0.337 . . . . 0.0 110.803 179.887 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 577' ' ' ARG . . . . . 0.417 ' HA ' ' CB ' ' A' ' 568' ' ' MET . 25.8 mtp85 -94.42 154.99 17.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.132 -179.835 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 578' ' ' PHE . . . . . 0.459 ' CD1' ' HG2' ' A' ' 583' ' ' GLU . 5.4 m-85 -139.66 163.92 31.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.123 179.992 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 579' ' ' THR . . . . . . . . . . . . . 24.4 m -105.45 -7.45 18.71 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.58 -179.9 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 580' ' ' ARG . . . . . . . . . . . . . 3.8 mmt-85 -135.5 137.12 41.81 Favored 'General case' 0 N--CA 1.456 -0.147 0 CA-C-O 120.876 0.369 . . . . 0.0 111.01 -179.787 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 581' ' ' SER . . . . . . . . . . . . . 88.4 p -60.83 -34.16 74.15 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.543 179.76 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -54.19 -39.24 66.46 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.07 179.918 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 583' ' ' GLU . . . . . 0.507 ' O ' ' HB3' ' A' ' 587' ' ' HIS . 7.2 tp10 -55.29 -55.3 32.99 Favored 'General case' 0 CA--C 1.508 -0.639 0 CA-C-O 121.133 0.492 . . . . 0.0 110.677 179.557 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 584' ' ' LEU . . . . . 0.431 ' CD2' ' HA ' ' A' ' 569' ' ' CYS . 6.5 mp -54.31 -35.72 62.94 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.544 -179.073 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 585' ' ' GLN . . . . . 0.473 ' O ' ' HG2' ' A' ' 588' ' ' LYS . 23.8 mm-40 -62.27 -56.83 14.72 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 179.582 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 586' ' ' ARG . . . . . 0.567 ' O ' ' HB3' ' A' ' 589' ' ' ARG . 0.5 OUTLIER -73.73 -42.37 61.24 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 113.1 0.778 . . . . 0.0 113.1 179.953 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 587' ' ' HIS . . . . . 0.507 ' HB3' ' O ' ' A' ' 583' ' ' GLU . 0.0 OUTLIER -57.43 -33.57 68.05 Favored 'General case' 0 CA--C 1.52 -0.19 0 C-N-CA 120.511 -0.476 . . . . 0.0 110.47 -178.174 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 588' ' ' LYS . . . . . 0.473 ' HG2' ' O ' ' A' ' 585' ' ' GLN . 0.3 OUTLIER -53.3 -27.36 22.56 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.047 178.838 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 589' ' ' ARG . . . . . 0.567 ' HB3' ' O ' ' A' ' 586' ' ' ARG . 0.0 OUTLIER -44.96 -31.15 1.18 Allowed 'General case' 0 N--CA 1.462 0.149 0 CA-C-N 115.505 -0.771 . . . . 0.0 110.87 -179.097 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 590' ' ' THR . . . . . . . . . . . . . 14.9 t -107.97 34.9 3.34 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.901 179.919 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 591' ' ' HIS . . . . . 0.506 ' CE1' ' CD1' ' A' ' 571' ' ' TRP . 0.1 OUTLIER . . . . . 0 C--N 1.327 -0.383 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.839 -179.929 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 566' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo . . . . . 0 N--CA 1.463 -0.298 0 CA-C-O 120.737 0.224 . . . . 0.0 112.647 . . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 567' ' ' PHE . . . . . . . . . . . . . 58.4 m-85 -103.58 91.0 3.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.689 179.754 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 568' ' ' MET . . . . . 0.461 ' HB3' ' CG ' ' A' ' 577' ' ' ARG . 0.0 OUTLIER -119.36 145.49 46.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.322 -179.806 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 569' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -64.98 133.68 52.26 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 179.217 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 76.4 p -84.58 36.21 0.59 Allowed 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 113.245 0.832 . . . . 0.0 113.245 -177.807 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 571' ' ' TRP . . . . . 0.55 ' CZ2' ' HB2' ' A' ' 588' ' ' LYS . 0.5 OUTLIER -68.16 -177.3 0.84 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.818 0.342 . . . . 0.0 110.84 179.453 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 2.6 p -61.07 -45.17 95.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.868 179.95 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 573' ' ' TYR . . . . . . . . . . . . . 16.5 t80 -163.62 72.08 0.27 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.947 179.92 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 574' ' ' CYS . . . . . . . . . . . . . 15.4 t -91.67 -50.03 5.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.708 179.91 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . 66.23 12.52 58.28 Favored Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 120.931 -0.652 . . . . 0.0 113.103 179.69 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 576' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -95.41 101.17 12.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.815 0.34 . . . . 0.0 110.888 179.94 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 577' ' ' ARG . . . . . 0.461 ' CG ' ' HB3' ' A' ' 568' ' ' MET . 12.8 mtm105 -89.59 141.89 28.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.985 -179.926 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 578' ' ' PHE . . . . . 0.57 ' CD2' ' HB3' ' A' ' 583' ' ' GLU . 14.8 m-85 -128.39 163.89 23.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.036 -179.854 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 579' ' ' THR . . . . . . . . . . . . . 24.2 m -92.18 -6.37 50.78 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.529 -179.916 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 580' ' ' ARG . . . . . . . . . . . . . 3.0 mmm180 -142.02 137.15 30.91 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.809 0.338 . . . . 0.0 110.883 -179.777 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 581' ' ' SER . . . . . 0.461 ' O ' ' NE2' ' A' ' 585' ' ' GLN . 0.3 OUTLIER -57.46 -37.31 72.66 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.492 179.837 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 582' ' ' ASP . . . . . 0.414 ' HA ' ' NE2' ' A' ' 585' ' ' GLN . 0.8 OUTLIER -52.75 -35.73 56.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.438 179.995 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 583' ' ' GLU . . . . . 0.57 ' HB3' ' CD2' ' A' ' 578' ' ' PHE . 10.6 tp10 -55.58 -56.37 21.14 Favored 'General case' 0 CA--C 1.509 -0.613 0 CA-C-O 120.95 0.405 . . . . 0.0 111.205 -179.813 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 584' ' ' LEU . . . . . 0.417 ' CD2' ' HA ' ' A' ' 581' ' ' SER . 0.7 OUTLIER -56.36 -33.0 65.25 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.14 -179.238 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 585' ' ' GLN . . . . . 0.461 ' NE2' ' O ' ' A' ' 581' ' ' SER . 0.0 OUTLIER -63.5 -55.25 25.54 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.084 0.468 . . . . 0.0 109.904 179.199 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 586' ' ' ARG . . . . . 0.441 ' HG3' ' N ' ' A' ' 587' ' ' HIS . 4.8 ptm180 -72.53 -39.74 67.31 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.81 -0.632 . . . . 0.0 112.022 179.826 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 587' ' ' HIS . . . . . 0.54 ' HB3' ' O ' ' A' ' 583' ' ' GLU . 0.0 OUTLIER -64.57 -47.24 79.47 Favored 'General case' 0 CA--C 1.52 -0.188 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 -179.886 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 588' ' ' LYS . . . . . 0.55 ' HB2' ' CZ2' ' A' ' 571' ' ' TRP . 0.0 OUTLIER -65.39 -30.68 71.52 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-O 121.445 0.64 . . . . 0.0 109.358 178.485 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 589' ' ' ARG . . . . . 0.453 ' N ' ' HG3' ' A' ' 588' ' ' LYS . 0.1 OUTLIER -46.65 -29.86 2.05 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.003 -0.999 . . . . 0.0 111.145 179.88 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 590' ' ' THR . . . . . . . . . . . . . 5.0 t -128.93 39.23 3.82 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.857 -179.909 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 591' ' ' HIS . . . . . 0.511 ' CD2' ' CE1' ' A' ' 587' ' ' HIS . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.67 -179.786 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 566' ' ' PRO . . . . . 0.413 ' HD2' ' CE2' ' A' ' 567' ' ' PHE . 87.8 Cg_endo . . . . . 0 N--CA 1.464 -0.218 0 N-CA-C 112.742 0.247 . . . . 0.0 112.742 . . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 567' ' ' PHE . . . . . 0.413 ' CE2' ' HD2' ' A' ' 566' ' ' PRO . 8.1 m-85 -129.39 104.7 7.64 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.645 179.795 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 568' ' ' MET . . . . . . . . . . . . . 23.9 ptt? -144.22 117.06 8.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.843 0.354 . . . . 0.0 111.233 -179.82 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 569' ' ' CYS . . . . . 0.551 ' O ' ' SG ' ' A' ' 569' ' ' CYS . 2.1 t -91.39 13.66 16.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.756 179.66 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 570' ' ' THR . . . . . 0.44 ' HA ' ' HB3' ' A' ' 574' ' ' CYS . 4.0 p -72.72 51.74 0.28 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.53 -0.305 . . . . 0.0 110.592 179.514 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 571' ' ' TRP . . . . . 0.487 ' NE1' ' HB2' ' A' ' 574' ' ' CYS . 0.0 OUTLIER -44.75 -98.97 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 111.778 0.288 . . . . 0.0 111.778 -179.519 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 34.1 t -90.88 -46.82 7.97 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-O 120.658 0.266 . . . . 0.0 111.134 -179.739 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 573' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -154.81 52.89 0.64 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.434 -179.736 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 574' ' ' CYS . . . . . 0.487 ' HB2' ' NE1' ' A' ' 571' ' ' TRP . 0.0 OUTLIER -90.55 -42.08 11.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.909 0.385 . . . . 0.0 110.157 179.494 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . 56.64 67.87 1.99 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.986 -0.626 . . . . 0.0 113.225 179.475 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 576' ' ' LYS . . . . . . . . . . . . . 2.4 mttp -169.39 114.16 0.54 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.844 0.354 . . . . 0.0 110.831 179.503 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 26.0 mtt-85 -89.37 163.47 15.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.509 179.945 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 578' ' ' PHE . . . . . 0.45 ' CE2' ' HG2' ' A' ' 583' ' ' GLU . 91.6 m-85 -148.39 160.55 42.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.066 0.46 . . . . 0.0 111.502 -179.596 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 579' ' ' THR . . . . . 0.413 ' O ' ' CE2' ' A' ' 567' ' ' PHE . 58.7 m -110.91 -11.68 14.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.095 179.821 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 580' ' ' ARG . . . . . . . . . . . . . 13.4 mmt-85 -128.23 137.13 51.88 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.851 0.358 . . . . 0.0 110.628 179.892 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 581' ' ' SER . . . . . . . . . . . . . 3.5 p -65.43 -30.08 70.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 -179.997 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.02 -35.63 81.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.269 -179.845 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 583' ' ' GLU . . . . . 0.452 ' O ' ' HB3' ' A' ' 587' ' ' HIS . 2.6 tt0 -55.25 -55.1 35.16 Favored 'General case' 0 CA--C 1.511 -0.543 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.169 -179.921 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 584' ' ' LEU . . . . . 0.435 ' O ' ' HB3' ' A' ' 588' ' ' LYS . 2.3 mp -54.4 -33.45 59.35 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.166 -179.463 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 585' ' ' GLN . . . . . 0.405 ' O ' ' HG3' ' A' ' 588' ' ' LYS . 21.7 mm-40 -62.24 -56.36 19.38 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.533 -0.467 . . . . 0.0 109.864 179.147 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 586' ' ' ARG . . . . . . . . . . . . . 2.7 ptp180 -72.86 -42.3 63.86 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.847 -0.615 . . . . 0.0 112.343 179.792 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 587' ' ' HIS . . . . . 0.452 ' HB3' ' O ' ' A' ' 583' ' ' GLU . 0.1 OUTLIER -62.91 -47.57 82.69 Favored 'General case' 0 CA--C 1.521 -0.156 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 -179.393 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 588' ' ' LYS . . . . . 0.442 ' HG3' ' N ' ' A' ' 589' ' ' ARG . 0.0 OUTLIER -61.7 -31.41 71.55 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 178.323 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 589' ' ' ARG . . . . . 0.442 ' N ' ' HG3' ' A' ' 588' ' ' LYS . 0.0 OUTLIER -48.12 -29.67 3.85 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 114.865 -1.061 . . . . 0.0 111.02 179.539 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 590' ' ' THR . . . . . . . . . . . . . 4.5 t -121.31 34.18 5.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.866 -179.983 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 591' ' ' HIS . . . . . 0.431 ' HB2' ' HA ' ' A' ' 588' ' ' LYS . 1.8 t-80 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.929 -179.895 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 566' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo . . . . . 0 N--CA 1.462 -0.355 0 CA-C-O 120.772 0.238 . . . . 0.0 112.571 . . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 567' ' ' PHE . . . . . 0.415 ' CE1' ' HB2' ' A' ' 581' ' ' SER . 61.7 m-85 -129.33 111.3 12.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.857 179.953 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 568' ' ' MET . . . . . . . . . . . . . 3.7 ptt? -147.38 111.16 5.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.192 -179.941 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 569' ' ' CYS . . . . . 0.502 ' HB2' ' CE2' ' A' ' 571' ' ' TRP . 0.5 OUTLIER -58.39 131.97 52.27 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.238 179.556 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 14.5 p -130.68 40.08 3.54 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 111.904 0.335 . . . . 0.0 111.904 -179.28 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 571' ' ' TRP . . . . . 0.614 ' CZ2' ' HB3' ' A' ' 588' ' ' LYS . 2.3 m95 -54.03 -99.86 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 120.918 -0.313 . . . . 0.0 110.92 179.85 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 572' ' ' SER . . . . . 0.439 ' H ' ' HB2' ' A' ' 571' ' ' TRP . 0.4 OUTLIER -102.24 -47.15 4.6 Favored 'General case' 0 C--O 1.231 0.09 0 CA-C-O 120.921 0.391 . . . . 0.0 111.0 179.793 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 573' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -179.2 79.83 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.736 -179.934 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 574' ' ' CYS . . . . . 0.443 ' HB3' ' SG ' ' A' ' 569' ' ' CYS . 34.8 t -101.48 -50.25 3.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.803 -179.907 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . 68.41 58.95 6.61 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.558 -179.95 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 576' ' ' LYS . . . . . . . . . . . . . 4.3 mtpp -154.36 124.81 6.96 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.913 0.387 . . . . 0.0 111.019 179.852 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 60.3 mtt-85 -89.56 163.43 15.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.82 179.961 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 578' ' ' PHE . . . . . 0.491 ' CD2' ' HB3' ' A' ' 583' ' ' GLU . 1.8 m-85 -138.48 163.98 30.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.13 -179.945 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 579' ' ' THR . . . . . . . . . . . . . 4.1 m -99.14 -7.94 25.9 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.629 -179.748 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 580' ' ' ARG . . . . . . . . . . . . . 3.0 mmt180 -146.72 137.12 23.73 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.854 0.359 . . . . 0.0 111.133 -179.82 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 581' ' ' SER . . . . . 0.415 ' HB2' ' CE1' ' A' ' 567' ' ' PHE . 0.2 OUTLIER -59.67 -31.68 69.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.546 179.737 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -56.12 -37.56 69.6 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.912 179.879 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 583' ' ' GLU . . . . . 0.566 ' O ' ' HB3' ' A' ' 587' ' ' HIS . 3.1 tt0 -55.41 -55.29 33.32 Favored 'General case' 0 CA--C 1.509 -0.633 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.82 179.625 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 584' ' ' LEU . . . . . 0.564 ' O ' ' HB3' ' A' ' 588' ' ' LYS . 0.4 OUTLIER -54.41 -33.12 58.76 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.475 -179.47 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 585' ' ' GLN . . . . . . . . . . . . . 24.9 mm-40 -65.11 -56.87 10.47 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.408 -0.517 . . . . 0.0 109.956 179.59 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 586' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.25 -37.98 66.15 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.728 -0.669 . . . . 0.0 112.717 179.924 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 587' ' ' HIS . . . . . 0.566 ' HB3' ' O ' ' A' ' 583' ' ' GLU . 0.2 OUTLIER -67.3 -34.76 78.04 Favored 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 -179.424 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 588' ' ' LYS . . . . . 0.614 ' HB3' ' CZ2' ' A' ' 571' ' ' TRP . 0.0 OUTLIER -68.34 -31.33 70.66 Favored 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 108.52 -0.919 . . . . 0.0 108.52 177.553 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 589' ' ' ARG . . . . . 0.517 ' N ' ' HG3' ' A' ' 588' ' ' LYS . 0.0 OUTLIER -55.06 -28.54 53.13 Favored 'General case' 0 N--CA 1.456 -0.167 0 CA-C-N 114.593 -1.185 . . . . 0.0 111.186 179.835 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 590' ' ' THR . . . . . . . . . . . . . 7.1 t -128.69 35.89 4.3 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.146 -179.715 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 591' ' ' HIS . . . . . 0.424 ' NE2' ' CD1' ' A' ' 571' ' ' TRP . 4.5 t-80 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.507 179.73 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 566' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo . . . . . 0 N--CA 1.464 -0.264 0 N-CA-C 112.853 0.289 . . . . 0.0 112.853 . . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 567' ' ' PHE . . . . . . . . . . . . . 53.6 m-85 -129.35 90.98 3.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.475 -0.329 . . . . 0.0 110.824 179.801 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 568' ' ' MET . . . . . . . . . . . . . 1.5 ptp -136.08 133.13 37.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.959 -179.888 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 569' ' ' CYS . . . . . 0.43 ' N ' ' CD2' ' A' ' 584' ' ' LEU . 0.5 OUTLIER -61.53 132.92 54.92 Favored 'General case' 0 CA--C 1.532 0.277 0 N-CA-C 109.765 -0.457 . . . . 0.0 109.765 179.635 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 68.5 p -85.18 39.46 0.77 Allowed 'General case' 0 N--CA 1.464 0.241 0 N-CA-C 112.903 0.705 . . . . 0.0 112.903 -178.135 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 571' ' ' TRP . . . . . 0.492 ' CD1' ' CE1' ' A' ' 591' ' ' HIS . 0.8 OUTLIER -72.39 -176.92 2.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.906 0.384 . . . . 0.0 111.069 179.624 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 13.1 m -88.26 -34.38 17.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.191 -179.742 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 573' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -157.23 52.47 0.48 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.85 0.357 . . . . 0.0 111.356 -179.783 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 574' ' ' CYS . . . . . . . . . . . . . 47.9 t -86.3 -44.14 12.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.523 179.648 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . 56.43 54.71 34.05 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.653 179.831 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 576' ' ' LYS . . . . . 0.408 ' HD2' ' CZ ' ' A' ' 578' ' ' PHE . 0.7 OUTLIER -145.23 115.11 7.36 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-O 120.798 0.332 . . . . 0.0 110.976 179.865 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 3.3 mtt180 -89.46 163.63 15.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.548 179.844 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 578' ' ' PHE . . . . . 0.441 ' CD2' ' HB3' ' A' ' 583' ' ' GLU . 64.0 m-85 -139.6 163.77 31.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.131 0.491 . . . . 0.0 111.804 -179.174 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 579' ' ' THR . . . . . . . . . . . . . 60.8 m -108.32 -9.76 15.43 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.925 179.577 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 580' ' ' ARG . . . . . . . . . . . . . 15.9 mmm180 -146.0 137.13 24.63 Favored 'General case' 0 N--CA 1.456 -0.164 0 CA-C-O 120.786 0.327 . . . . 0.0 110.662 179.943 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 581' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.97 -30.19 63.89 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.891 -179.953 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -55.95 -40.51 73.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.339 -179.789 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 583' ' ' GLU . . . . . 0.467 ' O ' ' HB3' ' A' ' 587' ' ' HIS . 4.2 tp10 -55.35 -53.22 58.9 Favored 'General case' 0 CA--C 1.51 -0.592 0 CA-C-O 120.824 0.345 . . . . 0.0 111.028 179.916 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 584' ' ' LEU . . . . . 0.437 ' O ' ' HB3' ' A' ' 588' ' ' LYS . 0.7 OUTLIER -53.98 -32.97 55.71 Favored 'General case' 0 C--N 1.318 -0.773 0 C-N-CA 120.565 -0.454 . . . . 0.0 110.944 -179.463 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 585' ' ' GLN . . . . . 0.432 ' O ' ' HG2' ' A' ' 588' ' ' LYS . 20.7 mm-40 -65.15 -55.66 17.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.168 0.509 . . . . 0.0 109.816 178.863 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 586' ' ' ARG . . . . . 0.427 ' HA ' ' HB2' ' A' ' 589' ' ' ARG . 0.0 OUTLIER -72.74 -40.78 65.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.725 -0.67 . . . . 0.0 112.403 179.971 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 587' ' ' HIS . . . . . 0.53 ' CE1' ' CD2' ' A' ' 591' ' ' HIS . 0.1 OUTLIER -64.83 -45.42 86.23 Favored 'General case' 0 CA--C 1.521 -0.135 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 -179.567 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 588' ' ' LYS . . . . . 0.483 ' HB2' ' CZ2' ' A' ' 571' ' ' TRP . 13.9 ptmt -66.42 -32.04 73.17 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 178.123 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 589' ' ' ARG . . . . . 0.427 ' HB2' ' HA ' ' A' ' 586' ' ' ARG . 0.4 OUTLIER -46.54 -29.03 1.6 Allowed 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 114.885 -1.052 . . . . 0.0 111.221 179.834 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 590' ' ' THR . . . . . . . . . . . . . 4.5 t -130.14 44.51 2.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.707 -179.914 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 591' ' ' HIS . . . . . 0.685 ' CG ' ' O ' ' A' ' 591' ' ' HIS . 1.5 t60 . . . . . 0 CA--C 1.534 0.361 0 CA-C-O 121.298 0.57 . . . . 0.0 110.661 -179.477 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 566' ' ' PRO . . . . . . . . . . . . . 94.0 Cg_endo . . . . . 0 N--CA 1.461 -0.392 0 N-CA-C 112.795 0.267 . . . . 0.0 112.795 . . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' A' A ' 567' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -129.54 107.14 9.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.549 179.729 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 568' ' ' MET . . . . . . . . . . . . . 11.9 ptt? -147.45 104.79 3.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.857 0.361 . . . . 0.0 111.249 -179.839 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 569' ' ' CYS . . . . . 0.525 ' SG ' ' CE2' ' A' ' 571' ' ' TRP . 1.7 t -72.3 100.47 2.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.654 179.71 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 17.3 p -131.46 49.75 2.29 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.503 179.258 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 571' ' ' TRP . . . . . 0.525 ' CE2' ' SG ' ' A' ' 569' ' ' CYS . 3.2 m95 -40.15 -86.53 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 120.323 -0.551 . . . . 0.0 111.02 -179.217 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 572' ' ' SER . . . . . 0.401 ' H ' ' HB2' ' A' ' 571' ' ' TRP . 1.2 m -103.43 -47.14 4.37 Favored 'General case' 0 C--N 1.333 -0.11 0 CA-C-O 120.886 0.374 . . . . 0.0 110.975 179.811 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 573' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -163.88 60.47 0.16 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.003 -179.686 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 574' ' ' CYS . . . . . . . . . . . . . 22.9 t -84.51 -49.38 8.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.626 179.859 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . 63.01 67.0 2.25 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.444 -179.962 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 576' ' ' LYS . . . . . . . . . . . . . 4.0 tttt -166.63 122.54 1.2 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.865 0.364 . . . . 0.0 110.929 179.909 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 9.0 mtt180 -89.92 163.53 14.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.986 -179.914 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 578' ' ' PHE . . . . . 0.434 ' CD1' ' HG2' ' A' ' 583' ' ' GLU . 35.1 m-85 -138.33 163.48 31.73 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.904 -179.875 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 579' ' ' THR . . . . . . . . . . . . . 7.4 m -114.2 -9.87 12.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.306 179.924 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 580' ' ' ARG . . . . . . . . . . . . . 3.8 mmt85 -138.44 137.11 36.89 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.837 0.351 . . . . 0.0 110.943 -180.0 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 581' ' ' SER . . . . . . . . . . . . . 7.3 t -60.29 -39.02 85.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.76 179.799 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -53.92 -35.92 62.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.236 179.984 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 583' ' ' GLU . . . . . 0.591 ' O ' ' HB3' ' A' ' 587' ' ' HIS . 3.9 tp10 -55.52 -56.16 23.55 Favored 'General case' 0 CA--C 1.511 -0.539 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.107 179.998 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 584' ' ' LEU . . . . . 0.478 ' O ' ' HB3' ' A' ' 588' ' ' LYS . 2.4 mp -56.7 -33.2 66.24 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.321 -179.576 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 585' ' ' GLN . . . . . 0.499 ' O ' ' HG2' ' A' ' 588' ' ' LYS . 0.2 OUTLIER -61.4 -56.74 16.95 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.113 0.482 . . . . 0.0 110.034 179.398 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 586' ' ' ARG . . . . . . . . . . . . . 2.4 ptp180 -74.98 -40.67 60.59 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.906 -0.588 . . . . 0.0 112.172 179.65 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 587' ' ' HIS . . . . . 0.591 ' HB3' ' O ' ' A' ' 583' ' ' GLU . 0.9 OUTLIER -64.03 -44.7 91.74 Favored 'General case' 0 N--CA 1.456 -0.168 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 -179.23 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 588' ' ' LYS . . . . . 0.499 ' HG2' ' O ' ' A' ' 585' ' ' GLN . 44.5 pttt -61.95 -32.21 72.62 Favored 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 177.848 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 589' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -48.83 -27.15 2.82 Favored 'General case' 0 C--O 1.231 0.108 0 CA-C-N 114.656 -1.156 . . . . 0.0 111.431 179.797 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 590' ' ' THR . . . . . . . . . . . . . 3.7 t -124.75 44.08 2.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.976 -179.705 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 591' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.145 -179.959 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 565' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.525 0.203 . . . . 0.0 111.09 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 566' ' ' PRO . . . . . 0.417 ' HD2' ' CE2' ' A' ' 567' ' ' PHE . 93.6 Cg_endo -83.22 46.91 2.24 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.673 2.249 . . . . 0.0 112.834 -179.771 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 567' ' ' PHE . . . . . 0.417 ' CE2' ' HD2' ' A' ' 566' ' ' PRO . 12.5 m-85 -129.41 91.21 3.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.68 179.8 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 568' ' ' MET . . . . . . . . . . . . . 3.9 mtt -129.34 133.24 47.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.168 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 569' ' ' CYS . . . . . . . . . . . . . 7.4 p -66.81 146.13 54.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.111 179.478 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 77.6 p -73.13 -28.02 62.02 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.641 -179.182 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 571' ' ' TRP . . . . . 0.422 ' CE3' ' HD3' ' A' ' 588' ' ' LYS . 2.8 m-90 -56.39 103.83 0.12 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.818 0.342 . . . . 0.0 110.941 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 48.9 m -60.35 -46.27 90.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.905 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 573' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -59.29 -27.74 66.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 574' ' ' CYS . . . . . 0.443 ' HB2' ' CE1' ' A' ' 591' ' ' HIS . 49.5 t -59.07 -50.21 74.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.993 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . 53.71 59.85 9.16 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.406 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 576' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -155.44 126.66 7.17 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-O 120.873 0.368 . . . . 0.0 110.96 -179.826 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.51 163.57 15.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.739 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 578' ' ' PHE . . . . . 0.421 ' CD1' HD23 ' A' ' 584' ' ' LEU . 25.3 m-85 -134.27 163.76 28.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.17 -179.677 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 579' ' ' THR . . . . . . . . . . . . . 14.1 m -111.62 -15.65 13.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.303 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 580' ' ' ARG . . . . . . . . . . . . . 17.1 mmt180 -127.57 137.15 52.51 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.872 0.368 . . . . 0.0 110.789 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 581' ' ' SER . . . . . . . . . . . . . 94.2 p -62.97 -38.88 92.88 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.65 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -55.81 -36.84 67.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.456 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 583' ' ' GLU . . . . . 0.528 ' O ' ' HB3' ' A' ' 587' ' ' HIS . 3.0 tp10 -55.35 -55.42 31.75 Favored 'General case' 0 CA--C 1.511 -0.525 0 CA-C-O 120.884 0.373 . . . . 0.0 111.029 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 584' ' ' LEU . . . . . 0.493 ' O ' ' HB2' ' A' ' 588' ' ' LYS . 1.3 mt -56.39 -36.92 69.43 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.54 -179.446 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 585' ' ' GLN . . . . . . . . . . . . . 26.2 mm-40 -59.4 -56.36 23.01 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.06 0.457 . . . . 0.0 109.969 179.441 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 586' ' ' ARG . . . . . 0.477 ' HG3' ' N ' ' A' ' 587' ' ' HIS . 9.9 ptm180 -72.68 -42.21 64.53 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.658 -0.701 . . . . 0.0 112.46 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 587' ' ' HIS . . . . . 0.528 ' HB3' ' O ' ' A' ' 583' ' ' GLU . 0.1 OUTLIER -64.47 -50.39 67.67 Favored 'General case' 0 CA--C 1.522 -0.127 0 N-CA-C 109.735 -0.468 . . . . 0.0 109.735 -179.425 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 588' ' ' LYS . . . . . 0.493 ' HB2' ' O ' ' A' ' 584' ' ' LEU . 7.4 mttp -62.57 -28.41 69.86 Favored 'General case' 0 N--CA 1.454 -0.267 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 178.145 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 589' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.22 -27.48 2.47 Favored 'General case' 0 C--O 1.231 0.119 0 CA-C-N 115.295 -0.866 . . . . 0.0 111.348 179.764 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 590' ' ' THR . . . . . . . . . . . . . 9.8 t -127.34 23.87 6.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.494 -179.582 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 591' ' ' HIS . . . . . 0.443 ' CE1' ' HB2' ' A' ' 574' ' ' CYS . 0.3 OUTLIER -67.88 -29.19 68.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.779 0.323 . . . . 0.0 110.741 179.817 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 592' ' ' THR . . . . . . . . . . . . . 2.6 p -151.98 159.62 43.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.915 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 593' ' ' GLY . . . . . . . . . . . . . . . 59.25 -118.98 16.01 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.544 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 594' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -163.35 -44.68 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.859 0.361 . . . . 0.0 110.945 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 595' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.248 1.025 0 CA-C-O 118.217 -0.897 . . . . 0.0 110.898 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 565' ' ' ARG . . . . . 0.468 ' N ' ' HD2' ' A' ' 566' ' ' PRO . 13.4 ttt180 . . . . . 0 N--CA 1.49 1.529 0 N-CA-C 111.816 0.302 . . . . 0.0 111.816 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 566' ' ' PRO . . . . . 0.468 ' HD2' ' N ' ' A' ' 565' ' ' ARG . 56.6 Cg_endo -70.65 62.78 2.29 Favored 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 122.071 1.847 . . . . 0.0 112.442 -179.77 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 567' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -129.24 111.07 12.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.63 179.682 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 568' ' ' MET . . . . . . . . . . . . . 2.2 ttp -132.91 126.93 33.21 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.069 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 569' ' ' CYS . . . . . . . . . . . . . 8.5 p -62.26 146.52 50.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.254 179.598 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 36.7 p -73.09 -20.46 60.95 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.727 -179.257 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 571' ' ' TRP . . . . . 0.445 ' CE2' ' HB3' ' A' ' 591' ' ' HIS . 1.2 m-90 -56.48 152.24 11.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.792 0.33 . . . . 0.0 110.936 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -101.52 -32.51 10.35 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.612 -179.347 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 573' ' ' TYR . . . . . . . . . . . . . 50.6 p90 -94.82 26.67 3.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.727 0.299 . . . . 0.0 111.419 -179.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 574' ' ' CYS . . . . . 0.424 ' HB2' ' CE1' ' A' ' 591' ' ' HIS . 53.9 t -101.65 -50.23 3.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.839 0.352 . . . . 0.0 110.63 179.637 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . 51.96 52.63 34.13 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.966 -0.635 . . . . 0.0 112.781 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 576' ' ' LYS . . . . . . . . . . . . . 2.2 mtpp -145.98 129.66 17.08 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-O 120.84 0.352 . . . . 0.0 111.058 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 5.5 mtt85 -89.52 163.46 15.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.532 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 578' ' ' PHE . . . . . 0.455 ' CD1' ' CD2' ' A' ' 584' ' ' LEU . 49.8 m-85 -135.54 163.7 29.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.982 0.42 . . . . 0.0 111.303 -179.575 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 579' ' ' THR . . . . . . . . . . . . . 29.7 m -113.62 -15.55 12.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.154 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 580' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -129.23 137.08 50.89 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.779 0.323 . . . . 0.0 110.73 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 581' ' ' SER . . . . . 0.447 ' O ' ' NE2' ' A' ' 585' ' ' GLN . 0.0 OUTLIER -62.95 -43.95 97.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.8 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 582' ' ' ASP . . . . . 0.418 ' HA ' ' NE2' ' A' ' 585' ' ' GLN . 0.4 OUTLIER -52.63 -35.63 55.06 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.215 -179.804 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 583' ' ' GLU . . . . . 0.483 ' O ' ' HB3' ' A' ' 587' ' ' HIS . 3.1 tp10 -55.33 -55.33 32.78 Favored 'General case' 0 CA--C 1.511 -0.529 0 CA-C-O 120.904 0.383 . . . . 0.0 110.956 179.81 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 584' ' ' LEU . . . . . 0.497 ' O ' ' HB2' ' A' ' 588' ' ' LYS . 13.0 mt -55.68 -39.36 70.89 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.481 -179.391 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 585' ' ' GLN . . . . . 0.447 ' NE2' ' O ' ' A' ' 581' ' ' SER . 0.0 OUTLIER -56.59 -55.64 31.37 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.18 0.514 . . . . 0.0 109.844 179.562 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 586' ' ' ARG . . . . . 0.415 ' HA ' ' HB2' ' A' ' 589' ' ' ARG . 13.3 mtt180 -72.57 -45.83 57.32 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.543 -0.753 . . . . 0.0 112.223 179.77 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 587' ' ' HIS . . . . . 0.483 ' HB3' ' O ' ' A' ' 583' ' ' GLU . 0.1 OUTLIER -60.73 -50.53 73.1 Favored 'General case' 0 CA--C 1.521 -0.171 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 -179.506 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 588' ' ' LYS . . . . . 0.497 ' HB2' ' O ' ' A' ' 584' ' ' LEU . 4.1 mttp -60.73 -28.46 68.69 Favored 'General case' 0 N--CA 1.452 -0.325 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 178.007 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 589' ' ' ARG . . . . . 0.415 ' HB2' ' HA ' ' A' ' 586' ' ' ARG . 0.3 OUTLIER -55.22 -31.51 61.54 Favored 'General case' 0 N--CA 1.457 -0.118 0 CA-C-N 115.294 -0.866 . . . . 0.0 111.035 179.552 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 590' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -111.42 9.22 21.43 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.474 -179.789 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 591' ' ' HIS . . . . . 0.47 ' HB2' ' HA ' ' A' ' 588' ' ' LYS . 0.2 OUTLIER -63.75 -49.81 71.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.792 0.33 . . . . 0.0 110.927 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 592' ' ' THR . . . . . . . . . . . . . 24.2 p -80.32 -66.46 0.88 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.919 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 593' ' ' GLY . . . . . . . . . . . . . . . 135.32 134.41 3.36 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.538 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 594' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 62.29 -80.25 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.737 0.303 . . . . 0.0 111.024 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 595' ' ' LYS . . . . . . . . . . . . . 1.7 tttm . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.25 -0.881 . . . . 0.0 110.887 -179.987 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 565' ' ' ARG . . . . . 0.407 ' O ' ' HA ' ' A' ' 579' ' ' THR . 7.6 mtm-85 . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.76 0.314 . . . . 0.0 111.162 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 566' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo -65.06 103.72 0.52 Allowed 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 122.615 2.21 . . . . 0.0 112.551 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 567' ' ' PHE . . . . . 0.419 ' CE2' ' HB2' ' A' ' 581' ' ' SER . 8.1 m-85 -123.39 90.91 3.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.458 179.666 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 568' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -82.28 123.11 28.76 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.466 -179.448 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 569' ' ' CYS . . . . . 0.422 ' HA ' ' CD2' ' A' ' 584' ' ' LEU . 11.9 p -64.59 152.09 42.98 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 178.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 32.7 p -73.02 -18.6 61.32 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 111.814 0.301 . . . . 0.0 111.814 -178.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 571' ' ' TRP . . . . . 0.436 ' CZ3' ' HB2' ' A' ' 588' ' ' LYS . 2.7 m-90 -63.86 98.02 0.18 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.855 0.359 . . . . 0.0 110.658 179.568 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -53.99 -46.86 71.85 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.249 -179.768 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 573' ' ' TYR . . . . . . . . . . . . . 36.6 m-85 -55.7 -22.92 25.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.109 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 574' ' ' CYS . . . . . 0.437 ' HB2' ' CE1' ' A' ' 591' ' ' HIS . 37.1 t -79.3 -50.22 11.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.041 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . 52.41 27.57 25.7 Favored Glycine 0 C--N 1.331 0.284 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.524 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 576' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -102.92 160.19 14.83 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-O 120.891 0.377 . . . . 0.0 111.186 -179.638 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 3.0 mtm180 -114.24 163.49 15.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.542 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 578' ' ' PHE . . . . . 0.418 ' CG ' HD11 ' A' ' 584' ' ' LEU . 82.0 m-85 -141.58 163.69 32.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.977 0.418 . . . . 0.0 111.384 -179.745 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 579' ' ' THR . . . . . 0.407 ' HA ' ' O ' ' A' ' 565' ' ' ARG . 6.5 m -106.29 -11.45 16.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.15 179.804 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 580' ' ' ARG . . . . . . . . . . . . . 21.5 mmt85 -137.82 145.53 42.39 Favored 'General case' 0 N--CA 1.456 -0.152 0 CA-C-O 120.903 0.382 . . . . 0.0 110.923 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 581' ' ' SER . . . . . 0.426 ' O ' ' NE2' ' A' ' 585' ' ' GLN . 0.8 OUTLIER -68.49 -43.09 77.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.759 179.921 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 582' ' ' ASP . . . . . 0.421 ' HA ' ' NE2' ' A' ' 585' ' ' GLN . 0.8 OUTLIER -52.71 -34.86 54.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.149 -179.852 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 583' ' ' GLU . . . . . 0.517 ' O ' ' HB3' ' A' ' 587' ' ' HIS . 4.1 tp10 -55.76 -55.26 34.43 Favored 'General case' 0 CA--C 1.511 -0.533 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.822 179.68 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 584' ' ' LEU . . . . . 0.452 ' O ' ' CG ' ' A' ' 588' ' ' LYS . 7.4 mp -54.87 -39.46 68.69 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.358 -179.514 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 585' ' ' GLN . . . . . 0.426 ' NE2' ' O ' ' A' ' 581' ' ' SER . 0.0 OUTLIER -57.69 -56.24 24.46 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.195 0.522 . . . . 0.0 110.091 179.553 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 586' ' ' ARG . . . . . 0.41 ' HA ' ' HB2' ' A' ' 589' ' ' ARG . 2.0 mtm180 -72.57 -42.61 64.45 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.486 -0.779 . . . . 0.0 112.272 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 587' ' ' HIS . . . . . 0.517 ' HB3' ' O ' ' A' ' 583' ' ' GLU . 0.1 OUTLIER -64.23 -49.24 72.71 Favored 'General case' 0 CA--C 1.521 -0.17 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 -179.575 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 588' ' ' LYS . . . . . 0.452 ' CG ' ' O ' ' A' ' 584' ' ' LEU . 0.0 OUTLIER -62.23 -29.82 70.66 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 178.088 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 589' ' ' ARG . . . . . 0.436 ' N ' ' HG3' ' A' ' 588' ' ' LYS . 0.1 OUTLIER -49.14 -29.86 5.93 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-N 114.781 -1.099 . . . . 0.0 111.165 179.571 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 590' ' ' THR . . . . . . . . . . . . . 5.3 t -125.86 36.42 4.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.822 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 591' ' ' HIS . . . . . 0.437 ' CE1' ' HB2' ' A' ' 574' ' ' CYS . 0.3 OUTLIER -84.9 -39.95 17.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.899 -179.919 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 592' ' ' THR . . . . . . . . . . . . . 9.0 t -83.84 -44.46 14.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 593' ' ' GLY . . . . . . . . . . . . . . . 163.84 41.03 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.583 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 594' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 57.23 97.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.793 0.33 . . . . 0.0 110.978 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 595' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.228 -0.891 . . . . 0.0 110.863 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 565' ' ' ARG . . . . . 0.454 ' HB2' ' HD3' ' A' ' 566' ' ' PRO . 8.1 mtt-85 . . . . . 0 N--CA 1.489 1.499 0 N-CA-C 111.929 0.344 . . . . 0.0 111.929 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 566' ' ' PRO . . . . . 0.454 ' HD3' ' HB2' ' A' ' 565' ' ' ARG . 83.8 Cg_endo -81.66 49.73 3.27 Favored 'Trans proline' 0 C--N 1.349 0.572 0 C-N-CA 122.346 2.031 . . . . 0.0 112.899 -179.689 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 567' ' ' PHE . . . . . . . . . . . . . 45.2 m-85 -129.4 102.92 6.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.686 179.667 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 568' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -134.45 119.11 18.13 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.149 -179.873 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 569' ' ' CYS . . . . . . . . . . . . . 4.1 p -60.44 137.14 58.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.1 179.514 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 72.8 p -72.96 -13.06 61.17 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 111.877 0.325 . . . . 0.0 111.877 -178.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 571' ' ' TRP . . . . . 0.425 ' CE2' ' HB3' ' A' ' 591' ' ' HIS . 4.9 m-90 -65.06 101.89 0.57 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.818 0.342 . . . . 0.0 110.848 179.819 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -57.38 -46.87 82.94 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.047 -179.821 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 573' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -55.95 -23.49 32.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.974 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 574' ' ' CYS . . . . . 0.458 ' HB2' ' CE1' ' A' ' 591' ' ' HIS . 35.6 t -74.26 -50.27 19.72 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.048 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . 52.45 57.08 14.64 Favored Glycine 0 C--N 1.33 0.238 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.477 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 576' ' ' LYS . . . . . . . . . . . . . 15.0 mttp -145.4 147.79 32.64 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-O 120.865 0.364 . . . . 0.0 111.077 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 29.6 mtt180 -102.21 163.49 12.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.603 179.706 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 578' ' ' PHE . . . . . 0.402 ' CD1' HD23 ' A' ' 584' ' ' LEU . 27.6 m-85 -138.88 160.22 40.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.928 0.394 . . . . 0.0 111.285 -179.719 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 579' ' ' THR . . . . . . . . . . . . . 60.4 m -116.55 -7.89 11.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.154 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 580' ' ' ARG . . . . . 0.465 ' HD2' ' N ' ' A' ' 580' ' ' ARG . 2.9 mpt_? -128.77 136.96 51.26 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-O 120.73 0.3 . . . . 0.0 110.69 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 581' ' ' SER . . . . . 0.444 ' O ' ' NE2' ' A' ' 585' ' ' GLN . 10.0 t -64.86 -47.56 77.46 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.749 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -52.7 -33.29 47.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.255 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 583' ' ' GLU . . . . . 0.632 ' O ' ' HB3' ' A' ' 587' ' ' HIS . 3.4 tt0 -55.04 -55.51 30.11 Favored 'General case' 0 CA--C 1.512 -0.503 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.197 -179.821 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 584' ' ' LEU . . . . . 0.45 ' O ' ' HB2' ' A' ' 588' ' ' LYS . 1.7 mt -59.93 -35.13 74.25 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.636 -179.061 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 585' ' ' GLN . . . . . 0.444 ' NE2' ' O ' ' A' ' 581' ' ' SER . 0.1 OUTLIER -61.37 -56.52 19.41 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.519 -0.472 . . . . 0.0 109.953 179.724 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 586' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.84 -41.04 65.22 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.694 -0.685 . . . . 0.0 112.41 179.755 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 587' ' ' HIS . . . . . 0.632 ' HB3' ' O ' ' A' ' 583' ' ' GLU . 0.2 OUTLIER -65.25 -48.21 74.04 Favored 'General case' 0 C--O 1.231 0.114 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 -179.596 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 588' ' ' LYS . . . . . 0.45 ' HB2' ' O ' ' A' ' 584' ' ' LEU . 78.3 mttt -61.44 -28.67 69.43 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 108.933 -0.765 . . . . 0.0 108.933 178.104 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 589' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -49.23 -27.59 3.84 Favored 'General case' 0 N--CA 1.458 -0.074 0 CA-C-N 115.309 -0.86 . . . . 0.0 111.286 179.791 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 590' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -103.23 -17.98 15.1 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.26 -179.825 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 591' ' ' HIS . . . . . 0.458 ' CE1' ' HB2' ' A' ' 574' ' ' CYS . 0.1 OUTLIER -54.13 167.11 0.32 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.948 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 592' ' ' THR . . . . . . . . . . . . . 31.3 p -132.84 116.0 15.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.977 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 593' ' ' GLY . . . . . . . . . . . . . . . 162.92 -42.97 0.34 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.567 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 594' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -91.58 -66.26 0.94 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.811 0.338 . . . . 0.0 110.967 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 595' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.248 1.02 0 CA-C-O 118.274 -0.87 . . . . 0.0 110.915 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 565' ' ' ARG . . . . . . . . . . . . . 2.0 ptt180 . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.686 0.279 . . . . 0.0 111.149 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 566' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo -83.84 47.16 2.21 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.728 2.286 . . . . 0.0 112.597 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 567' ' ' PHE . . . . . 0.426 ' CE1' ' HB3' ' A' ' 581' ' ' SER . 23.7 m-85 -129.41 100.51 5.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.743 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 568' ' ' MET . . . . . . . . . . . . . 25.4 ttt -147.36 95.78 2.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.491 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 569' ' ' CYS . . . . . 0.41 ' SG ' ' CE3' ' A' ' 571' ' ' TRP . 27.5 t -77.17 81.2 3.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.176 179.381 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 24.0 p -73.28 -23.31 60.29 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.669 -179.392 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 571' ' ' TRP . . . . . 0.484 ' CZ3' ' HE2' ' A' ' 588' ' ' LYS . 0.3 OUTLIER 39.45 -162.74 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 120.754 0.312 . . . . 0.0 111.691 -179.848 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 75.5 m -73.05 -24.32 60.68 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.823 0.344 . . . . 0.0 110.628 179.529 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 573' ' ' TYR . . . . . . . . . . . . . 49.9 p90 -172.84 38.35 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.994 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 574' ' ' CYS . . . . . . . . . . . . . 33.9 t -78.49 -50.16 12.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.835 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . 56.4 79.93 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.441 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 576' ' ' LYS . . . . . . . . . . . . . 7.9 mttm -168.46 143.63 3.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.854 0.359 . . . . 0.0 110.814 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 2.6 mtt85 -109.13 159.19 17.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.89 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 578' ' ' PHE . . . . . 0.437 ' CD1' HD22 ' A' ' 584' ' ' LEU . 9.8 m-85 -136.61 163.66 30.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.159 -179.727 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 579' ' ' THR . . . . . . . . . . . . . 7.4 m -118.31 -8.38 10.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.267 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 580' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -131.21 137.09 48.78 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.811 0.339 . . . . 0.0 110.781 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 581' ' ' SER . . . . . 0.426 ' HB3' ' CE1' ' A' ' 567' ' ' PHE . 12.6 p -62.73 -41.63 99.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.813 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -54.04 -36.37 62.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.309 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 583' ' ' GLU . . . . . 0.58 ' O ' ' HB3' ' A' ' 587' ' ' HIS . 4.8 tt0 -55.24 -55.08 35.36 Favored 'General case' 0 CA--C 1.513 -0.46 0 CA-C-O 120.847 0.356 . . . . 0.0 111.071 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 584' ' ' LEU . . . . . 0.477 ' O ' ' HB2' ' A' ' 588' ' ' LYS . 5.3 mt -57.97 -35.3 70.98 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.717 -179.31 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 585' ' ' GLN . . . . . . . . . . . . . 26.1 mm-40 -62.18 -56.76 15.56 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 120.404 -0.518 . . . . 0.0 110.009 179.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 586' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.04 -39.44 65.93 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.909 0.707 . . . . 0.0 112.909 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 587' ' ' HIS . . . . . 0.58 ' HB3' ' O ' ' A' ' 583' ' ' GLU . 0.6 OUTLIER -67.75 -49.84 60.41 Favored 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 -179.389 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 588' ' ' LYS . . . . . 0.484 ' HE2' ' CZ3' ' A' ' 571' ' ' TRP . 93.9 mttt -60.74 -28.44 68.69 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 108.731 -0.841 . . . . 0.0 108.731 177.787 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 589' ' ' ARG . . . . . . . . . . . . . 2.9 tpt180 -50.28 -30.11 11.14 Favored 'General case' 0 C--O 1.231 0.081 0 CA-C-N 115.173 -0.921 . . . . 0.0 111.201 179.551 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 590' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -97.5 -21.25 17.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.267 -179.624 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 591' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -60.72 -33.16 72.48 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.883 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 592' ' ' THR . . . . . . . . . . . . . 73.8 p -90.16 152.48 21.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 593' ' ' GLY . . . . . . . . . . . . . . . -117.52 39.79 2.53 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.455 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 594' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -118.4 -42.0 2.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.816 0.341 . . . . 0.0 110.899 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 595' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.25 1.086 0 CA-C-O 118.224 -0.893 . . . . 0.0 110.808 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 565' ' ' ARG . . . . . . . . . . . . . 1.4 mpp_? . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.701 0.286 . . . . 0.0 111.242 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 566' ' ' PRO . . . . . 0.419 ' HD2' ' CE2' ' A' ' 567' ' ' PHE . 84.2 Cg_endo -81.7 50.28 3.45 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.663 2.242 . . . . 0.0 112.633 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 567' ' ' PHE . . . . . 0.419 ' CE2' ' HD2' ' A' ' 566' ' ' PRO . 18.8 m-85 -129.27 110.22 11.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.875 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 568' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -147.21 123.85 11.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.031 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 569' ' ' CYS . . . . . 0.458 ' N ' ' CD2' ' A' ' 584' ' ' LEU . 7.7 p -58.91 149.2 27.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.328 179.769 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 52.8 p -91.77 21.04 5.06 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 111.791 0.293 . . . . 0.0 111.791 -179.358 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 571' ' ' TRP . . . . . 0.451 ' CH2' ' HB2' ' A' ' 588' ' ' LYS . 4.7 m-90 -89.11 108.21 19.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.796 0.331 . . . . 0.0 110.807 179.644 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 31.5 t -54.13 -46.9 72.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.136 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 573' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -60.07 -24.45 64.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.887 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 574' ' ' CYS . . . . . 0.449 ' HB2' ' CE1' ' A' ' 591' ' ' HIS . 8.6 t -84.51 -50.4 7.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.997 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . 47.72 27.47 4.65 Favored Glycine 0 C--N 1.331 0.286 0 C-N-CA 120.919 -0.657 . . . . 0.0 112.936 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 576' ' ' LYS . . . . . . . . . . . . . 38.3 mttm -100.37 -179.87 4.24 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-O 120.933 0.397 . . . . 0.0 111.24 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 53.5 mtt180 -136.83 163.48 30.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.654 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 578' ' ' PHE . . . . . 0.446 ' CZ ' ' HG2' ' A' ' 583' ' ' GLU . 3.4 m-85 -144.6 164.07 32.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.024 0.44 . . . . 0.0 111.358 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 579' ' ' THR . . . . . . . . . . . . . 32.5 m -107.96 -6.83 16.41 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.258 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 580' ' ' ARG . . . . . . . . . . . . . 5.1 mmm180 -133.12 137.11 46.18 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.907 0.384 . . . . 0.0 110.987 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 581' ' ' SER . . . . . 0.41 ' HA ' ' CD1' ' A' ' 584' ' ' LEU . 5.5 p -62.74 -37.02 84.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.831 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -58.23 -34.92 70.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.419 -179.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 583' ' ' GLU . . . . . 0.604 ' O ' ' HB3' ' A' ' 587' ' ' HIS . 3.5 tt0 -55.18 -55.42 31.43 Favored 'General case' 0 CA--C 1.51 -0.588 0 CA-C-O 120.848 0.356 . . . . 0.0 110.95 -179.861 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 584' ' ' LEU . . . . . 0.496 ' O ' ' HG2' ' A' ' 588' ' ' LYS . 0.3 OUTLIER -57.01 -38.28 72.89 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.684 -179.154 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 585' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 -59.64 -56.4 22.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.13 0.49 . . . . 0.0 110.244 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 586' ' ' ARG . . . . . 0.418 ' O ' ' HB2' ' A' ' 589' ' ' ARG . 4.0 ptt180 -72.73 -41.02 65.64 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.678 -0.692 . . . . 0.0 112.467 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 587' ' ' HIS . . . . . 0.604 ' HB3' ' O ' ' A' ' 583' ' ' GLU . 0.2 OUTLIER -64.8 -42.29 95.15 Favored 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 109.419 -0.585 . . . . 0.0 109.419 -179.522 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 588' ' ' LYS . . . . . 0.496 ' HG2' ' O ' ' A' ' 584' ' ' LEU . 10.6 ptpt -63.97 -32.86 74.54 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 178.205 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 589' ' ' ARG . . . . . 0.423 ' N ' ' HG3' ' A' ' 588' ' ' LYS . 0.0 OUTLIER -48.4 -27.55 2.68 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-N 114.776 -1.102 . . . . 0.0 111.091 179.735 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 590' ' ' THR . . . . . . . . . . . . . 3.8 t -123.05 37.37 4.43 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.816 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 591' ' ' HIS . . . . . 0.449 ' CE1' ' HB2' ' A' ' 574' ' ' CYS . 0.2 OUTLIER -95.77 -66.99 0.87 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.835 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 592' ' ' THR . . . . . . . . . . . . . 72.2 p -129.7 153.7 47.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.875 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 593' ' ' GLY . . . . . . . . . . . . . . . 115.37 -96.54 0.76 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.489 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 594' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -116.71 -64.78 1.26 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.841 0.353 . . . . 0.0 110.918 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 595' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.2 -0.905 . . . . 0.0 110.851 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 565' ' ' ARG . . . . . 0.427 ' HB3' ' CD2' ' A' ' 567' ' ' PHE . 2.7 mmp_? . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.751 0.31 . . . . 0.0 111.193 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 566' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_endo -84.22 47.3 2.18 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.797 2.331 . . . . 0.0 112.635 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 567' ' ' PHE . . . . . 0.432 ' HB3' ' CD2' ' A' ' 584' ' ' LEU . 24.6 m-85 -129.4 110.19 11.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.802 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 568' ' ' MET . . . . . . . . . . . . . 7.0 ptt? -147.5 97.31 2.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.733 0.301 . . . . 0.0 111.468 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 569' ' ' CYS . . . . . 0.416 ' SG ' ' CE3' ' A' ' 571' ' ' TRP . 15.0 t -71.69 80.97 0.85 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.882 0.372 . . . . 0.0 110.136 179.341 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 70.2 p -73.27 -23.05 60.26 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.595 -179.504 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 571' ' ' TRP . . . . . 0.506 ' CZ2' ' HB2' ' A' ' 588' ' ' LYS . 0.2 OUTLIER 40.94 -163.15 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 120.788 0.328 . . . . 0.0 111.44 -179.842 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 1.7 m -71.8 -24.32 61.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.811 0.338 . . . . 0.0 110.7 179.509 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 573' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -172.33 38.78 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.896 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 574' ' ' CYS . . . . . 0.41 ' CB ' ' HB2' ' A' ' 571' ' ' TRP . 26.5 t -80.46 -50.09 10.54 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.908 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . 56.28 76.27 0.21 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.284 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 576' ' ' LYS . . . . . . . . . . . . . 7.7 tttm -164.93 147.35 8.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.777 0.323 . . . . 0.0 110.906 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 3.5 mtt180 -108.77 163.51 13.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.93 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 578' ' ' PHE . . . . . . . . . . . . . 45.8 m-85 -142.27 163.64 32.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.959 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 579' ' ' THR . . . . . . . . . . . . . 30.8 m -112.15 -9.08 13.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.378 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 580' ' ' ARG . . . . . . . . . . . . . 23.8 mmt85 -131.12 137.08 48.9 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.96 0.409 . . . . 0.0 111.01 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 581' ' ' SER . . . . . 0.418 ' O ' ' HG2' ' A' ' 585' ' ' GLN . 15.7 p -67.73 -22.44 65.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.083 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 582' ' ' ASP . . . . . 0.401 ' HA ' ' HG2' ' A' ' 585' ' ' GLN . 1.5 m-20 -75.24 -33.46 61.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.345 -179.62 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 583' ' ' GLU . . . . . 0.507 ' O ' ' HB3' ' A' ' 587' ' ' HIS . 2.5 tt0 -55.05 -55.59 29.26 Favored 'General case' 0 CA--C 1.51 -0.58 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.202 -179.618 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 584' ' ' LEU . . . . . 0.467 ' O ' ' HB3' ' A' ' 588' ' ' LYS . 0.0 OUTLIER -55.31 -33.17 63.07 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.217 -179.618 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 585' ' ' GLN . . . . . 0.436 ' O ' ' HG3' ' A' ' 588' ' ' LYS . 16.7 mm-40 -61.63 -56.9 14.81 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.49 -0.484 . . . . 0.0 110.026 179.384 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 586' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.41 -40.3 64.39 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.128 -0.487 . . . . 0.0 112.252 179.784 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 587' ' ' HIS . . . . . 0.507 ' HB3' ' O ' ' A' ' 583' ' ' GLU . 0.2 OUTLIER -64.64 -45.49 86.58 Favored 'General case' 0 C--N 1.332 -0.167 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 -179.608 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 588' ' ' LYS . . . . . 0.506 ' HB2' ' CZ2' ' A' ' 571' ' ' TRP . 0.0 OUTLIER -61.51 -31.16 71.15 Favored 'General case' 0 N--CA 1.455 -0.2 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 177.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 589' ' ' ARG . . . . . 0.467 ' N ' ' HG3' ' A' ' 588' ' ' LYS . 0.0 OUTLIER -51.29 -30.68 18.81 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 114.711 -1.132 . . . . 0.0 111.0 179.611 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 590' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -112.69 30.65 6.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.81 -179.838 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 591' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -99.22 -26.62 14.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.03 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 592' ' ' THR . . . . . . . . . . . . . 4.0 p 58.62 107.98 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.006 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 593' ' ' GLY . . . . . . . . . . . . . . . 150.79 -40.27 0.81 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.459 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 594' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -86.54 -31.31 21.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.841 0.353 . . . . 0.0 110.85 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 595' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.249 -0.882 . . . . 0.0 110.906 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 565' ' ' ARG . . . . . 0.429 ' HB3' ' CD2' ' A' ' 567' ' ' PHE . 0.2 OUTLIER . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.706 0.288 . . . . 0.0 111.155 . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 566' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -75.86 61.45 6.32 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.588 2.192 . . . . 0.0 112.58 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 567' ' ' PHE . . . . . 0.429 ' CD2' ' HB3' ' A' ' 565' ' ' ARG . 52.4 m-85 -125.9 121.51 33.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.885 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 568' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -147.2 140.18 25.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.911 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 569' ' ' CYS . . . . . 0.422 ' CA ' HD21 ' A' ' 584' ' ' LEU . 1.8 p -56.83 -170.45 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.518 179.75 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 66.6 p -129.81 0.02 4.83 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.223 0.453 . . . . 0.0 112.223 -179.478 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 571' ' ' TRP . . . . . 0.44 ' CZ2' ' HB3' ' A' ' 591' ' ' HIS . 0.8 OUTLIER -51.08 177.82 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.812 0.339 . . . . 0.0 111.219 -179.951 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -83.49 -46.95 11.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.606 -179.386 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 573' ' ' TYR . . . . . . . . . . . . . 18.0 t80 -135.21 70.45 1.44 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.898 0.38 . . . . 0.0 111.287 -179.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 574' ' ' CYS . . . . . . . . . . . . . 41.8 t -101.74 -50.32 3.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 179.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . 53.92 57.34 16.71 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.853 -0.689 . . . . 0.0 112.554 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 576' ' ' LYS . . . . . . . . . . . . . 66.9 tttt -152.34 107.65 3.28 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-O 120.826 0.346 . . . . 0.0 111.064 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 577' ' ' ARG . . . . . 0.409 ' O ' ' CD1' ' A' ' 578' ' ' PHE . 6.6 mtt-85 -92.41 158.63 15.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.738 179.823 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 578' ' ' PHE . . . . . 0.537 ' CD2' ' HB3' ' A' ' 583' ' ' GLU . 22.9 m-85 -135.75 164.1 28.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.029 0.443 . . . . 0.0 111.24 -179.86 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 579' ' ' THR . . . . . . . . . . . . . 16.5 m -97.4 -7.49 31.65 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.385 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 580' ' ' ARG . . . . . 0.423 ' HD2' ' N ' ' A' ' 580' ' ' ARG . 3.9 mpt_? -132.51 137.07 47.04 Favored 'General case' 0 N--CA 1.456 -0.143 0 CA-C-O 120.807 0.336 . . . . 0.0 111.03 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 581' ' ' SER . . . . . 0.401 ' OG ' ' CE1' ' A' ' 567' ' ' PHE . 0.5 OUTLIER -62.71 -33.81 75.88 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.454 179.683 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -56.29 -37.77 70.31 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.125 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 583' ' ' GLU . . . . . 0.537 ' HB3' ' CD2' ' A' ' 578' ' ' PHE . 4.6 tp10 -55.35 -55.63 29.39 Favored 'General case' 0 CA--C 1.508 -0.642 0 CA-C-O 121.028 0.442 . . . . 0.0 110.766 179.741 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 584' ' ' LEU . . . . . 0.449 HD23 ' CD2' ' A' ' 578' ' ' PHE . 83.2 mt -55.07 -34.9 64.0 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.774 -179.241 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 585' ' ' GLN . . . . . . . . . . . . . 25.6 mm-40 -63.12 -56.61 15.32 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.472 -0.491 . . . . 0.0 110.028 179.591 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 586' ' ' ARG . . . . . 0.499 ' O ' ' HB2' ' A' ' 589' ' ' ARG . 0.0 OUTLIER -72.83 -39.62 66.45 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.635 -0.711 . . . . 0.0 112.421 -179.929 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 587' ' ' HIS . . . . . 0.518 ' HB3' ' O ' ' A' ' 583' ' ' GLU . 0.0 OUTLIER -64.17 -36.89 85.54 Favored 'General case' 0 CA--C 1.518 -0.264 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 -179.813 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 588' ' ' LYS . . . . . 0.434 ' HB2' ' O ' ' A' ' 584' ' ' LEU . 29.4 mttt -68.49 -29.49 68.11 Favored 'General case' 0 N--CA 1.448 -0.538 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 177.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 589' ' ' ARG . . . . . 0.499 ' HB2' ' O ' ' A' ' 586' ' ' ARG . 18.6 mmt85 -65.08 -27.91 69.09 Favored 'General case' 0 N--CA 1.456 -0.138 0 CA-C-N 115.375 -0.83 . . . . 0.0 110.861 179.809 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 590' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -105.2 -5.27 20.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.249 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 591' ' ' HIS . . . . . 0.44 ' HB3' ' CZ2' ' A' ' 571' ' ' TRP . 0.2 OUTLIER -54.24 -53.77 49.06 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.779 0.323 . . . . 0.0 110.978 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 592' ' ' THR . . . . . . . . . . . . . 59.9 p -59.28 -67.33 0.38 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.956 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 593' ' ' GLY . . . . . . . . . . . . . . . 135.92 -30.39 2.75 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.462 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 594' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -73.47 -59.43 2.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.825 0.345 . . . . 0.0 110.83 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 595' ' ' LYS . . . . . . . . . . . . . 17.2 mttt . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.245 -0.883 . . . . 0.0 110.848 -179.984 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 565' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.487 1.425 0 CA-C-O 120.675 0.274 . . . . 0.0 111.1 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 566' ' ' PRO . . . . . 0.428 ' HD2' ' CE2' ' A' ' 567' ' ' PHE . 84.5 Cg_endo -81.7 47.63 2.59 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.72 2.28 . . . . 0.0 112.789 -179.781 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 567' ' ' PHE . . . . . 0.428 ' CE2' ' HD2' ' A' ' 566' ' ' PRO . 17.6 m-85 -129.46 90.88 3.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.676 179.687 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 568' ' ' MET . . . . . . . . . . . . . 5.9 ptt? -136.34 130.57 33.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.005 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 569' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -58.23 128.46 37.23 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.173 179.721 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 22.3 p -92.56 23.38 4.06 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 112.304 0.483 . . . . 0.0 112.304 -178.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 571' ' ' TRP . . . . . 0.48 ' CZ2' ' HB2' ' A' ' 588' ' ' LYS . 0.8 OUTLIER -52.45 176.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.809 0.337 . . . . 0.0 110.999 179.839 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 55.1 p -57.19 -46.88 82.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.031 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 573' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -167.42 83.51 0.22 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.81 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 574' ' ' CYS . . . . . . . . . . . . . 52.6 t -101.53 -50.23 3.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.916 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . 71.66 55.14 7.69 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.47 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 576' ' ' LYS . . . . . . . . . . . . . 4.7 mtmt -152.67 113.97 4.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.815 0.34 . . . . 0.0 110.883 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 577' ' ' ARG . . . . . 0.414 ' O ' ' CD1' ' A' ' 578' ' ' PHE . 29.5 mtt180 -89.54 159.21 17.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.854 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 578' ' ' PHE . . . . . 0.517 ' CD2' ' HB3' ' A' ' 583' ' ' GLU . 9.4 m-85 -141.73 164.04 31.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.147 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 579' ' ' THR . . . . . . . . . . . . . 60.0 m -104.07 -7.52 20.19 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.891 -179.462 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 580' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.68 146.13 32.08 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.947 0.403 . . . . 0.0 111.346 -179.652 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 581' ' ' SER . . . . . . . . . . . . . 3.6 m -62.49 -32.84 73.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.456 179.639 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.54 -38.5 63.86 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.894 179.774 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 583' ' ' GLU . . . . . 0.517 ' HB3' ' CD2' ' A' ' 578' ' ' PHE . 2.9 tp10 -55.3 -55.15 34.79 Favored 'General case' 0 CA--C 1.51 -0.593 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.647 179.488 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 584' ' ' LEU . . . . . 0.47 ' O ' ' HB3' ' A' ' 588' ' ' LYS . 6.0 mp -54.23 -37.0 64.12 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.426 -179.697 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 585' ' ' GLN . . . . . 0.407 ' O ' ' HG2' ' A' ' 588' ' ' LYS . 26.1 mm-40 -61.08 -56.38 21.59 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.182 0.515 . . . . 0.0 110.343 179.664 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 586' ' ' ARG . . . . . . . . . . . . . 1.2 mtm180 -72.83 -38.28 67.18 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.722 -0.672 . . . . 0.0 112.322 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 587' ' ' HIS . . . . . 0.496 ' HB3' ' O ' ' A' ' 583' ' ' GLU . 0.2 OUTLIER -67.83 -51.86 43.61 Favored 'General case' 0 N--CA 1.455 -0.214 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 -179.652 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 588' ' ' LYS . . . . . 0.48 ' HB2' ' CZ2' ' A' ' 571' ' ' TRP . 41.3 pttt -56.65 -29.98 62.84 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 178.265 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 589' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.97 -29.73 1.54 Allowed 'General case' 0 C--O 1.231 0.098 0 CA-C-N 114.853 -1.067 . . . . 0.0 110.858 179.523 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 590' ' ' THR . . . . . . . . . . . . . 8.7 t -124.32 42.07 3.34 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.667 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 591' ' ' HIS . . . . . 0.434 ' HB2' ' HA ' ' A' ' 588' ' ' LYS . 0.5 OUTLIER -95.94 24.97 5.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.124 -179.836 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 592' ' ' THR . . . . . . . . . . . . . 17.9 p 53.38 98.51 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.097 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 593' ' ' GLY . . . . . . . . . . . . . . . 161.64 -166.61 36.11 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.592 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 594' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -62.5 -74.82 0.08 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.832 0.348 . . . . 0.0 110.925 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 595' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.226 -0.892 . . . . 0.0 110.908 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 565' ' ' ARG . . . . . 0.427 ' N ' ' HD2' ' A' ' 566' ' ' PRO . 5.4 mtm180 . . . . . 0 N--CA 1.491 1.6 0 CA-C-O 120.585 0.231 . . . . 0.0 111.57 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 566' ' ' PRO . . . . . 0.427 ' HD2' ' N ' ' A' ' 565' ' ' ARG . 61.0 Cg_endo -73.28 61.3 4.12 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.392 2.061 . . . . 0.0 112.424 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 567' ' ' PHE . . . . . . . . . . . . . 77.2 m-85 -122.75 100.3 6.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.678 179.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 568' ' ' MET . . . . . . . . . . . . . 4.5 ttt -114.53 135.4 54.16 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.086 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 569' ' ' CYS . . . . . 0.413 ' HA ' ' CD2' ' A' ' 584' ' ' LEU . 11.4 p -59.27 140.82 55.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.151 179.605 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 35.4 p -73.47 -5.44 40.03 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.955 0.724 . . . . 0.0 112.955 -178.328 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 571' ' ' TRP . . . . . 0.506 ' CD1' ' CE1' ' A' ' 591' ' ' HIS . 0.6 OUTLIER -49.25 172.69 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 120.776 0.322 . . . . 0.0 111.204 -179.689 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -91.57 -47.06 7.61 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 112.057 0.391 . . . . 0.0 112.057 -178.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 573' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -132.71 66.4 1.56 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.811 0.338 . . . . 0.0 111.599 -179.366 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 574' ' ' CYS . . . . . . . . . . . . . 43.4 t -101.86 -50.36 3.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.663 179.457 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . 65.94 51.54 44.83 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.897 -0.668 . . . . 0.0 112.689 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 576' ' ' LYS . . . . . . . . . . . . . 10.9 mtpp -147.05 122.1 10.09 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-O 120.824 0.345 . . . . 0.0 111.035 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 11.6 mtt180 -89.49 163.55 15.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.738 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 578' ' ' PHE . . . . . 0.41 ' CE1' ' HB3' ' A' ' 569' ' ' CYS . 37.5 m-85 -139.65 163.76 31.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.969 0.414 . . . . 0.0 111.401 -179.386 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 579' ' ' THR . . . . . . . . . . . . . 28.6 m -113.68 -8.89 13.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.322 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 580' ' ' ARG . . . . . . . . . . . . . 57.6 mmm-85 -140.39 152.4 45.72 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.853 0.359 . . . . 0.0 110.894 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 581' ' ' SER . . . . . 0.417 ' HA ' ' CD1' ' A' ' 584' ' ' LEU . 2.7 p -72.59 -22.6 60.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.32 -179.849 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.12 -35.84 74.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.578 -179.456 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 583' ' ' GLU . . . . . 0.496 ' O ' ' HB3' ' A' ' 587' ' ' HIS . 4.7 tt0 -55.09 -54.96 36.52 Favored 'General case' 0 CA--C 1.511 -0.555 0 CA-C-O 120.806 0.336 . . . . 0.0 111.128 -179.766 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 584' ' ' LEU . . . . . 0.446 ' O ' ' HB3' ' A' ' 588' ' ' LYS . 1.1 mp -54.2 -32.93 57.0 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.272 -179.419 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 585' ' ' GLN . . . . . 0.405 ' O ' ' HG3' ' A' ' 588' ' ' LYS . 20.0 mm-40 -64.02 -56.64 13.6 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.471 -0.492 . . . . 0.0 109.91 179.176 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 586' ' ' ARG . . . . . 0.416 ' HG2' ' O ' ' A' ' 583' ' ' GLU . 0.6 OUTLIER -73.02 -40.52 65.09 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.88 -0.6 . . . . 0.0 112.392 179.777 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 587' ' ' HIS . . . . . 0.496 ' HB3' ' O ' ' A' ' 583' ' ' GLU . 0.1 OUTLIER -62.73 -49.33 75.47 Favored 'General case' 0 CA--C 1.52 -0.194 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 -179.685 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 588' ' ' LYS . . . . . 0.45 ' HG3' ' N ' ' A' ' 589' ' ' ARG . 0.0 OUTLIER -58.63 -30.36 67.22 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 178.203 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 589' ' ' ARG . . . . . 0.45 ' N ' ' HG3' ' A' ' 588' ' ' LYS . 0.0 OUTLIER -55.44 -33.53 63.67 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 114.779 -1.1 . . . . 0.0 110.593 179.239 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 590' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -113.86 24.27 12.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.855 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 591' ' ' HIS . . . . . 0.506 ' CE1' ' CD1' ' A' ' 571' ' ' TRP . 0.9 OUTLIER -72.8 -29.03 62.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.925 -179.889 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 592' ' ' THR . . . . . . . . . . . . . 2.8 t -147.73 159.63 43.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.859 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 593' ' ' GLY . . . . . . . . . . . . . . . -59.63 -67.91 1.94 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.493 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 594' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -98.16 126.1 43.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.842 0.353 . . . . 0.0 110.873 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 595' ' ' LYS . . . . . . . . . . . . . 8.8 tttp . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.233 -0.889 . . . . 0.0 110.901 -179.928 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 565' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 120.7 0.286 . . . . 0.0 111.261 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 566' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -82.6 47.61 2.52 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.768 2.312 . . . . 0.0 112.661 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 567' ' ' PHE . . . . . . . . . . . . . 34.0 m-85 -129.37 105.08 7.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.747 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 568' ' ' MET . . . . . . . . . . . . . 2.8 ptt? -143.08 125.04 15.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.138 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 569' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -57.05 128.55 37.52 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.001 179.628 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 25.2 p -90.28 17.45 7.15 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 112.703 0.631 . . . . 0.0 112.703 -178.336 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 571' ' ' TRP . . . . . 0.493 ' CZ2' ' HB2' ' A' ' 588' ' ' LYS . 0.8 OUTLIER -48.31 171.57 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.898 0.38 . . . . 0.0 111.426 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 11.2 m -54.73 -46.97 74.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.515 -179.556 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 573' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -164.38 82.01 0.4 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.93 0.395 . . . . 0.0 111.108 -179.795 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 574' ' ' CYS . . . . . . . . . . . . . 40.8 t -101.69 -50.21 3.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.649 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . 69.14 52.18 24.35 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.672 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 576' ' ' LYS . . . . . . . . . . . . . 4.3 mttt -149.77 122.36 8.57 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-O 120.824 0.345 . . . . 0.0 110.904 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -89.49 163.52 15.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.731 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 578' ' ' PHE . . . . . 0.421 ' CG ' HD13 ' A' ' 584' ' ' LEU . 51.4 m-85 -137.68 163.66 30.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.025 0.44 . . . . 0.0 111.428 -179.478 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 579' ' ' THR . . . . . . . . . . . . . 77.5 m -110.39 -14.34 14.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.064 179.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 580' ' ' ARG . . . . . . . . . . . . . 5.5 mtt180 -140.98 137.13 32.81 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.841 0.353 . . . . 0.0 110.658 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 581' ' ' SER . . . . . 0.477 ' O ' ' NE2' ' A' ' 585' ' ' GLN . 62.7 p -57.26 -36.95 71.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.026 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 582' ' ' ASP . . . . . 0.433 ' HA ' ' NE2' ' A' ' 585' ' ' GLN . 0.5 OUTLIER -52.57 -35.73 54.54 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.177 -179.742 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 583' ' ' GLU . . . . . 0.471 ' O ' ' HB3' ' A' ' 587' ' ' HIS . 2.8 tp10 -57.94 -55.16 38.56 Favored 'General case' 0 CA--C 1.51 -0.595 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.773 179.546 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 584' ' ' LEU . . . . . 0.45 ' O ' ' HB3' ' A' ' 588' ' ' LYS . 7.2 mp -54.27 -34.23 60.37 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.146 -179.708 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 585' ' ' GLN . . . . . 0.477 ' NE2' ' O ' ' A' ' 581' ' ' SER . 0.0 OUTLIER -61.47 -56.78 16.4 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.569 -0.452 . . . . 0.0 110.046 179.297 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 586' ' ' ARG . . . . . 0.489 ' HG3' ' N ' ' A' ' 587' ' ' HIS . 0.6 OUTLIER -73.12 -41.11 64.37 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.902 -0.59 . . . . 0.0 112.362 179.699 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 587' ' ' HIS . . . . . 0.489 ' N ' ' HG3' ' A' ' 586' ' ' ARG . 0.2 OUTLIER -63.59 -51.63 64.5 Favored 'General case' 0 CA--C 1.519 -0.222 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 -179.553 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 588' ' ' LYS . . . . . 0.493 ' HB2' ' CZ2' ' A' ' 571' ' ' TRP . 0.0 OUTLIER -58.1 -30.77 66.53 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 178.272 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 589' ' ' ARG . . . . . 0.41 ' N ' ' HG3' ' A' ' 588' ' ' LYS . 0.0 OUTLIER -51.68 -30.43 21.92 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 114.876 -1.056 . . . . 0.0 110.751 179.369 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 590' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -113.91 26.38 10.38 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.848 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 591' ' ' HIS . . . . . 0.443 ' HB2' ' HA ' ' A' ' 588' ' ' LYS . 0.3 OUTLIER -86.63 -49.03 7.81 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 -179.946 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 592' ' ' THR . . . . . . . . . . . . . 3.9 t -132.96 171.4 14.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.832 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 593' ' ' GLY . . . . . . . . . . . . . . . -85.76 60.88 4.61 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.479 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 594' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -168.62 131.33 1.38 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.832 0.348 . . . . 0.0 110.864 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 595' ' ' LYS . . . . . . . . . . . . . 1.4 pttt . . . . . 0 C--O 1.248 1.015 0 CA-C-O 118.206 -0.902 . . . . 0.0 110.899 179.982 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 565' ' ' ARG . . . . . 0.469 ' HB2' ' HD3' ' A' ' 566' ' ' PRO . 6.8 mtp180 . . . . . 0 N--CA 1.488 1.462 0 N-CA-C 111.994 0.368 . . . . 0.0 111.994 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 566' ' ' PRO . . . . . 0.469 ' HD3' ' HB2' ' A' ' 565' ' ' ARG . 93.0 Cg_endo -83.53 43.89 1.51 Allowed 'Trans proline' 0 C--N 1.349 0.603 0 C-N-CA 122.283 1.989 . . . . 0.0 113.004 -179.663 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 567' ' ' PHE . . . . . 0.401 ' CD1' ' HB3' ' A' ' 581' ' ' SER . 11.8 m-85 -129.58 103.69 7.02 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.393 179.443 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 568' ' ' MET . . . . . 0.408 ' HB3' ' O ' ' A' ' 576' ' ' LYS . 25.3 mtt -147.27 109.15 4.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.741 0.305 . . . . 0.0 111.611 -179.457 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 569' ' ' CYS . . . . . . . . . . . . . 17.5 t -68.88 110.23 4.29 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.244 179.331 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 6.6 p -86.16 -30.98 22.04 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.185 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 571' ' ' TRP . . . . . 0.447 ' CZ3' ' HE2' ' A' ' 588' ' ' LYS . 0.2 OUTLIER 39.94 -163.79 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.647 -179.941 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 35.8 p -63.15 -30.81 71.89 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.861 0.362 . . . . 0.0 110.678 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 573' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -171.64 35.04 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 574' ' ' CYS . . . . . . . . . . . . . 43.2 t -75.0 -50.32 16.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.636 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . 54.09 20.46 14.77 Favored Glycine 0 CA--C 1.519 0.293 0 C-N-CA 121.085 -0.578 . . . . 0.0 113.514 179.342 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 576' ' ' LYS . . . . . 0.408 ' O ' ' HB3' ' A' ' 568' ' ' MET . 12.3 mttt -80.63 -176.65 5.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 117.013 0.407 . . . . 0.0 110.655 179.785 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 73.3 mtt85 -153.42 155.08 35.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.716 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 578' ' ' PHE . . . . . 0.455 ' CD1' ' HG2' ' A' ' 583' ' ' GLU . 5.2 m-85 -148.99 163.8 36.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.99 0.424 . . . . 0.0 111.097 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 579' ' ' THR . . . . . . . . . . . . . 22.4 m -97.44 -8.09 30.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.503 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 580' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -140.58 137.08 33.44 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.872 0.368 . . . . 0.0 110.91 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 581' ' ' SER . . . . . 0.491 ' O ' ' NE2' ' A' ' 585' ' ' GLN . 0.3 OUTLIER -59.59 -35.45 74.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.816 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 582' ' ' ASP . . . . . 0.44 ' HA ' ' NE2' ' A' ' 585' ' ' GLN . 5.6 m-20 -52.48 -37.05 56.28 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.051 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 583' ' ' GLU . . . . . 0.518 ' O ' ' HB3' ' A' ' 587' ' ' HIS . 7.9 tp10 -57.36 -55.74 30.81 Favored 'General case' 0 CA--C 1.508 -0.64 0 CA-C-O 121.128 0.489 . . . . 0.0 110.573 179.35 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 584' ' ' LEU . . . . . 0.474 ' O ' ' HB2' ' A' ' 588' ' ' LYS . 6.4 mp -55.3 -36.47 66.22 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.603 -179.442 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 585' ' ' GLN . . . . . 0.491 ' NE2' ' O ' ' A' ' 581' ' ' SER . 0.0 OUTLIER -60.3 -56.79 17.16 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.549 -0.46 . . . . 0.0 110.136 179.867 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 586' ' ' ARG . . . . . 0.528 ' O ' ' HB2' ' A' ' 589' ' ' ARG . 30.9 mtp180 -72.87 -40.07 65.93 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.72 -0.673 . . . . 0.0 112.192 179.819 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 587' ' ' HIS . . . . . 0.518 ' HB3' ' O ' ' A' ' 583' ' ' GLU . 0.1 OUTLIER -65.57 -37.53 86.93 Favored 'General case' 0 N--CA 1.455 -0.221 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 -179.766 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 588' ' ' LYS . . . . . 0.474 ' HB2' ' O ' ' A' ' 584' ' ' LEU . 47.5 mttt -70.09 -30.36 67.56 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 108.52 -0.919 . . . . 0.0 108.52 177.384 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 589' ' ' ARG . . . . . 0.528 ' HB2' ' O ' ' A' ' 586' ' ' ARG . 15.9 mmt180 -60.86 -28.27 68.73 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 115.138 -0.937 . . . . 0.0 111.1 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 590' ' ' THR . . . . . . . . . . . . . 10.9 t -99.36 -17.23 18.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.084 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 591' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -55.08 -65.56 0.56 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.019 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 592' ' ' THR . . . . . . . . . . . . . 74.6 p -122.98 -176.4 3.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.944 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 593' ' ' GLY . . . . . . . . . . . . . . . -65.7 -98.86 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.513 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 594' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -63.72 147.88 50.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.852 0.358 . . . . 0.0 110.88 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 595' ' ' LYS . . . . . . . . . . . . . 1.5 tttt . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.251 -0.881 . . . . 0.0 110.884 -179.973 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 565' ' ' ARG . . . . . . . . . . . . . 38.6 ttm180 . . . . . 0 N--CA 1.488 1.431 0 CA-C-O 120.704 0.288 . . . . 0.0 111.212 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 566' ' ' PRO . . . . . 0.409 ' HD2' ' CE2' ' A' ' 567' ' ' PHE . 97.4 Cg_endo -84.34 47.78 2.29 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.777 2.318 . . . . 0.0 112.802 -179.737 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 567' ' ' PHE . . . . . 0.409 ' CE2' ' HD2' ' A' ' 566' ' ' PRO . 11.4 m-85 -129.34 96.21 4.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.825 0.345 . . . . 0.0 110.797 179.854 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 568' ' ' MET . . . . . . . . . . . . . 9.0 mtp -147.13 119.64 8.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.96 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 569' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -61.54 123.91 19.18 Favored 'General case' 0 CA--C 1.531 0.245 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 179.625 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 10.9 p -94.46 37.02 1.13 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.817 -178.743 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 571' ' ' TRP . . . . . 0.438 ' CZ2' ' HB2' ' A' ' 588' ' ' LYS . 1.2 m-90 -63.54 168.59 4.55 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.821 0.343 . . . . 0.0 111.008 179.854 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -51.03 -47.02 61.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.542 -179.388 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 573' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -162.47 75.39 0.43 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.919 0.39 . . . . 0.0 110.981 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 574' ' ' CYS . . . . . . . . . . . . . 44.5 t -101.18 -48.18 4.49 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.642 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . 63.28 59.17 9.3 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.619 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 576' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -152.07 121.79 6.97 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-O 120.861 0.362 . . . . 0.0 110.851 179.766 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 3.3 mtt180 -89.55 163.55 15.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.777 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 578' ' ' PHE . . . . . . . . . . . . . 47.0 m-85 -141.34 163.73 32.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.376 -179.536 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 579' ' ' THR . . . . . . . . . . . . . 16.8 m -113.35 -12.4 13.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.087 179.774 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 580' ' ' ARG . . . . . . . . . . . . . 9.6 mmm180 -139.25 137.17 35.69 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.796 0.331 . . . . 0.0 110.723 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 581' ' ' SER . . . . . . . . . . . . . 18.5 p -58.76 -31.66 68.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.022 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.2 -38.93 74.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.228 -179.798 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 583' ' ' GLU . . . . . 0.523 ' O ' ' HB3' ' A' ' 587' ' ' HIS . 6.0 tp10 -55.32 -54.22 46.32 Favored 'General case' 0 CA--C 1.509 -0.622 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.904 179.797 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 584' ' ' LEU . . . . . 0.487 ' O ' ' HG2' ' A' ' 588' ' ' LYS . 6.8 mp -53.76 -33.32 55.42 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.235 -179.359 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 585' ' ' GLN . . . . . 0.403 ' O ' ' HG2' ' A' ' 588' ' ' LYS . 18.0 mm-40 -65.02 -56.47 12.9 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.07 0.462 . . . . 0.0 109.921 179.264 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 586' ' ' ARG . . . . . 0.406 ' O ' ' HB2' ' A' ' 589' ' ' ARG . 0.8 OUTLIER -72.96 -38.16 66.85 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.845 -0.616 . . . . 0.0 112.008 179.8 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 587' ' ' HIS . . . . . 0.523 ' HB3' ' O ' ' A' ' 583' ' ' GLU . 0.2 OUTLIER -65.5 -44.77 86.01 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 109.206 -0.664 . . . . 0.0 109.206 -179.68 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 588' ' ' LYS . . . . . 0.487 ' HG2' ' O ' ' A' ' 584' ' ' LEU . 0.3 OUTLIER -59.99 -32.03 70.47 Favored 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 178.371 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 589' ' ' ARG . . . . . 0.416 ' N ' ' HG3' ' A' ' 588' ' ' LYS . 0.3 OUTLIER -48.76 -27.47 2.97 Favored 'General case' 0 C--N 1.333 -0.112 0 CA-C-N 114.763 -1.108 . . . . 0.0 110.928 179.613 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 590' ' ' THR . . . . . . . . . . . . . 9.5 t -114.93 28.93 8.38 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.688 179.743 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 591' ' ' HIS . . . . . 0.436 ' HB2' ' HA ' ' A' ' 588' ' ' LYS . 0.5 OUTLIER -94.91 141.62 28.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.84 -179.93 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 592' ' ' THR . . . . . . . . . . . . . 11.3 p 55.32 61.64 2.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.075 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 593' ' ' GLY . . . . . . . . . . . . . . . 61.22 36.88 93.08 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.571 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 594' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 60.87 73.73 0.47 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.88 0.372 . . . . 0.0 110.917 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 595' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.199 -0.905 . . . . 0.0 110.989 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 565' ' ' ARG . . . . . . . . . . . . . 9.1 ttm180 . . . . . 0 N--CA 1.489 1.506 0 CA-C-O 120.735 0.302 . . . . 0.0 111.295 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 566' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -70.72 93.87 0.61 Allowed 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.62 2.213 . . . . 0.0 112.595 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 567' ' ' PHE . . . . . 0.46 ' CG ' ' CD2' ' A' ' 584' ' ' LEU . 0.4 OUTLIER -106.3 155.5 19.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.336 179.571 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 568' ' ' MET . . . . . . . . . . . . . 5.1 ttt -147.37 100.55 3.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.786 0.327 . . . . 0.0 111.747 -179.589 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 569' ' ' CYS . . . . . . . . . . . . . 15.3 t -71.27 86.85 0.81 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.321 -0.4 . . . . 0.0 109.934 179.078 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -73.17 -26.12 61.06 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.533 -179.299 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 571' ' ' TRP . . . . . 0.5 ' CZ2' ' HB2' ' A' ' 588' ' ' LYS . 0.2 OUTLIER 40.66 -163.83 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 120.804 0.335 . . . . 0.0 111.603 -179.829 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 70.4 m -70.47 -24.79 62.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.82 0.343 . . . . 0.0 110.556 179.511 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 573' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -171.71 42.81 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.943 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 574' ' ' CYS . . . . . . . . . . . . . 51.5 t -91.83 -50.2 5.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.837 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . 56.35 20.47 29.71 Favored Glycine 0 CA--C 1.519 0.289 0 C-N-CA 120.919 -0.658 . . . . 0.0 113.058 179.677 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 576' ' ' LYS . . . . . 0.42 ' HD3' ' CZ ' ' A' ' 578' ' ' PHE . 34.7 ttmt -88.04 144.61 26.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.799 0.333 . . . . 0.0 110.881 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 16.0 mtt180 -114.46 141.15 48.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.064 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 578' ' ' PHE . . . . . 0.45 ' CE2' ' HG2' ' A' ' 583' ' ' GLU . 4.2 m-85 -131.43 163.97 26.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.978 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 579' ' ' THR . . . . . . . . . . . . . 14.5 m -108.44 -6.16 16.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.58 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 580' ' ' ARG . . . . . . . . . . . . . 1.3 mmm-85 -133.62 143.72 48.79 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.874 0.368 . . . . 0.0 111.088 -179.682 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 581' ' ' SER . . . . . 0.47 ' HA ' ' CD2' ' A' ' 584' ' ' LEU . 24.4 m -64.54 -43.98 92.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.56 179.677 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 582' ' ' ASP . . . . . 0.417 ' HA ' ' NE2' ' A' ' 585' ' ' GLN . 0.6 OUTLIER -52.96 -33.84 52.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.756 -179.799 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 583' ' ' GLU . . . . . 0.611 ' O ' ' HB3' ' A' ' 587' ' ' HIS . 2.2 tt0 -55.26 -56.06 24.35 Favored 'General case' 0 CA--C 1.51 -0.576 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.56 -179.316 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 584' ' ' LEU . . . . . 0.492 ' O ' ' HB3' ' A' ' 588' ' ' LYS . 0.5 OUTLIER -62.49 -33.08 74.16 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.345 -179.206 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 585' ' ' GLN . . . . . 0.445 ' NE2' ' O ' ' A' ' 581' ' ' SER . 0.0 OUTLIER -58.77 -56.7 18.78 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.157 0.503 . . . . 0.0 109.831 179.288 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 586' ' ' ARG . . . . . 0.421 ' O ' ' CB ' ' A' ' 589' ' ' ARG . 38.7 ptt85 -73.33 -44.7 58.42 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.794 -0.639 . . . . 0.0 112.075 179.514 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 587' ' ' HIS . . . . . 0.611 ' HB3' ' O ' ' A' ' 583' ' ' GLU . 0.2 OUTLIER -60.32 -52.04 66.95 Favored 'General case' 0 CA--C 1.522 -0.126 0 N-CA-C 109.627 -0.509 . . . . 0.0 109.627 -179.716 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 588' ' ' LYS . . . . . 0.5 ' HB2' ' CZ2' ' A' ' 571' ' ' TRP . 47.6 pttt -56.37 -32.08 64.41 Favored 'General case' 0 N--CA 1.455 -0.186 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 178.255 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 589' ' ' ARG . . . . . 0.421 ' CB ' ' O ' ' A' ' 586' ' ' ARG . 1.1 tpt180 -52.98 -30.01 32.53 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-N 114.841 -1.072 . . . . 0.0 110.941 179.602 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 590' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -116.34 29.59 7.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.069 -179.699 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 591' ' ' HIS . . . . . 0.403 ' HB2' ' HA ' ' A' ' 588' ' ' LYS . 0.3 OUTLIER -89.39 123.51 33.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.896 -179.956 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 592' ' ' THR . . . . . . . . . . . . . 15.0 t 45.41 -167.72 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.361 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 593' ' ' GLY . . . . . . . . . . . . . . . -96.08 67.17 1.05 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.447 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 594' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -121.49 160.36 24.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.811 0.339 . . . . 0.0 110.864 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 595' ' ' LYS . . . . . . . . . . . . . 4.8 mtpm? . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.249 -0.882 . . . . 0.0 110.876 -179.991 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 565' ' ' ARG . . . . . 0.468 ' N ' ' HD2' ' A' ' 566' ' ' PRO . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 111.825 0.306 . . . . 0.0 111.825 . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 566' ' ' PRO . . . . . 0.468 ' HD2' ' N ' ' A' ' 565' ' ' ARG . 55.2 Cg_endo -70.78 62.98 2.38 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.193 1.929 . . . . 0.0 112.423 -179.724 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 567' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -129.23 94.09 3.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.717 179.742 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 568' ' ' MET . . . . . . . . . . . . . 2.2 ptt? -125.87 138.37 53.8 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.214 -179.708 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 569' ' ' CYS . . . . . 0.411 ' N ' ' CD2' ' A' ' 584' ' ' LEU . 0.4 OUTLIER -59.12 138.3 57.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.064 179.604 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 44.0 p -95.64 21.62 8.13 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 112.747 0.647 . . . . 0.0 112.747 -178.271 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 571' ' ' TRP . . . . . 0.443 ' CZ2' ' HB2' ' A' ' 588' ' ' LYS . 0.6 OUTLIER -52.25 -179.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.883 0.373 . . . . 0.0 111.201 179.864 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 82.9 p -59.77 -47.02 87.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.441 -179.637 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 573' ' ' TYR . . . . . . . . . . . . . 21.2 t80 -163.76 79.55 0.42 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.875 0.369 . . . . 0.0 111.09 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 574' ' ' CYS . . . . . . . . . . . . . 43.3 t -101.69 -50.16 3.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.85 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . 63.13 61.16 6.64 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.569 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 576' ' ' LYS . . . . . . . . . . . . . 8.4 mtpt -153.74 109.46 3.24 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-O 120.883 0.373 . . . . 0.0 110.969 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 5.8 mtm-85 -89.53 157.09 18.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.892 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 578' ' ' PHE . . . . . 0.51 ' CD2' ' HB3' ' A' ' 583' ' ' GLU . 7.5 m-85 -135.09 163.89 28.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.137 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 579' ' ' THR . . . . . . . . . . . . . 5.5 m -93.95 -7.86 41.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.727 -179.734 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 580' ' ' ARG . . . . . . . . . . . . . 51.9 mmm-85 -145.07 138.48 26.71 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.849 0.357 . . . . 0.0 111.091 -179.739 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 581' ' ' SER . . . . . 0.457 ' O ' ' NE2' ' A' ' 585' ' ' GLN . 1.2 m -58.35 -35.74 72.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.536 179.718 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 582' ' ' ASP . . . . . 0.414 ' HA ' ' NE2' ' A' ' 585' ' ' GLN . 5.0 m-20 -52.64 -33.53 47.23 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.78 179.785 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 583' ' ' GLU . . . . . 0.535 ' O ' ' HB3' ' A' ' 587' ' ' HIS . 4.5 tp10 -58.64 -55.71 31.51 Favored 'General case' 0 CA--C 1.509 -0.603 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.58 179.351 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 584' ' ' LEU . . . . . 0.443 ' O ' ' HB3' ' A' ' 588' ' ' LYS . 24.4 mt -57.15 -36.15 70.39 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.429 -179.436 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 585' ' ' GLN . . . . . 0.457 ' NE2' ' O ' ' A' ' 581' ' ' SER . 0.0 OUTLIER -59.6 -56.36 22.89 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.083 0.468 . . . . 0.0 109.909 179.278 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 586' ' ' ARG . . . . . . . . . . . . . 11.3 ptm180 -72.77 -43.22 63.12 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.781 -0.645 . . . . 0.0 112.394 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 587' ' ' HIS . . . . . 0.535 ' HB3' ' O ' ' A' ' 583' ' ' GLU . 0.1 OUTLIER -62.03 -53.13 59.85 Favored 'General case' 0 CA--C 1.52 -0.206 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 -179.541 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 588' ' ' LYS . . . . . 0.474 ' HA ' ' HB2' ' A' ' 591' ' ' HIS . 6.4 pttt -58.12 -29.89 65.86 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 108.944 -0.761 . . . . 0.0 108.944 178.271 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 589' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -53.02 -32.11 44.91 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 114.931 -1.032 . . . . 0.0 110.784 179.362 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 590' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -109.46 17.03 21.84 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.124 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 591' ' ' HIS . . . . . 0.474 ' HB2' ' HA ' ' A' ' 588' ' ' LYS . 0.1 OUTLIER -80.29 -65.06 1.05 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.859 0.361 . . . . 0.0 110.695 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 592' ' ' THR . . . . . . . . . . . . . 2.9 t -78.05 -31.53 50.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.715 179.771 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 593' ' ' GLY . . . . . . . . . . . . . . . -131.65 -158.12 8.98 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.392 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 594' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -147.75 108.58 4.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.813 0.34 . . . . 0.0 110.905 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 595' ' ' LYS . . . . . . . . . . . . . 3.7 tptt . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.217 -0.897 . . . . 0.0 110.877 179.91 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 565' ' ' ARG . . . . . 0.478 ' N ' ' HD2' ' A' ' 566' ' ' PRO . 2.6 tpp180 . . . . . 0 N--CA 1.489 1.479 0 N-CA-C 112.006 0.373 . . . . 0.0 112.006 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 566' ' ' PRO . . . . . 0.478 ' HD2' ' N ' ' A' ' 565' ' ' ARG . 45.2 Cg_endo -68.77 63.78 1.27 Allowed 'Trans proline' 0 C--N 1.348 0.542 0 C-N-CA 122.054 1.836 . . . . 0.0 112.481 -179.659 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 567' ' ' PHE . . . . . 0.414 ' CE1' ' OG ' ' A' ' 581' ' ' SER . 98.9 m-85 -129.25 118.95 23.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.661 179.706 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 568' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -135.22 124.46 24.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.059 -179.814 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 569' ' ' CYS . . . . . 0.418 ' HA ' ' CD2' ' A' ' 584' ' ' LEU . 13.4 p -50.91 157.43 0.82 Allowed 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.473 179.668 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 61.5 p -90.39 20.86 4.2 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.174 0.435 . . . . 0.0 112.174 -179.108 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 571' ' ' TRP . . . . . 0.51 ' CD2' ' CD2' ' A' ' 591' ' ' HIS . 7.9 m-90 -102.07 100.27 10.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.859 0.361 . . . . 0.0 110.568 179.457 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 55.5 p -55.07 -30.87 60.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.59 -179.453 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 573' ' ' TYR . . . . . . . . . . . . . 38.7 p90 -92.92 18.43 9.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.435 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 574' ' ' CYS . . . . . 0.45 ' HB2' ' CE1' ' A' ' 591' ' ' HIS . 53.8 t -101.77 -50.31 3.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.773 0.32 . . . . 0.0 110.917 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . 56.37 66.02 3.15 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.531 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 576' ' ' LYS . . . . . . . . . . . . . 9.9 ttmm -160.88 117.72 2.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.869 0.366 . . . . 0.0 111.028 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 8.2 mtt180 -89.74 163.5 15.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.84 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 578' ' ' PHE . . . . . 0.475 ' CD2' ' HB3' ' A' ' 583' ' ' GLU . 6.7 m-85 -137.51 164.2 29.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.966 0.412 . . . . 0.0 111.233 -179.849 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 579' ' ' THR . . . . . . . . . . . . . 30.2 m -98.95 -7.83 26.42 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.673 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 580' ' ' ARG . . . . . . . . . . . . . 24.3 mmt85 -146.22 154.53 41.84 Favored 'General case' 0 C--N 1.334 -0.108 0 CA-C-O 120.953 0.406 . . . . 0.0 111.251 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 581' ' ' SER . . . . . 0.457 ' O ' ' NE2' ' A' ' 585' ' ' GLN . 49.5 m -70.37 -35.83 73.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.919 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 582' ' ' ASP . . . . . 0.439 ' HA ' ' NE2' ' A' ' 585' ' ' GLN . 0.1 OUTLIER -52.49 -38.13 58.82 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.912 -179.742 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 583' ' ' GLU . . . . . 0.545 ' O ' ' HB3' ' A' ' 587' ' ' HIS . 2.9 tt0 -55.35 -55.48 31.01 Favored 'General case' 0 CA--C 1.511 -0.522 0 CA-C-O 121.102 0.477 . . . . 0.0 110.639 179.369 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 584' ' ' LEU . . . . . 0.418 ' CD2' ' HA ' ' A' ' 569' ' ' CYS . 5.6 mp -54.39 -36.14 63.6 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.639 -179.312 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 585' ' ' GLN . . . . . 0.457 ' NE2' ' O ' ' A' ' 581' ' ' SER . 0.0 OUTLIER -63.7 -56.89 12.24 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.641 -0.423 . . . . 0.0 110.23 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 586' ' ' ARG . . . . . 0.551 ' O ' ' HB2' ' A' ' 589' ' ' ARG . 3.4 mtt180 -73.41 -35.76 65.89 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 112.948 0.721 . . . . 0.0 112.948 -179.874 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 587' ' ' HIS . . . . . 0.545 ' HB3' ' O ' ' A' ' 583' ' ' GLU . 0.1 OUTLIER -68.6 -37.29 79.68 Favored 'General case' 0 CA--C 1.52 -0.196 0 C-N-CA 120.202 -0.599 . . . . 0.0 109.839 -178.953 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 588' ' ' LYS . . . . . 0.453 ' HG3' ' N ' ' A' ' 589' ' ' ARG . 0.4 OUTLIER -62.39 -28.76 70.0 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.327 0.584 . . . . 0.0 109.5 178.65 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 589' ' ' ARG . . . . . 0.551 ' HB2' ' O ' ' A' ' 586' ' ' ARG . 4.6 mmt180 -45.99 -28.92 1.27 Allowed 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 115.116 -0.947 . . . . 0.0 111.131 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 590' ' ' THR . . . . . . . . . . . . . 10.1 t -121.85 42.32 3.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.99 -179.783 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 591' ' ' HIS . . . . . 0.51 ' CD2' ' CD2' ' A' ' 571' ' ' TRP . 0.1 OUTLIER -105.98 -30.14 9.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.895 179.948 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 592' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -114.35 92.28 3.91 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.857 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 593' ' ' GLY . . . . . . . . . . . . . . . 81.68 177.57 51.86 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.548 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 594' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -90.67 106.36 18.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.846 0.355 . . . . 0.0 110.914 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 595' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.239 -0.886 . . . . 0.0 110.882 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 565' ' ' ARG . . . . . 0.406 ' N ' ' HD2' ' A' ' 566' ' ' PRO . 42.3 mtt85 . . . . . 0 N--CA 1.49 1.568 0 CA-C-O 120.594 0.235 . . . . 0.0 111.542 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 566' ' ' PRO . . . . . 0.406 ' HD2' ' N ' ' A' ' 565' ' ' ARG . 56.1 Cg_endo -70.05 59.99 1.81 Allowed 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.497 2.131 . . . . 0.0 112.742 -179.825 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 567' ' ' PHE . . . . . . . . . . . . . 83.0 m-85 -129.28 90.8 3.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.539 179.589 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 568' ' ' MET . . . . . . . . . . . . . 2.7 ptt? -131.33 135.89 47.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.926 0.393 . . . . 0.0 111.32 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 569' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -60.53 138.01 58.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.064 179.646 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 31.2 p -98.87 25.97 6.15 Favored 'General case' 0 N--CA 1.464 0.236 0 N-CA-C 112.388 0.514 . . . . 0.0 112.388 -178.575 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 571' ' ' TRP . . . . . 0.448 ' CZ2' ' HB2' ' A' ' 588' ' ' LYS . 0.6 OUTLIER -54.05 -176.3 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.902 0.382 . . . . 0.0 111.19 179.907 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 39.2 t -65.96 -46.89 76.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.31 -179.694 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 573' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -158.7 76.03 0.73 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.961 0.41 . . . . 0.0 111.158 -179.767 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 574' ' ' CYS . . . . . . . . . . . . . 41.5 t -101.71 -50.17 3.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.748 179.744 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . 59.6 60.45 8.73 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.479 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 576' ' ' LYS . . . . . . . . . . . . . 3.9 mttt -154.91 106.85 2.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.872 0.368 . . . . 0.0 111.022 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 14.7 mtt85 -89.5 159.34 17.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.708 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 578' ' ' PHE . . . . . 0.508 ' CD2' ' HB3' ' A' ' 583' ' ' GLU . 9.2 m-85 -134.09 163.71 28.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.928 0.394 . . . . 0.0 110.917 -179.879 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 579' ' ' THR . . . . . . . . . . . . . 12.2 m -95.17 -7.84 38.05 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.306 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 580' ' ' ARG . . . . . 0.446 ' HD2' ' N ' ' A' ' 580' ' ' ARG . 1.9 mpt_? -136.62 137.15 39.82 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-O 120.832 0.349 . . . . 0.0 110.905 -179.876 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 581' ' ' SER . . . . . 0.442 ' O ' ' NE2' ' A' ' 585' ' ' GLN . 0.3 OUTLIER -59.07 -40.01 83.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.01 0.433 . . . . 0.0 110.269 179.541 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -52.85 -34.12 52.87 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.381 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 583' ' ' GLU . . . . . 0.596 ' O ' ' HB3' ' A' ' 587' ' ' HIS . 8.4 tp10 -55.32 -56.28 21.87 Favored 'General case' 0 CA--C 1.508 -0.659 0 CA-C-O 120.887 0.375 . . . . 0.0 111.062 -179.842 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 584' ' ' LEU . . . . . 0.416 ' O ' ' HB3' ' A' ' 588' ' ' LYS . 0.6 OUTLIER -59.6 -33.22 71.2 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.749 -0.659 . . . . 0.0 111.11 -179.333 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 585' ' ' GLN . . . . . 0.466 ' O ' ' HG3' ' A' ' 588' ' ' LYS . 0.0 OUTLIER -61.19 -56.53 19.7 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.013 0.435 . . . . 0.0 109.999 179.209 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 586' ' ' ARG . . . . . 0.436 ' HG3' ' N ' ' A' ' 587' ' ' HIS . 12.3 ptt180 -72.99 -41.66 64.09 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.019 -0.537 . . . . 0.0 112.099 179.64 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 587' ' ' HIS . . . . . 0.596 ' HB3' ' O ' ' A' ' 583' ' ' GLU . 0.1 OUTLIER -62.45 -45.84 91.24 Favored 'General case' 0 CA--C 1.521 -0.166 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 -179.643 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 588' ' ' LYS . . . . . 0.485 ' HG3' ' N ' ' A' ' 589' ' ' ARG . 0.0 OUTLIER -61.3 -31.86 71.7 Favored 'General case' 0 N--CA 1.454 -0.274 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 178.312 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 589' ' ' ARG . . . . . 0.485 ' N ' ' HG3' ' A' ' 588' ' ' LYS . 0.3 OUTLIER -51.18 -28.77 11.99 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 114.751 -1.113 . . . . 0.0 111.077 179.8 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 590' ' ' THR . . . . . . . . . . . . . 10.0 t -124.47 32.3 5.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.781 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 591' ' ' HIS . . . . . 0.415 ' HB2' ' HA ' ' A' ' 588' ' ' LYS . 1.2 t-80 -78.47 -50.18 12.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.924 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 592' ' ' THR . . . . . . . . . . . . . 6.0 t -116.87 147.22 42.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 593' ' ' GLY . . . . . . . . . . . . . . . -71.72 161.21 54.22 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.511 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 594' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 60.45 85.11 0.11 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.863 0.363 . . . . 0.0 110.81 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 595' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.242 -0.885 . . . . 0.0 110.938 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 565' ' ' ARG . . . . . 0.427 ' N ' ' CD ' ' A' ' 566' ' ' PRO . 0.4 OUTLIER . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 111.794 0.294 . . . . 0.0 111.794 . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 566' ' ' PRO . . . . . 0.427 ' CD ' ' N ' ' A' ' 565' ' ' ARG . 18.2 Cg_exo -66.9 58.27 0.55 Allowed 'Trans proline' 0 C--N 1.348 0.518 0 C-N-CA 122.778 2.318 . . . . 0.0 112.991 -179.553 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 567' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -129.61 123.89 32.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.616 179.409 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 568' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -147.41 127.17 13.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.797 0.332 . . . . 0.0 111.141 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 569' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -61.31 142.69 56.69 Favored 'General case' 0 CA--C 1.532 0.252 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 179.567 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -96.83 10.15 39.75 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.794 0.664 . . . . 0.0 112.794 -178.304 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 571' ' ' TRP . . . . . 0.456 ' CZ2' ' HB2' ' A' ' 588' ' ' LYS . 0.9 OUTLIER -47.44 168.91 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.894 0.378 . . . . 0.0 111.571 -179.809 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 59.7 p -56.85 -47.04 81.3 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.808 -179.128 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 573' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -161.51 82.72 0.61 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.861 0.362 . . . . 0.0 111.36 -179.645 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 574' ' ' CYS . . . . . . . . . . . . . 40.9 t -101.71 -50.21 3.77 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.654 179.715 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . 68.7 51.82 28.34 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.571 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 576' ' ' LYS . . . . . . . . . . . . . 7.8 tttt -149.56 124.48 9.94 Favored 'General case' 0 N--CA 1.453 -0.275 0 CA-C-O 120.838 0.351 . . . . 0.0 110.951 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 11.9 mtt-85 -89.55 163.61 15.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.768 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 578' ' ' PHE . . . . . 0.4 ' CZ ' ' CD2' ' A' ' 587' ' ' HIS . 41.7 m-85 -138.08 163.7 30.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.39 -179.394 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 579' ' ' THR . . . . . . . . . . . . . 19.0 m -109.75 -17.67 13.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.048 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 580' ' ' ARG . . . . . . . . . . . . . 3.7 mmm180 -139.38 143.06 37.55 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.798 0.332 . . . . 0.0 110.74 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 581' ' ' SER . . . . . 0.47 ' O ' ' NE2' ' A' ' 585' ' ' GLN . 78.2 p -60.18 -36.97 78.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.828 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 582' ' ' ASP . . . . . 0.423 ' HA ' ' NE2' ' A' ' 585' ' ' GLN . 1.4 m-20 -52.54 -35.05 52.75 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.081 -179.757 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 583' ' ' GLU . . . . . 0.48 ' O ' ' HB3' ' A' ' 587' ' ' HIS . 4.9 tp10 -58.3 -55.03 40.2 Favored 'General case' 0 CA--C 1.51 -0.586 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.665 179.397 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 584' ' ' LEU . . . . . 0.436 ' O ' ' HB3' ' A' ' 588' ' ' LYS . 7.3 mp -54.15 -36.82 63.75 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.04 -179.617 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 585' ' ' GLN . . . . . 0.47 ' NE2' ' O ' ' A' ' 581' ' ' SER . 0.0 OUTLIER -60.06 -56.39 22.17 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.123 0.487 . . . . 0.0 109.886 179.204 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 586' ' ' ARG . . . . . . . . . . . . . 4.0 ptm180 -72.8 -42.65 63.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.671 -0.695 . . . . 0.0 112.388 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 587' ' ' HIS . . . . . 0.48 ' HB3' ' O ' ' A' ' 583' ' ' GLU . 0.2 OUTLIER -62.64 -53.63 51.65 Favored 'General case' 0 CA--C 1.518 -0.256 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 -179.625 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 588' ' ' LYS . . . . . 0.472 ' HA ' ' HB2' ' A' ' 591' ' ' HIS . 0.4 OUTLIER -57.95 -31.13 66.56 Favored 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 178.449 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 589' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.88 -30.34 5.73 Favored 'General case' 0 C--O 1.231 0.109 0 CA-C-N 114.954 -1.021 . . . . 0.0 110.944 179.373 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 590' ' ' THR . . . . . . . . . . . . . 4.2 t -121.63 28.09 7.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.856 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 591' ' ' HIS . . . . . 0.472 ' HB2' ' HA ' ' A' ' 588' ' ' LYS . 1.5 t-80 -72.96 -25.35 60.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.94 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 592' ' ' THR . . . . . . . . . . . . . 2.1 t 43.35 91.49 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.52 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 593' ' ' GLY . . . . . . . . . . . . . . . -165.4 -57.41 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.532 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 594' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -118.59 -40.94 2.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.819 0.342 . . . . 0.0 110.949 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 595' ' ' LYS . . . . . . . . . . . . . 1.1 ttpt . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.196 -0.906 . . . . 0.0 110.879 -179.978 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 565' ' ' ARG . . . . . 0.409 ' N ' ' HD2' ' A' ' 566' ' ' PRO . 1.7 mtt-85 . . . . . 0 N--CA 1.49 1.561 0 CA-C-O 120.594 0.235 . . . . 0.0 111.53 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 566' ' ' PRO . . . . . 0.409 ' HD2' ' N ' ' A' ' 565' ' ' ARG . 51.8 Cg_endo -69.22 60.98 1.42 Allowed 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.517 2.145 . . . . 0.0 112.638 -179.81 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 567' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -129.28 119.57 24.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.71 179.618 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 568' ' ' MET . . . . . . . . . . . . . 7.2 ptt? -147.34 129.94 15.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.911 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 569' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -59.78 140.5 56.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.071 179.68 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 44.9 p -89.95 3.69 52.34 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 112.794 0.664 . . . . 0.0 112.794 -178.368 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 571' ' ' TRP . . . . . 0.449 ' CH2' ' HB2' ' A' ' 588' ' ' LYS . 0.8 OUTLIER -46.24 167.3 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 120.937 0.399 . . . . 0.0 111.58 -179.713 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 3.4 m -57.01 -47.18 81.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.886 -179.16 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 573' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -163.34 87.34 0.54 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.833 0.349 . . . . 0.0 111.337 -179.647 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 574' ' ' CYS . . . . . . . . . . . . . 43.3 t -101.67 -50.22 3.77 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.573 179.65 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . 74.81 43.89 26.75 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.913 -0.66 . . . . 0.0 112.681 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 576' ' ' LYS . . . . . . . . . . . . . 58.1 mttt -144.83 122.93 12.12 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-O 120.823 0.344 . . . . 0.0 110.977 179.792 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 5.6 mtt180 -89.48 163.56 15.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.632 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 578' ' ' PHE . . . . . 0.424 ' CD2' ' HB3' ' A' ' 583' ' ' GLU . 60.4 m-85 -136.74 163.91 29.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.116 0.484 . . . . 0.0 111.449 -179.346 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 579' ' ' THR . . . . . . . . . . . . . 1.7 m -109.92 -17.92 13.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.831 179.636 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 580' ' ' ARG . . . . . 0.43 ' HD3' ' N ' ' A' ' 580' ' ' ARG . 1.3 mpp_? -130.19 137.16 49.94 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-O 120.88 0.371 . . . . 0.0 111.138 -179.845 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 581' ' ' SER . . . . . 0.434 ' O ' ' HG ' ' A' ' 584' ' ' LEU . 0.3 OUTLIER -60.64 -21.94 63.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.066 179.737 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -73.21 -34.49 65.96 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.772 -179.307 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 583' ' ' GLU . . . . . 0.44 ' O ' ' HB3' ' A' ' 587' ' ' HIS . 4.0 tp10 -55.07 -55.33 32.28 Favored 'General case' 0 CA--C 1.509 -0.604 0 CA-C-O 120.837 0.351 . . . . 0.0 111.232 -179.542 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 584' ' ' LEU . . . . . 0.434 ' HG ' ' O ' ' A' ' 581' ' ' SER . 0.0 OUTLIER -53.97 -32.62 54.53 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.964 -179.457 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 585' ' ' GLN . . . . . 0.411 ' NE2' ' CD1' ' A' ' 584' ' ' LEU . 16.2 mm-40 -63.89 -56.25 16.68 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.122 0.487 . . . . 0.0 109.952 179.042 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 586' ' ' ARG . . . . . 0.422 ' HG3' ' N ' ' A' ' 587' ' ' HIS . 2.6 ptm180 -72.63 -39.54 67.15 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.718 -0.673 . . . . 0.0 112.431 -179.842 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 587' ' ' HIS . . . . . 0.444 ' CD2' ' N ' ' A' ' 588' ' ' LYS . 0.1 OUTLIER -65.3 -52.34 54.76 Favored 'General case' 0 CA--C 1.519 -0.218 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 -179.854 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 588' ' ' LYS . . . . . 0.487 ' HA ' ' HB2' ' A' ' 591' ' ' HIS . 14.2 pttt -59.8 -30.87 69.2 Favored 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 178.404 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 589' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.08 -32.68 4.3 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 114.996 -1.002 . . . . 0.0 110.784 179.396 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 590' ' ' THR . . . . . . . . . . . . . 4.0 t -123.91 27.98 7.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.649 179.754 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 591' ' ' HIS . . . . . 0.487 ' HB2' ' HA ' ' A' ' 588' ' ' LYS . 1.7 t-80 -63.67 -51.84 63.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.916 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 592' ' ' THR . . . . . . . . . . . . . 1.7 t -149.65 91.2 1.78 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.849 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 593' ' ' GLY . . . . . . . . . . . . . . . 91.19 -105.61 3.29 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.505 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 594' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -155.88 98.01 1.87 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.859 0.361 . . . . 0.0 110.847 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 595' ' ' LYS . . . . . . . . . . . . . 11.5 mttt . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.237 -0.887 . . . . 0.0 110.9 179.979 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 565' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? . . . . . 0 N--CA 1.486 1.35 0 CA-C-O 120.682 0.277 . . . . 0.0 111.203 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 566' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_endo -83.42 47.93 2.5 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.79 2.327 . . . . 0.0 112.631 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 567' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 -129.33 104.13 7.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.796 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 568' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -147.28 121.16 9.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.082 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 569' ' ' CYS . . . . . 0.409 ' N ' ' CD2' ' A' ' 584' ' ' LEU . 0.1 OUTLIER -60.17 125.35 23.35 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 179.552 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 2.6 p -92.9 37.85 1.02 Allowed 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 111.972 0.36 . . . . 0.0 111.972 -178.717 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 571' ' ' TRP . . . . . 0.439 ' CZ2' ' HB2' ' A' ' 588' ' ' LYS . 1.2 m-90 -65.31 169.22 6.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.879 0.371 . . . . 0.0 111.129 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -52.08 -46.95 65.4 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.654 -179.439 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 573' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -161.14 73.0 0.45 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.902 0.382 . . . . 0.0 111.133 -179.804 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 574' ' ' CYS . . . . . . . . . . . . . 41.6 t -101.5 -46.47 4.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.533 179.648 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . 58.47 64.27 4.47 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.614 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 576' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -155.5 123.81 5.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.867 0.365 . . . . 0.0 110.938 179.81 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -89.52 163.53 15.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.654 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 578' ' ' PHE . . . . . 0.414 ' CD1' HD22 ' A' ' 584' ' ' LEU . 41.8 m-85 -138.16 163.68 31.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.031 0.444 . . . . 0.0 111.435 -179.452 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 579' ' ' THR . . . . . . . . . . . . . 30.0 m -108.02 -15.89 14.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.108 179.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 580' ' ' ARG . . . . . . . . . . . . . 7.9 mmt85 -140.5 140.26 35.26 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.872 0.367 . . . . 0.0 110.699 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 581' ' ' SER . . . . . 0.47 ' O ' ' NE2' ' A' ' 585' ' ' GLN . 0.9 OUTLIER -58.25 -39.9 80.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.063 -179.845 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -52.66 -34.09 50.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.207 -179.722 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 583' ' ' GLU . . . . . 0.506 ' O ' ' HB3' ' A' ' 587' ' ' HIS . 4.3 tp10 -56.68 -55.11 38.19 Favored 'General case' 0 CA--C 1.507 -0.688 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.914 179.602 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 584' ' ' LEU . . . . . 0.476 ' O ' ' HB3' ' A' ' 588' ' ' LYS . 0.8 OUTLIER -53.91 -33.01 55.37 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.112 -179.311 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 585' ' ' GLN . . . . . 0.47 ' NE2' ' O ' ' A' ' 581' ' ' SER . 0.1 OUTLIER -66.03 -56.14 13.1 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.047 0.451 . . . . 0.0 109.806 179.354 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 586' ' ' ARG . . . . . 0.406 ' HG3' ' N ' ' A' ' 587' ' ' HIS . 1.0 OUTLIER -72.61 -37.91 67.96 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.887 -0.597 . . . . 0.0 112.175 179.842 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 587' ' ' HIS . . . . . 0.506 ' HB3' ' O ' ' A' ' 583' ' ' GLU . 0.1 OUTLIER -65.51 -43.36 90.32 Favored 'General case' 0 CA--C 1.518 -0.283 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 -179.951 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 588' ' ' LYS . . . . . 0.516 ' HG3' ' N ' ' A' ' 589' ' ' ARG . 0.2 OUTLIER -60.01 -32.35 70.79 Favored 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 178.437 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 589' ' ' ARG . . . . . 0.516 ' N ' ' HG3' ' A' ' 588' ' ' LYS . 0.0 OUTLIER -50.66 -27.85 7.76 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-N 114.719 -1.128 . . . . 0.0 110.804 179.522 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 590' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -116.54 26.73 9.66 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.779 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 591' ' ' HIS . . . . . 0.424 ' HB2' ' HA ' ' A' ' 588' ' ' LYS . 1.8 t-80 -83.51 -32.1 26.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.971 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 592' ' ' THR . . . . . . . . . . . . . 2.1 t -159.35 -45.6 0.05 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.974 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 593' ' ' GLY . . . . . . . . . . . . . . . 155.21 45.6 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.466 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 594' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -110.27 81.23 1.4 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.859 0.361 . . . . 0.0 110.877 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 595' ' ' LYS . . . . . . . . . . . . . 25.1 ttpp . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.253 -0.879 . . . . 0.0 110.925 -179.995 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 565' ' ' ARG . . . . . . . . . . . . . 9.6 mtp180 . . . . . 0 N--CA 1.487 1.4 0 CA-C-O 120.677 0.275 . . . . 0.0 111.148 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 566' ' ' PRO . . . . . 0.424 ' HD2' ' CE2' ' A' ' 567' ' ' PHE . 83.2 Cg_endo -81.71 49.33 3.14 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.694 2.263 . . . . 0.0 112.798 -179.765 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 567' ' ' PHE . . . . . 0.424 ' CE2' ' HD2' ' A' ' 566' ' ' PRO . 14.3 m-85 -129.32 90.84 3.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.867 0.365 . . . . 0.0 110.769 179.716 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 568' ' ' MET . . . . . 0.406 ' N ' HD22 ' A' ' 584' ' ' LEU . 0.7 OUTLIER -136.24 135.85 39.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.771 179.931 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 569' ' ' CYS . . . . . 0.423 ' HA ' HD23 ' A' ' 584' ' ' LEU . 1.0 OUTLIER -55.89 143.69 30.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.372 179.912 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 39.6 p -89.55 13.62 13.5 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 112.765 0.654 . . . . 0.0 112.765 -178.429 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 571' ' ' TRP . . . . . 0.46 ' CZ2' ' HB3' ' A' ' 591' ' ' HIS . 0.8 OUTLIER -56.32 168.32 0.55 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.795 0.331 . . . . 0.0 110.998 -179.995 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 57.7 m -57.65 -47.06 83.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.445 -179.526 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 573' ' ' TYR . . . . . 0.405 ' O ' ' CD2' ' A' ' 573' ' ' TYR . 15.8 p90 -163.9 86.32 0.49 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.924 0.393 . . . . 0.0 110.957 -179.905 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 574' ' ' CYS . . . . . . . . . . . . . 9.2 t -101.6 -50.06 3.83 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.96 -179.961 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . 81.08 4.01 90.58 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.821 -179.897 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 576' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.59 99.37 12.3 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-O 120.811 0.339 . . . . 0.0 110.959 -179.886 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 26.9 mtt85 -89.52 144.24 26.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.553 179.73 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 578' ' ' PHE . . . . . 0.501 ' CD2' ' HB3' ' A' ' 583' ' ' GLU . 20.1 m-85 -134.27 164.11 28.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.452 -179.475 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 579' ' ' THR . . . . . . . . . . . . . 59.5 m -105.88 -7.37 18.27 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.486 -179.988 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 580' ' ' ARG . . . . . 0.403 ' HD2' ' N ' ' A' ' 580' ' ' ARG . 1.7 mpt_? -130.62 137.12 49.47 Favored 'General case' 0 N--CA 1.456 -0.158 0 CA-C-O 120.81 0.338 . . . . 0.0 111.009 -179.766 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 581' ' ' SER . . . . . . . . . . . . . 9.8 t -60.03 -33.54 72.16 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.499 179.671 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.54 -40.7 65.72 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.049 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 583' ' ' GLU . . . . . 0.551 ' O ' ' HB3' ' A' ' 587' ' ' HIS . 2.6 tp10 -55.23 -55.42 31.47 Favored 'General case' 0 CA--C 1.509 -0.605 0 CA-C-O 121.054 0.454 . . . . 0.0 110.6 179.612 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 584' ' ' LEU . . . . . 0.463 ' O ' ' HB2' ' A' ' 588' ' ' LYS . 6.5 mp -55.23 -33.26 62.96 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.745 -179.232 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 585' ' ' GLN . . . . . 0.416 ' O ' ' HG2' ' A' ' 589' ' ' ARG . 21.9 mm-40 -66.63 -56.78 9.1 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.326 -0.55 . . . . 0.0 109.932 179.62 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 586' ' ' ARG . . . . . 0.539 ' O ' ' HB2' ' A' ' 589' ' ' ARG . 2.3 ptm180 -72.78 -36.99 67.75 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.898 0.703 . . . . 0.0 112.898 -179.722 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 587' ' ' HIS . . . . . 0.551 ' HB3' ' O ' ' A' ' 583' ' ' GLU . 0.1 OUTLIER -68.35 -34.81 76.76 Favored 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 -179.616 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 588' ' ' LYS . . . . . 0.463 ' HB2' ' O ' ' A' ' 584' ' ' LEU . 87.7 mttt -72.77 -28.73 62.78 Favored 'General case' 0 N--CA 1.45 -0.433 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 178.27 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 589' ' ' ARG . . . . . 0.539 ' HB2' ' O ' ' A' ' 586' ' ' ARG . 12.2 mmm-85 -54.09 -24.65 18.26 Favored 'General case' 0 C--O 1.231 0.119 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.85 179.62 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 590' ' ' THR . . . . . . . . . . . . . 7.9 t -113.74 17.66 17.96 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.137 179.941 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 591' ' ' HIS . . . . . 0.46 ' HB3' ' CZ2' ' A' ' 571' ' ' TRP . 0.1 OUTLIER -85.48 -68.22 0.75 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.895 0.379 . . . . 0.0 110.773 179.983 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 592' ' ' THR . . . . . . . . . . . . . 5.3 t -129.01 156.53 43.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.869 -180.0 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 593' ' ' GLY . . . . . . . . . . . . . . . 60.75 156.39 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.52 -179.991 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 594' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -92.96 122.66 35.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.856 0.36 . . . . 0.0 110.95 179.999 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 595' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.26 -0.876 . . . . 0.0 110.871 -179.941 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 565' ' ' ARG . . . . . 0.417 ' HB3' ' CD2' ' A' ' 567' ' ' PHE . 4.4 mmt85 . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.67 0.271 . . . . 0.0 111.113 . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 566' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_endo -80.75 52.4 4.33 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.696 2.264 . . . . 0.0 112.594 -179.918 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 567' ' ' PHE . . . . . 0.417 ' CD2' ' HB3' ' A' ' 565' ' ' ARG . 63.3 m-85 -129.32 93.49 3.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.77 179.885 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 568' ' ' MET . . . . . . . . . . . . . 16.8 ptt? -135.13 127.51 30.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.876 -179.945 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 569' ' ' CYS . . . . . 0.426 ' N ' ' CD2' ' A' ' 584' ' ' LEU . 0.5 OUTLIER -62.35 130.65 46.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.264 -0.425 . . . . 0.0 109.864 179.732 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 1.2 p -88.72 16.04 7.34 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 112.67 0.619 . . . . 0.0 112.67 -178.383 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 571' ' ' TRP . . . . . 0.483 ' CZ2' ' HB2' ' A' ' 588' ' ' LYS . 0.8 OUTLIER -50.23 171.64 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.886 0.374 . . . . 0.0 111.307 179.995 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 60.2 p -56.72 -47.02 80.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.435 -179.555 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 573' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -165.34 84.19 0.36 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.833 0.349 . . . . 0.0 111.13 -179.817 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 574' ' ' CYS . . . . . . . . . . . . . 51.7 t -101.6 -50.17 3.8 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.723 179.803 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . 71.45 47.41 35.35 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.557 179.953 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 576' ' ' LYS . . . . . . . . . . . . . 43.1 mttm -145.44 121.42 10.69 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-O 120.851 0.357 . . . . 0.0 111.024 179.899 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.43 163.58 15.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.626 179.815 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 578' ' ' PHE . . . . . . . . . . . . . 38.4 m-85 -136.83 163.69 30.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.003 0.43 . . . . 0.0 111.602 -179.27 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 579' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -106.19 -15.58 14.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.063 179.754 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 580' ' ' ARG . . . . . . . . . . . . . 4.7 mtm180 -142.24 149.02 39.06 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.878 0.371 . . . . 0.0 110.764 179.953 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 581' ' ' SER . . . . . 0.48 ' O ' ' NE2' ' A' ' 585' ' ' GLN . 0.3 OUTLIER -64.21 -37.2 86.63 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.08 -179.839 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 582' ' ' ASP . . . . . 0.427 ' HA ' ' NE2' ' A' ' 585' ' ' GLN . 6.9 t0 -52.47 -37.98 58.31 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.431 -179.551 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 583' ' ' GLU . . . . . 0.518 ' O ' ' HB3' ' A' ' 587' ' ' HIS . 5.1 tt0 -55.65 -55.04 36.77 Favored 'General case' 0 CA--C 1.508 -0.668 0 CA-C-O 120.858 0.361 . . . . 0.0 110.993 179.641 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 584' ' ' LEU . . . . . 0.508 ' O ' ' HG2' ' A' ' 588' ' ' LYS . 1.7 mp -53.89 -33.06 55.39 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.136 -179.294 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 585' ' ' GLN . . . . . 0.48 ' NE2' ' O ' ' A' ' 581' ' ' SER . 0.0 OUTLIER -65.13 -56.73 11.27 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.015 0.436 . . . . 0.0 109.979 179.277 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 586' ' ' ARG . . . . . 0.4 ' HG3' ' N ' ' A' ' 587' ' ' HIS . 0.3 OUTLIER -72.87 -37.56 67.3 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.896 -0.593 . . . . 0.0 112.325 179.914 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 587' ' ' HIS . . . . . 0.518 ' HB3' ' O ' ' A' ' 583' ' ' GLU . 0.2 OUTLIER -65.85 -41.94 91.07 Favored 'General case' 0 CA--C 1.518 -0.261 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 -179.972 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 588' ' ' LYS . . . . . 0.508 ' HG2' ' O ' ' A' ' 584' ' ' LEU . 0.1 OUTLIER -61.84 -32.65 72.99 Favored 'General case' 0 N--CA 1.45 -0.444 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 178.303 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 589' ' ' ARG . . . . . 0.507 ' N ' ' HG3' ' A' ' 588' ' ' LYS . 0.1 OUTLIER -50.87 -26.99 6.51 Favored 'General case' 0 C--O 1.231 0.121 0 CA-C-N 114.736 -1.12 . . . . 0.0 111.028 179.634 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 590' ' ' THR . . . . . . . . . . . . . 9.2 t -120.37 30.33 7.01 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.758 179.928 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 591' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -86.42 -33.45 20.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.861 -179.944 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 592' ' ' THR . . . . . . . . . . . . . 3.5 t -146.47 176.33 9.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.882 -179.99 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 593' ' ' GLY . . . . . . . . . . . . . . . -104.76 39.26 2.9 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.506 179.947 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 594' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -84.71 -45.96 11.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.851 0.357 . . . . 0.0 110.883 -179.964 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 595' ' ' LYS . . . . . . . . . . . . . 12.0 mttt . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.241 -0.885 . . . . 0.0 110.859 -179.96 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 565' ' ' ARG . . . . . 0.426 ' HB3' ' CD2' ' A' ' 567' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.415 0 CA-C-O 120.689 0.281 . . . . 0.0 111.152 . . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 566' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -72.58 60.91 3.52 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.594 2.196 . . . . 0.0 112.437 -179.892 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 567' ' ' PHE . . . . . 0.426 ' CD2' ' HB3' ' A' ' 565' ' ' ARG . 59.7 m-85 -129.36 100.48 5.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.807 179.857 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 568' ' ' MET . . . . . . . . . . . . . 18.8 ptp -138.15 130.26 28.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.055 -179.953 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 569' ' ' CYS . . . . . 0.422 ' N ' ' CD2' ' A' ' 584' ' ' LEU . 0.5 OUTLIER -57.32 135.49 56.5 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.195 179.753 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 17.3 p -92.83 33.92 1.12 Allowed 'General case' 0 N--CA 1.463 0.212 0 N-CA-C 112.57 0.581 . . . . 0.0 112.57 -178.441 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 571' ' ' TRP . . . . . 0.454 ' CZ2' ' HB2' ' A' ' 588' ' ' LYS . 1.3 m-90 -67.22 -177.43 0.67 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.86 0.362 . . . . 0.0 110.939 179.552 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 2.6 t -70.69 -46.87 62.36 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.95 -179.962 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 573' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -158.2 77.64 0.8 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 179.938 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 574' ' ' CYS . . . . . . . . . . . . . 41.7 t -101.23 -49.91 3.93 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.723 179.95 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . 63.03 61.59 6.26 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.627 179.885 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 576' ' ' LYS . . . . . . . . . . . . . 2.8 mtpm? -154.37 107.53 2.87 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-O 120.921 0.391 . . . . 0.0 110.895 179.827 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 4.3 mtt180 -89.5 156.48 18.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.676 179.968 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 578' ' ' PHE . . . . . 0.495 ' CD2' ' HB3' ' A' ' 583' ' ' GLU . 9.9 m-85 -135.87 163.89 29.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.032 0.444 . . . . 0.0 111.277 -179.869 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 579' ' ' THR . . . . . . . . . . . . . 27.2 m -100.6 -6.04 25.85 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.464 -179.928 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 580' ' ' ARG . . . . . . . . . . . . . 2.3 mmm180 -138.82 137.12 36.33 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.834 0.349 . . . . 0.0 110.883 -179.762 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 581' ' ' SER . . . . . 0.452 ' O ' ' NE2' ' A' ' 585' ' ' GLN . 88.3 p -59.29 -38.36 80.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.389 179.695 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 582' ' ' ASP . . . . . 0.408 ' O ' ' HG3' ' A' ' 586' ' ' ARG . 85.1 m-20 -52.84 -35.08 56.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.281 -179.981 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 583' ' ' GLU . . . . . 0.553 ' O ' ' HB3' ' A' ' 587' ' ' HIS . 4.8 tp10 -55.22 -56.14 23.36 Favored 'General case' 0 CA--C 1.509 -0.622 0 CA-C-O 120.998 0.428 . . . . 0.0 110.928 179.917 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 584' ' ' LEU . . . . . 0.422 ' CD2' ' N ' ' A' ' 569' ' ' CYS . 18.8 mt -55.7 -33.77 64.48 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.706 -179.2 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 585' ' ' GLN . . . . . 0.46 ' O ' ' CG ' ' A' ' 588' ' ' LYS . 0.1 OUTLIER -64.78 -56.35 14.12 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.0 0.428 . . . . 0.0 109.902 179.803 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 586' ' ' ARG . . . . . 0.557 ' O ' ' HB2' ' A' ' 589' ' ' ARG . 24.9 mtm180 -73.5 -38.24 65.44 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.938 -0.574 . . . . 0.0 112.526 179.782 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 587' ' ' HIS . . . . . 0.553 ' HB3' ' O ' ' A' ' 583' ' ' GLU . 0.1 OUTLIER -64.62 -36.77 85.32 Favored 'General case' 0 CA--C 1.518 -0.276 0 C-N-CA 120.299 -0.56 . . . . 0.0 109.762 -179.11 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 588' ' ' LYS . . . . . 0.468 ' HG3' ' N ' ' A' ' 589' ' ' ARG . 0.6 OUTLIER -62.82 -30.59 71.6 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 178.662 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 589' ' ' ARG . . . . . 0.557 ' HB2' ' O ' ' A' ' 586' ' ' ARG . 31.2 mmt180 -50.25 -29.39 9.45 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.214 -0.903 . . . . 0.0 110.866 179.478 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 590' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -113.48 28.97 8.35 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.948 -179.672 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 591' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -94.22 -53.54 3.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.909 -179.904 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 592' ' ' THR . . . . . . . . . . . . . 10.1 t -96.44 -45.19 6.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.937 -179.986 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 593' ' ' GLY . . . . . . . . . . . . . . . 117.03 79.63 0.74 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.431 -179.941 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 594' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -165.67 142.9 5.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.777 0.322 . . . . 0.0 110.939 -179.948 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 595' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.242 -0.885 . . . . 0.0 110.858 -179.956 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 565' ' ' ARG . . . . . 0.443 ' N ' ' HD2' ' A' ' 566' ' ' PRO . 22.3 mtt180 . . . . . 0 N--CA 1.489 1.485 0 N-CA-C 111.743 0.275 . . . . 0.0 111.743 . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 566' ' ' PRO . . . . . 0.443 ' HD2' ' N ' ' A' ' 565' ' ' ARG . 74.0 Cg_endo -76.42 58.45 5.78 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.207 1.938 . . . . 0.0 112.465 -179.882 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 567' ' ' PHE . . . . . 0.435 ' CD1' ' HB3' ' A' ' 581' ' ' SER . 79.0 m-85 -129.23 131.48 47.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.702 179.752 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 568' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -147.35 129.22 15.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.198 -179.817 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 569' ' ' CYS . . . . . 0.422 ' HB2' ' CE3' ' A' ' 571' ' ' TRP . 7.7 p -63.25 150.89 42.01 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 179.187 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 40.4 p -89.08 24.45 2.12 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 -179.028 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 571' ' ' TRP . . . . . 0.452 ' CZ2' ' HB2' ' A' ' 588' ' ' LYS . 7.9 m-90 -101.07 98.23 8.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.78 0.324 . . . . 0.0 110.738 179.386 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 67.0 m -50.24 -46.19 54.58 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.029 -179.851 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 573' ' ' TYR . . . . . . . . . . . . . 31.5 t80 -62.58 -18.27 61.78 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.066 179.806 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 574' ' ' CYS . . . . . 0.476 ' HB2' ' CE1' ' A' ' 591' ' ' HIS . 33.7 t -82.49 -50.38 8.9 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.221 -179.827 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . 47.79 70.02 0.81 Allowed Glycine 0 C--N 1.331 0.277 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.461 -179.71 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 576' ' ' LYS . . . . . 0.409 ' HE2' ' CE2' ' A' ' 578' ' ' PHE . 6.4 tttp -156.24 133.02 10.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.871 0.367 . . . . 0.0 111.096 -179.666 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 15.3 mtt-85 -89.59 158.63 17.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.499 179.739 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 578' ' ' PHE . . . . . 0.444 ' CD2' ' HB3' ' A' ' 583' ' ' GLU . 53.2 m-85 -128.77 160.87 31.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.044 0.45 . . . . 0.0 111.462 -179.613 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 579' ' ' THR . . . . . . . . . . . . . 4.5 m -90.84 -21.41 21.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.578 179.472 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 580' ' ' ARG . . . . . . . . . . . . . 32.5 mmm180 -141.36 137.13 32.12 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.43 179.697 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 581' ' ' SER . . . . . 0.465 ' O ' ' NE2' ' A' ' 585' ' ' GLN . 0.1 OUTLIER -56.59 -38.62 72.27 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.101 -179.724 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 582' ' ' ASP . . . . . 0.42 ' HA ' ' NE2' ' A' ' 585' ' ' GLN . 10.2 m-20 -52.64 -35.36 54.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.781 -179.539 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 583' ' ' GLU . . . . . 0.544 ' O ' ' HB3' ' A' ' 587' ' ' HIS . 4.5 tp10 -56.95 -55.95 27.96 Favored 'General case' 0 CA--C 1.509 -0.623 0 CA-C-O 121.056 0.455 . . . . 0.0 111.187 -179.84 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 584' ' ' LEU . . . . . 0.537 ' O ' ' HB3' ' A' ' 588' ' ' LYS . 0.7 OUTLIER -56.35 -32.68 64.93 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.341 -178.905 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 585' ' ' GLN . . . . . 0.465 ' NE2' ' O ' ' A' ' 581' ' ' SER . 0.0 OUTLIER -62.76 -56.82 14.06 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 179.294 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 586' ' ' ARG . . . . . 0.603 ' O ' ' HD2' ' A' ' 589' ' ' ARG . 0.0 OUTLIER -73.39 -41.7 63.03 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.949 -0.569 . . . . 0.0 112.458 179.474 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 587' ' ' HIS . . . . . 0.544 ' HB3' ' O ' ' A' ' 583' ' ' GLU . 0.0 OUTLIER -58.82 -26.09 63.8 Favored 'General case' 0 C--N 1.333 -0.142 0 C-N-CA 120.646 -0.422 . . . . 0.0 110.114 -179.522 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 588' ' ' LYS . . . . . 0.537 ' HB3' ' O ' ' A' ' 584' ' ' LEU . 6.3 pttt -65.28 -27.97 69.0 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.92 178.983 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 589' ' ' ARG . . . . . 0.603 ' HD2' ' O ' ' A' ' 586' ' ' ARG . 0.0 OUTLIER -45.36 -29.42 1.05 Allowed 'General case' 0 C--O 1.231 0.121 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.751 -179.545 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 590' ' ' THR . . . . . 0.428 ' N ' ' CD ' ' A' ' 589' ' ' ARG . 9.5 t -113.22 37.18 3.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.804 179.705 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 591' ' ' HIS . . . . . 0.476 ' CE1' ' HB2' ' A' ' 574' ' ' CYS . 0.0 OUTLIER -114.25 152.16 31.74 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.868 -179.967 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 592' ' ' THR . . . . . . . . . . . . . 17.2 p 52.88 -170.13 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.058 179.876 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 593' ' ' GLY . . . . . . . . . . . . . . . -103.45 40.21 2.52 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.639 -179.969 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 594' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -94.42 -50.06 5.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.804 0.335 . . . . 0.0 110.876 179.913 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 595' ' ' LYS . . . . . . . . . . . . . 12.0 mtpt . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.212 -0.899 . . . . 0.0 110.916 179.916 . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 565' ' ' ARG . . . . . 0.432 ' HB3' ' CD2' ' A' ' 567' ' ' PHE . 2.3 mtt-85 . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.679 0.276 . . . . 0.0 111.081 . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 566' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_endo -83.02 47.36 2.41 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.812 2.341 . . . . 0.0 112.937 -179.717 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 567' ' ' PHE . . . . . 0.432 ' CD2' ' HB3' ' A' ' 565' ' ' ARG . 32.3 m-85 -129.31 105.58 8.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.731 179.733 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 568' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -147.45 125.71 12.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.022 -179.944 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 569' ' ' CYS . . . . . 0.408 ' N ' ' CD2' ' A' ' 584' ' ' LEU . 0.1 OUTLIER -60.69 125.28 23.12 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 179.522 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 31.9 p -93.77 34.9 1.17 Allowed 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 111.965 0.358 . . . . 0.0 111.965 -178.812 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 571' ' ' TRP . . . . . 0.467 ' CZ2' ' HB2' ' A' ' 588' ' ' LYS . 1.2 m-90 -60.33 171.87 0.97 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.849 0.357 . . . . 0.0 111.072 179.732 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 87.6 p -53.45 -46.95 70.08 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.306 -179.714 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 573' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -161.94 75.35 0.46 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.003 0.43 . . . . 0.0 110.917 179.967 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 574' ' ' CYS . . . . . . . . . . . . . 40.4 t -101.45 -49.1 4.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.711 179.857 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . 62.62 64.33 3.94 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.444 179.981 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 576' ' ' LYS . . . . . . . . . . . . . 33.6 mttt -158.02 121.13 3.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.807 0.337 . . . . 0.0 110.909 179.902 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 7.8 mtp85 -89.55 163.47 15.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 179.901 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 578' ' ' PHE . . . . . 0.437 ' CD2' ' HB3' ' A' ' 583' ' ' GLU . 75.6 m-85 -139.75 163.71 31.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.31 -179.528 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 579' ' ' THR . . . . . . . . . . . . . 68.6 m -100.6 -16.07 17.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.269 179.944 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 580' ' ' ARG . . . . . . . . . . . . . 1.1 mtt85 -147.4 142.53 27.14 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-O 120.81 0.338 . . . . 0.0 110.947 -179.966 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 581' ' ' SER . . . . . . . . . . . . . 1.4 m -58.76 -24.87 62.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.94 179.813 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -58.86 -43.46 90.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.094 -179.917 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 583' ' ' GLU . . . . . 0.45 ' O ' ' HB3' ' A' ' 587' ' ' HIS . 3.3 tp10 -55.11 -49.0 72.84 Favored 'General case' 0 CA--C 1.509 -0.62 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.893 179.85 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 584' ' ' LEU . . . . . 0.478 ' O ' ' HB3' ' A' ' 588' ' ' LYS . 2.6 mt -53.82 -32.72 53.78 Favored 'General case' 0 C--N 1.318 -0.761 0 C-N-CA 120.625 -0.43 . . . . 0.0 110.177 179.763 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 585' ' ' GLN . . . . . 0.707 ' HG2' ' N ' ' A' ' 586' ' ' ARG . 0.0 OUTLIER -64.18 -56.06 17.42 Favored 'General case' 0 N--CA 1.449 -0.517 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 178.828 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 586' ' ' ARG . . . . . 0.707 ' N ' ' HG2' ' A' ' 585' ' ' GLN . 0.1 OUTLIER -73.57 -41.25 63.17 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.59 -0.732 . . . . 0.0 112.37 179.842 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 587' ' ' HIS . . . . . 0.45 ' HB3' ' O ' ' A' ' 583' ' ' GLU . 0.1 OUTLIER -63.7 -48.19 78.13 Favored 'General case' 0 CA--C 1.519 -0.222 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 -179.279 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 588' ' ' LYS . . . . . 0.491 ' HG2' ' O ' ' A' ' 585' ' ' GLN . 10.6 pttt -57.54 -31.75 66.41 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 178.378 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 589' ' ' ARG . . . . . 0.421 ' CB ' ' O ' ' A' ' 586' ' ' ARG . 0.0 OUTLIER -48.76 -29.32 4.38 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 114.837 -1.074 . . . . 0.0 110.842 179.413 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 590' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -114.58 26.18 10.41 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.852 179.95 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 591' ' ' HIS . . . . . 0.449 ' HB2' ' HA ' ' A' ' 588' ' ' LYS . 1.2 t-80 -85.73 -62.83 1.43 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.891 -179.895 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 592' ' ' THR . . . . . . . . . . . . . 7.1 t -146.51 86.66 1.68 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 179.909 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 593' ' ' GLY . . . . . . . . . . . . . . . 141.35 -27.04 2.41 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.572 -179.973 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 594' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 61.52 165.84 0.09 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.768 0.318 . . . . 0.0 110.975 -179.98 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 595' ' ' LYS . . . . . . . . . . . . . 1.4 tppp? . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.194 -0.908 . . . . 0.0 110.882 -179.985 . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 565' ' ' ARG . . . . . . . . . . . . . 48.2 ttm-85 . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.737 0.303 . . . . 0.0 111.197 . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 566' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -66.15 80.64 0.29 Allowed 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.596 2.197 . . . . 0.0 112.333 -179.982 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 567' ' ' PHE . . . . . 0.418 ' CD1' HD23 ' A' ' 584' ' ' LEU . 0.2 OUTLIER -106.15 107.09 17.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.698 179.898 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 568' ' ' MET . . . . . 0.417 ' CB ' ' HA ' ' A' ' 577' ' ' ARG . 9.2 ptt? -112.02 134.04 53.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.028 -179.831 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 569' ' ' CYS . . . . . 0.448 ' HB2' ' CE3' ' A' ' 571' ' ' TRP . 0.5 OUTLIER -53.57 124.41 14.93 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.218 179.766 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 14.7 p -94.56 35.93 1.19 Allowed 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 112.122 0.415 . . . . 0.0 112.122 -178.557 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 571' ' ' TRP . . . . . 0.506 ' CD1' ' CE1' ' A' ' 591' ' ' HIS . 1.2 m-90 -61.47 173.79 0.86 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.725 0.298 . . . . 0.0 110.777 179.64 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 4.9 m -53.22 -46.94 69.31 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.193 -179.785 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 573' ' ' TYR . . . . . . . . . . . . . 13.0 p90 -166.64 76.05 0.18 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.6 179.85 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 574' ' ' CYS . . . . . 0.432 ' HB2' ' CE1' ' A' ' 591' ' ' HIS . 53.6 t -97.75 -50.3 4.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.103 -179.619 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . 74.03 52.88 7.47 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.663 -0.78 . . . . 0.0 112.402 -179.865 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 576' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -152.05 115.37 4.75 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.808 0.337 . . . . 0.0 110.803 179.887 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 577' ' ' ARG . . . . . 0.417 ' HA ' ' CB ' ' A' ' 568' ' ' MET . 25.8 mtp85 -94.42 154.99 17.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.132 -179.835 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 578' ' ' PHE . . . . . 0.459 ' CD1' ' HG2' ' A' ' 583' ' ' GLU . 5.4 m-85 -139.66 163.92 31.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.123 179.992 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 579' ' ' THR . . . . . . . . . . . . . 24.4 m -105.45 -7.45 18.71 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.58 -179.9 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 580' ' ' ARG . . . . . . . . . . . . . 3.8 mmt-85 -135.5 137.12 41.81 Favored 'General case' 0 N--CA 1.456 -0.147 0 CA-C-O 120.876 0.369 . . . . 0.0 111.01 -179.787 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 581' ' ' SER . . . . . . . . . . . . . 88.4 p -60.83 -34.16 74.15 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.543 179.76 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -54.19 -39.24 66.46 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.07 179.918 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 583' ' ' GLU . . . . . 0.507 ' O ' ' HB3' ' A' ' 587' ' ' HIS . 7.2 tp10 -55.29 -55.3 32.99 Favored 'General case' 0 CA--C 1.508 -0.639 0 CA-C-O 121.133 0.492 . . . . 0.0 110.677 179.557 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 584' ' ' LEU . . . . . 0.431 ' CD2' ' HA ' ' A' ' 569' ' ' CYS . 6.5 mp -54.31 -35.72 62.94 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.544 -179.073 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 585' ' ' GLN . . . . . 0.473 ' O ' ' HG2' ' A' ' 588' ' ' LYS . 23.8 mm-40 -62.27 -56.83 14.72 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 179.582 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 586' ' ' ARG . . . . . 0.567 ' O ' ' HB3' ' A' ' 589' ' ' ARG . 0.5 OUTLIER -73.73 -42.37 61.24 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 113.1 0.778 . . . . 0.0 113.1 179.953 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 587' ' ' HIS . . . . . 0.507 ' HB3' ' O ' ' A' ' 583' ' ' GLU . 0.0 OUTLIER -57.43 -33.57 68.05 Favored 'General case' 0 CA--C 1.52 -0.19 0 C-N-CA 120.511 -0.476 . . . . 0.0 110.47 -178.174 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 588' ' ' LYS . . . . . 0.473 ' HG2' ' O ' ' A' ' 585' ' ' GLN . 0.3 OUTLIER -53.3 -27.36 22.56 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.047 178.838 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 589' ' ' ARG . . . . . 0.567 ' HB3' ' O ' ' A' ' 586' ' ' ARG . 0.0 OUTLIER -44.96 -31.15 1.18 Allowed 'General case' 0 N--CA 1.462 0.149 0 CA-C-N 115.505 -0.771 . . . . 0.0 110.87 -179.097 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 590' ' ' THR . . . . . . . . . . . . . 14.9 t -107.97 34.9 3.34 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.901 179.919 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 591' ' ' HIS . . . . . 0.506 ' CE1' ' CD1' ' A' ' 571' ' ' TRP . 0.1 OUTLIER -116.86 -69.94 0.82 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.839 -179.929 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 592' ' ' THR . . . . . . . . . . . . . 58.1 p -139.57 158.04 44.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.879 179.973 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 593' ' ' GLY . . . . . . . . . . . . . . . 100.44 -162.4 18.85 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.47 179.923 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 594' ' ' GLU . . . . . . . . . . . . . 71.0 mm-40 -108.15 -41.62 4.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.821 0.343 . . . . 0.0 110.86 -179.999 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 595' ' ' LYS . . . . . . . . . . . . . 12.2 tttp . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.183 -0.913 . . . . 0.0 110.895 -179.999 . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 565' ' ' ARG . . . . . 0.428 ' HB3' ' CE2' ' A' ' 567' ' ' PHE . 0.5 OUTLIER . . . . . 0 N--CA 1.487 1.413 0 CA-C-O 120.737 0.303 . . . . 0.0 111.212 . . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 566' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -82.11 53.63 4.64 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.804 2.336 . . . . 0.0 112.647 -179.799 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 567' ' ' PHE . . . . . 0.428 ' CE2' ' HB3' ' A' ' 565' ' ' ARG . 58.4 m-85 -103.58 91.0 3.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.689 179.754 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 568' ' ' MET . . . . . 0.461 ' HB3' ' CG ' ' A' ' 577' ' ' ARG . 0.0 OUTLIER -119.36 145.49 46.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.322 -179.806 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 569' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -64.98 133.68 52.26 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 179.217 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 76.4 p -84.58 36.21 0.59 Allowed 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 113.245 0.832 . . . . 0.0 113.245 -177.807 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 571' ' ' TRP . . . . . 0.55 ' CZ2' ' HB2' ' A' ' 588' ' ' LYS . 0.5 OUTLIER -68.16 -177.3 0.84 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.818 0.342 . . . . 0.0 110.84 179.453 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 2.6 p -61.07 -45.17 95.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.868 179.95 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 573' ' ' TYR . . . . . . . . . . . . . 16.5 t80 -163.62 72.08 0.27 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.947 179.92 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 574' ' ' CYS . . . . . . . . . . . . . 15.4 t -91.67 -50.03 5.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.708 179.91 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . 66.23 12.52 58.28 Favored Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 120.931 -0.652 . . . . 0.0 113.103 179.69 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 576' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -95.41 101.17 12.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.815 0.34 . . . . 0.0 110.888 179.94 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 577' ' ' ARG . . . . . 0.461 ' CG ' ' HB3' ' A' ' 568' ' ' MET . 12.8 mtm105 -89.59 141.89 28.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.985 -179.926 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 578' ' ' PHE . . . . . 0.57 ' CD2' ' HB3' ' A' ' 583' ' ' GLU . 14.8 m-85 -128.39 163.89 23.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.036 -179.854 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 579' ' ' THR . . . . . . . . . . . . . 24.2 m -92.18 -6.37 50.78 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.529 -179.916 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 580' ' ' ARG . . . . . . . . . . . . . 3.0 mmm180 -142.02 137.15 30.91 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.809 0.338 . . . . 0.0 110.883 -179.777 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 581' ' ' SER . . . . . 0.461 ' O ' ' NE2' ' A' ' 585' ' ' GLN . 0.3 OUTLIER -57.46 -37.31 72.66 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.492 179.837 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 582' ' ' ASP . . . . . 0.414 ' HA ' ' NE2' ' A' ' 585' ' ' GLN . 0.8 OUTLIER -52.75 -35.73 56.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.438 179.995 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 583' ' ' GLU . . . . . 0.57 ' HB3' ' CD2' ' A' ' 578' ' ' PHE . 10.6 tp10 -55.58 -56.37 21.14 Favored 'General case' 0 CA--C 1.509 -0.613 0 CA-C-O 120.95 0.405 . . . . 0.0 111.205 -179.813 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 584' ' ' LEU . . . . . 0.417 ' CD2' ' HA ' ' A' ' 581' ' ' SER . 0.7 OUTLIER -56.36 -33.0 65.25 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.14 -179.238 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 585' ' ' GLN . . . . . 0.461 ' NE2' ' O ' ' A' ' 581' ' ' SER . 0.0 OUTLIER -63.5 -55.25 25.54 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.084 0.468 . . . . 0.0 109.904 179.199 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 586' ' ' ARG . . . . . 0.441 ' HG3' ' N ' ' A' ' 587' ' ' HIS . 4.8 ptm180 -72.53 -39.74 67.31 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.81 -0.632 . . . . 0.0 112.022 179.826 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 587' ' ' HIS . . . . . 0.54 ' HB3' ' O ' ' A' ' 583' ' ' GLU . 0.0 OUTLIER -64.57 -47.24 79.47 Favored 'General case' 0 CA--C 1.52 -0.188 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 -179.886 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 588' ' ' LYS . . . . . 0.55 ' HB2' ' CZ2' ' A' ' 571' ' ' TRP . 0.0 OUTLIER -65.39 -30.68 71.52 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-O 121.445 0.64 . . . . 0.0 109.358 178.485 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 589' ' ' ARG . . . . . 0.453 ' N ' ' HG3' ' A' ' 588' ' ' LYS . 0.1 OUTLIER -46.65 -29.86 2.05 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.003 -0.999 . . . . 0.0 111.145 179.88 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 590' ' ' THR . . . . . . . . . . . . . 5.0 t -128.93 39.23 3.82 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.857 -179.909 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 591' ' ' HIS . . . . . 0.511 ' CD2' ' CE1' ' A' ' 587' ' ' HIS . 0.3 OUTLIER -162.53 103.02 1.06 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.67 -179.786 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 592' ' ' THR . . . . . . . . . . . . . 4.7 t -178.12 164.02 1.77 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.889 -179.986 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 593' ' ' GLY . . . . . . . . . . . . . . . -73.99 -28.1 65.26 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.512 179.996 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 594' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -149.23 122.75 9.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.782 0.325 . . . . 0.0 110.922 -179.934 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 595' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.235 -0.888 . . . . 0.0 110.932 179.966 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 565' ' ' ARG . . . . . . . . . . . . . 7.8 mtp180 . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.708 0.289 . . . . 0.0 111.198 . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 566' ' ' PRO . . . . . 0.413 ' HD2' ' CE2' ' A' ' 567' ' ' PHE . 87.8 Cg_endo -81.2 48.0 2.74 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.714 2.276 . . . . 0.0 112.742 -179.864 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 567' ' ' PHE . . . . . 0.413 ' CE2' ' HD2' ' A' ' 566' ' ' PRO . 8.1 m-85 -129.39 104.7 7.64 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.645 179.795 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 568' ' ' MET . . . . . . . . . . . . . 23.9 ptt? -144.22 117.06 8.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.843 0.354 . . . . 0.0 111.233 -179.82 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 569' ' ' CYS . . . . . 0.551 ' O ' ' SG ' ' A' ' 569' ' ' CYS . 2.1 t -91.39 13.66 16.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.756 179.66 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 570' ' ' THR . . . . . 0.44 ' HA ' ' HB3' ' A' ' 574' ' ' CYS . 4.0 p -72.72 51.74 0.28 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.53 -0.305 . . . . 0.0 110.592 179.514 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 571' ' ' TRP . . . . . 0.487 ' NE1' ' HB2' ' A' ' 574' ' ' CYS . 0.0 OUTLIER -44.75 -98.97 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 111.778 0.288 . . . . 0.0 111.778 -179.519 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 34.1 t -90.88 -46.82 7.97 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-O 120.658 0.266 . . . . 0.0 111.134 -179.739 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 573' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -154.81 52.89 0.64 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.434 -179.736 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 574' ' ' CYS . . . . . 0.487 ' HB2' ' NE1' ' A' ' 571' ' ' TRP . 0.0 OUTLIER -90.55 -42.08 11.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.909 0.385 . . . . 0.0 110.157 179.494 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . 56.64 67.87 1.99 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.986 -0.626 . . . . 0.0 113.225 179.475 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 576' ' ' LYS . . . . . . . . . . . . . 2.4 mttp -169.39 114.16 0.54 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.844 0.354 . . . . 0.0 110.831 179.503 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 26.0 mtt-85 -89.37 163.47 15.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.509 179.945 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 578' ' ' PHE . . . . . 0.45 ' CE2' ' HG2' ' A' ' 583' ' ' GLU . 91.6 m-85 -148.39 160.55 42.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.066 0.46 . . . . 0.0 111.502 -179.596 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 579' ' ' THR . . . . . 0.413 ' O ' ' CE2' ' A' ' 567' ' ' PHE . 58.7 m -110.91 -11.68 14.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.095 179.821 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 580' ' ' ARG . . . . . . . . . . . . . 13.4 mmt-85 -128.23 137.13 51.88 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.851 0.358 . . . . 0.0 110.628 179.892 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 581' ' ' SER . . . . . . . . . . . . . 3.5 p -65.43 -30.08 70.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 -179.997 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.02 -35.63 81.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.269 -179.845 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 583' ' ' GLU . . . . . 0.452 ' O ' ' HB3' ' A' ' 587' ' ' HIS . 2.6 tt0 -55.25 -55.1 35.16 Favored 'General case' 0 CA--C 1.511 -0.543 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.169 -179.921 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 584' ' ' LEU . . . . . 0.435 ' O ' ' HB3' ' A' ' 588' ' ' LYS . 2.3 mp -54.4 -33.45 59.35 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.166 -179.463 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 585' ' ' GLN . . . . . 0.405 ' O ' ' HG3' ' A' ' 588' ' ' LYS . 21.7 mm-40 -62.24 -56.36 19.38 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.533 -0.467 . . . . 0.0 109.864 179.147 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 586' ' ' ARG . . . . . . . . . . . . . 2.7 ptp180 -72.86 -42.3 63.86 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.847 -0.615 . . . . 0.0 112.343 179.792 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 587' ' ' HIS . . . . . 0.452 ' HB3' ' O ' ' A' ' 583' ' ' GLU . 0.1 OUTLIER -62.91 -47.57 82.69 Favored 'General case' 0 CA--C 1.521 -0.156 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 -179.393 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 588' ' ' LYS . . . . . 0.442 ' HG3' ' N ' ' A' ' 589' ' ' ARG . 0.0 OUTLIER -61.7 -31.41 71.55 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 178.323 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 589' ' ' ARG . . . . . 0.442 ' N ' ' HG3' ' A' ' 588' ' ' LYS . 0.0 OUTLIER -48.12 -29.67 3.85 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 114.865 -1.061 . . . . 0.0 111.02 179.539 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 590' ' ' THR . . . . . . . . . . . . . 4.5 t -121.31 34.18 5.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.866 -179.983 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 591' ' ' HIS . . . . . 0.431 ' HB2' ' HA ' ' A' ' 588' ' ' LYS . 1.8 t-80 -85.74 -53.04 5.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.929 -179.895 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 592' ' ' THR . . . . . . . . . . . . . 2.6 t -128.88 84.92 2.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.897 179.937 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 593' ' ' GLY . . . . . . . . . . . . . . . 103.63 173.18 25.8 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.483 179.97 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 594' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -82.18 95.85 7.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.801 0.334 . . . . 0.0 110.91 179.975 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 595' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.25 1.087 0 CA-C-O 118.237 -0.887 . . . . 0.0 110.912 179.998 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 565' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.412 0 CA-C-O 120.776 0.322 . . . . 0.0 111.226 . . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 566' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -83.7 49.7 2.97 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.769 2.313 . . . . 0.0 112.571 -179.912 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 567' ' ' PHE . . . . . 0.415 ' CE1' ' HB2' ' A' ' 581' ' ' SER . 61.7 m-85 -129.33 111.3 12.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.857 179.953 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 568' ' ' MET . . . . . . . . . . . . . 3.7 ptt? -147.38 111.16 5.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.192 -179.941 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 569' ' ' CYS . . . . . 0.502 ' HB2' ' CE2' ' A' ' 571' ' ' TRP . 0.5 OUTLIER -58.39 131.97 52.27 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.238 179.556 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 14.5 p -130.68 40.08 3.54 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 111.904 0.335 . . . . 0.0 111.904 -179.28 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 571' ' ' TRP . . . . . 0.614 ' CZ2' ' HB3' ' A' ' 588' ' ' LYS . 2.3 m95 -54.03 -99.86 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 120.918 -0.313 . . . . 0.0 110.92 179.85 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 572' ' ' SER . . . . . 0.439 ' H ' ' HB2' ' A' ' 571' ' ' TRP . 0.4 OUTLIER -102.24 -47.15 4.6 Favored 'General case' 0 C--O 1.231 0.09 0 CA-C-O 120.921 0.391 . . . . 0.0 111.0 179.793 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 573' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -179.2 79.83 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.736 -179.934 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 574' ' ' CYS . . . . . 0.443 ' HB3' ' SG ' ' A' ' 569' ' ' CYS . 34.8 t -101.48 -50.25 3.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.803 -179.907 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . 68.41 58.95 6.61 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.558 -179.95 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 576' ' ' LYS . . . . . . . . . . . . . 4.3 mtpp -154.36 124.81 6.96 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.913 0.387 . . . . 0.0 111.019 179.852 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 60.3 mtt-85 -89.56 163.43 15.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.82 179.961 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 578' ' ' PHE . . . . . 0.491 ' CD2' ' HB3' ' A' ' 583' ' ' GLU . 1.8 m-85 -138.48 163.98 30.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.13 -179.945 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 579' ' ' THR . . . . . . . . . . . . . 4.1 m -99.14 -7.94 25.9 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.629 -179.748 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 580' ' ' ARG . . . . . . . . . . . . . 3.0 mmt180 -146.72 137.12 23.73 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.854 0.359 . . . . 0.0 111.133 -179.82 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 581' ' ' SER . . . . . 0.415 ' HB2' ' CE1' ' A' ' 567' ' ' PHE . 0.2 OUTLIER -59.67 -31.68 69.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.546 179.737 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -56.12 -37.56 69.6 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.912 179.879 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 583' ' ' GLU . . . . . 0.566 ' O ' ' HB3' ' A' ' 587' ' ' HIS . 3.1 tt0 -55.41 -55.29 33.32 Favored 'General case' 0 CA--C 1.509 -0.633 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.82 179.625 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 584' ' ' LEU . . . . . 0.564 ' O ' ' HB3' ' A' ' 588' ' ' LYS . 0.4 OUTLIER -54.41 -33.12 58.76 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.475 -179.47 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 585' ' ' GLN . . . . . . . . . . . . . 24.9 mm-40 -65.11 -56.87 10.47 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.408 -0.517 . . . . 0.0 109.956 179.59 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 586' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.25 -37.98 66.15 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.728 -0.669 . . . . 0.0 112.717 179.924 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 587' ' ' HIS . . . . . 0.566 ' HB3' ' O ' ' A' ' 583' ' ' GLU . 0.2 OUTLIER -67.3 -34.76 78.04 Favored 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 -179.424 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 588' ' ' LYS . . . . . 0.614 ' HB3' ' CZ2' ' A' ' 571' ' ' TRP . 0.0 OUTLIER -68.34 -31.33 70.66 Favored 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 108.52 -0.919 . . . . 0.0 108.52 177.553 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 589' ' ' ARG . . . . . 0.517 ' N ' ' HG3' ' A' ' 588' ' ' LYS . 0.0 OUTLIER -55.06 -28.54 53.13 Favored 'General case' 0 N--CA 1.456 -0.167 0 CA-C-N 114.593 -1.185 . . . . 0.0 111.186 179.835 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 590' ' ' THR . . . . . . . . . . . . . 7.1 t -128.69 35.89 4.3 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.146 -179.715 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 591' ' ' HIS . . . . . 0.424 ' NE2' ' CD1' ' A' ' 571' ' ' TRP . 4.5 t-80 -70.28 129.47 39.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.507 179.73 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 592' ' ' THR . . . . . . . . . . . . . 5.3 p 60.13 43.56 14.03 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.813 -179.524 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 593' ' ' GLY . . . . . . . . . . . . . . . 79.49 -153.19 36.71 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.47 -179.979 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 594' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 60.94 156.49 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.877 0.37 . . . . 0.0 110.867 -179.999 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 595' ' ' LYS . . . . . . . . . . . . . 10.3 tttt . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.245 -0.883 . . . . 0.0 110.904 -179.979 . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 565' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.398 0 CA-C-O 120.683 0.278 . . . . 0.0 111.096 . . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 566' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -82.05 47.86 2.63 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.721 2.281 . . . . 0.0 112.853 -179.786 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 567' ' ' PHE . . . . . . . . . . . . . 53.6 m-85 -129.35 90.98 3.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.475 -0.329 . . . . 0.0 110.824 179.801 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 568' ' ' MET . . . . . . . . . . . . . 1.5 ptp -136.08 133.13 37.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.959 -179.888 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 569' ' ' CYS . . . . . 0.43 ' N ' ' CD2' ' A' ' 584' ' ' LEU . 0.5 OUTLIER -61.53 132.92 54.92 Favored 'General case' 0 CA--C 1.532 0.277 0 N-CA-C 109.765 -0.457 . . . . 0.0 109.765 179.635 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 68.5 p -85.18 39.46 0.77 Allowed 'General case' 0 N--CA 1.464 0.241 0 N-CA-C 112.903 0.705 . . . . 0.0 112.903 -178.135 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 571' ' ' TRP . . . . . 0.492 ' CD1' ' CE1' ' A' ' 591' ' ' HIS . 0.8 OUTLIER -72.39 -176.92 2.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.906 0.384 . . . . 0.0 111.069 179.624 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 13.1 m -88.26 -34.38 17.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.191 -179.742 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 573' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -157.23 52.47 0.48 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.85 0.357 . . . . 0.0 111.356 -179.783 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 574' ' ' CYS . . . . . . . . . . . . . 47.9 t -86.3 -44.14 12.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.523 179.648 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . 56.43 54.71 34.05 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.653 179.831 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 576' ' ' LYS . . . . . 0.408 ' HD2' ' CZ ' ' A' ' 578' ' ' PHE . 0.7 OUTLIER -145.23 115.11 7.36 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-O 120.798 0.332 . . . . 0.0 110.976 179.865 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 3.3 mtt180 -89.46 163.63 15.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.548 179.844 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 578' ' ' PHE . . . . . 0.441 ' CD2' ' HB3' ' A' ' 583' ' ' GLU . 64.0 m-85 -139.6 163.77 31.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.131 0.491 . . . . 0.0 111.804 -179.174 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 579' ' ' THR . . . . . . . . . . . . . 60.8 m -108.32 -9.76 15.43 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.925 179.577 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 580' ' ' ARG . . . . . . . . . . . . . 15.9 mmm180 -146.0 137.13 24.63 Favored 'General case' 0 N--CA 1.456 -0.164 0 CA-C-O 120.786 0.327 . . . . 0.0 110.662 179.943 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 581' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.97 -30.19 63.89 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.891 -179.953 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -55.95 -40.51 73.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.339 -179.789 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 583' ' ' GLU . . . . . 0.467 ' O ' ' HB3' ' A' ' 587' ' ' HIS . 4.2 tp10 -55.35 -53.22 58.9 Favored 'General case' 0 CA--C 1.51 -0.592 0 CA-C-O 120.824 0.345 . . . . 0.0 111.028 179.916 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 584' ' ' LEU . . . . . 0.437 ' O ' ' HB3' ' A' ' 588' ' ' LYS . 0.7 OUTLIER -53.98 -32.97 55.71 Favored 'General case' 0 C--N 1.318 -0.773 0 C-N-CA 120.565 -0.454 . . . . 0.0 110.944 -179.463 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 585' ' ' GLN . . . . . 0.432 ' O ' ' HG2' ' A' ' 588' ' ' LYS . 20.7 mm-40 -65.15 -55.66 17.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.168 0.509 . . . . 0.0 109.816 178.863 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 586' ' ' ARG . . . . . 0.427 ' HA ' ' HB2' ' A' ' 589' ' ' ARG . 0.0 OUTLIER -72.74 -40.78 65.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.725 -0.67 . . . . 0.0 112.403 179.971 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 587' ' ' HIS . . . . . 0.53 ' CE1' ' CD2' ' A' ' 591' ' ' HIS . 0.1 OUTLIER -64.83 -45.42 86.23 Favored 'General case' 0 CA--C 1.521 -0.135 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 -179.567 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 588' ' ' LYS . . . . . 0.483 ' HB2' ' CZ2' ' A' ' 571' ' ' TRP . 13.9 ptmt -66.42 -32.04 73.17 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 178.123 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 589' ' ' ARG . . . . . 0.427 ' HB2' ' HA ' ' A' ' 586' ' ' ARG . 0.4 OUTLIER -46.54 -29.03 1.6 Allowed 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 114.885 -1.052 . . . . 0.0 111.221 179.834 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 590' ' ' THR . . . . . . . . . . . . . 4.5 t -130.14 44.51 2.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.707 -179.914 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 591' ' ' HIS . . . . . 0.685 ' CG ' ' O ' ' A' ' 591' ' ' HIS . 1.5 t60 -172.23 28.1 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.361 0 CA-C-O 121.298 0.57 . . . . 0.0 110.661 -179.477 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 592' ' ' THR . . . . . . . . . . . . . 61.5 m -109.2 -30.52 7.98 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 179.555 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 593' ' ' GLY . . . . . . . . . . . . . . . 103.76 -26.96 21.65 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.459 -179.868 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 594' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -147.4 31.63 0.9 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.78 0.324 . . . . 0.0 110.795 179.967 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 595' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.252 -0.88 . . . . 0.0 110.868 -179.938 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' A' A ' 565' ' ' ARG . . . . . 0.429 ' HB3' ' CE2' ' A' ' 567' ' ' PHE . 25.9 mmt180 . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.711 0.291 . . . . 0.0 111.195 . . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 566' ' ' PRO . . . . . . . . . . . . . 94.0 Cg_endo -84.87 45.87 1.75 Allowed 'Trans proline' 0 N--CA 1.461 -0.392 0 C-N-CA 122.884 2.389 . . . . 0.0 112.795 -179.692 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 567' ' ' PHE . . . . . 0.429 ' CE2' ' HB3' ' A' ' 565' ' ' ARG . 11.6 m-85 -129.54 107.14 9.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.549 179.729 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 568' ' ' MET . . . . . . . . . . . . . 11.9 ptt? -147.45 104.79 3.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.857 0.361 . . . . 0.0 111.249 -179.839 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 569' ' ' CYS . . . . . 0.525 ' SG ' ' CE2' ' A' ' 571' ' ' TRP . 1.7 t -72.3 100.47 2.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.654 179.71 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 17.3 p -131.46 49.75 2.29 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.503 179.258 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 571' ' ' TRP . . . . . 0.525 ' CE2' ' SG ' ' A' ' 569' ' ' CYS . 3.2 m95 -40.15 -86.53 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 120.323 -0.551 . . . . 0.0 111.02 -179.217 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 572' ' ' SER . . . . . 0.401 ' H ' ' HB2' ' A' ' 571' ' ' TRP . 1.2 m -103.43 -47.14 4.37 Favored 'General case' 0 C--N 1.333 -0.11 0 CA-C-O 120.886 0.374 . . . . 0.0 110.975 179.811 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 573' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -163.88 60.47 0.16 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.003 -179.686 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 574' ' ' CYS . . . . . . . . . . . . . 22.9 t -84.51 -49.38 8.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.626 179.859 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . 63.01 67.0 2.25 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.444 -179.962 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 576' ' ' LYS . . . . . . . . . . . . . 4.0 tttt -166.63 122.54 1.2 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.865 0.364 . . . . 0.0 110.929 179.909 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 9.0 mtt180 -89.92 163.53 14.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.986 -179.914 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 578' ' ' PHE . . . . . 0.434 ' CD1' ' HG2' ' A' ' 583' ' ' GLU . 35.1 m-85 -138.33 163.48 31.73 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.904 -179.875 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 579' ' ' THR . . . . . . . . . . . . . 7.4 m -114.2 -9.87 12.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.306 179.924 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 580' ' ' ARG . . . . . . . . . . . . . 3.8 mmt85 -138.44 137.11 36.89 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.837 0.351 . . . . 0.0 110.943 -180.0 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 581' ' ' SER . . . . . . . . . . . . . 7.3 t -60.29 -39.02 85.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.76 179.799 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -53.92 -35.92 62.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.236 179.984 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 583' ' ' GLU . . . . . 0.591 ' O ' ' HB3' ' A' ' 587' ' ' HIS . 3.9 tp10 -55.52 -56.16 23.55 Favored 'General case' 0 CA--C 1.511 -0.539 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.107 179.998 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 584' ' ' LEU . . . . . 0.478 ' O ' ' HB3' ' A' ' 588' ' ' LYS . 2.4 mp -56.7 -33.2 66.24 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.321 -179.576 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 585' ' ' GLN . . . . . 0.499 ' O ' ' HG2' ' A' ' 588' ' ' LYS . 0.2 OUTLIER -61.4 -56.74 16.95 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.113 0.482 . . . . 0.0 110.034 179.398 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 586' ' ' ARG . . . . . . . . . . . . . 2.4 ptp180 -74.98 -40.67 60.59 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.906 -0.588 . . . . 0.0 112.172 179.65 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 587' ' ' HIS . . . . . 0.591 ' HB3' ' O ' ' A' ' 583' ' ' GLU . 0.9 OUTLIER -64.03 -44.7 91.74 Favored 'General case' 0 N--CA 1.456 -0.168 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 -179.23 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 588' ' ' LYS . . . . . 0.499 ' HG2' ' O ' ' A' ' 585' ' ' GLN . 44.5 pttt -61.95 -32.21 72.62 Favored 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 177.848 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 589' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -48.83 -27.15 2.82 Favored 'General case' 0 C--O 1.231 0.108 0 CA-C-N 114.656 -1.156 . . . . 0.0 111.431 179.797 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 590' ' ' THR . . . . . . . . . . . . . 3.7 t -124.75 44.08 2.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.976 -179.705 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 591' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -105.34 -71.26 0.75 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.145 -179.959 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 592' ' ' THR . . . . . . . . . . . . . 29.4 p -57.57 -28.91 63.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.034 -179.928 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 593' ' ' GLY . . . . . . . . . . . . . . . 88.74 26.69 26.38 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.384 -179.886 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 594' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -154.38 74.34 0.95 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.874 0.369 . . . . 0.0 110.813 -179.968 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 595' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.268 -0.872 . . . . 0.0 110.944 -179.938 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 566' ' ' PRO . . . . . 0.41 ' HD2' ' CE2' ' A' ' 567' ' ' PHE . 93.6 Cg_endo . . . . . 0 N--CA 1.464 -0.259 0 N-CA-C 112.834 0.282 . . . . 0.0 112.834 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 567' ' ' PHE . . . . . 0.41 ' CE2' ' HD2' ' A' ' 566' ' ' PRO . 12.5 m-85 -129.41 91.21 3.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.68 179.8 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 568' ' ' MET . . . . . . . . . . . . . 3.9 mtt -129.34 133.24 47.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.168 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 569' ' ' CYS . . . . . 0.422 ' HA ' HD22 ' A' ' 584' ' ' LEU . 7.4 p -66.81 146.13 54.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.111 179.478 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 77.6 p -73.13 -28.02 62.02 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.641 -179.182 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 571' ' ' TRP . . . . . 0.44 ' CE3' ' HD3' ' A' ' 588' ' ' LYS . 2.8 m-90 -56.39 103.83 0.12 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.818 0.342 . . . . 0.0 110.941 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 48.9 m -60.35 -46.27 90.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.905 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 573' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -59.29 -27.74 66.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 574' ' ' CYS . . . . . 0.434 ' HB2' ' CE1' ' A' ' 591' ' ' HIS . 49.5 t -59.07 -50.21 74.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.993 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . 53.71 59.85 9.16 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.406 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 576' ' ' LYS . . . . . 0.407 ' HD3' ' CZ ' ' A' ' 578' ' ' PHE . 1.0 OUTLIER -155.44 126.66 7.17 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-O 120.873 0.368 . . . . 0.0 110.96 -179.826 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.51 163.57 15.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.739 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 578' ' ' PHE . . . . . 0.407 ' CZ ' ' HD3' ' A' ' 576' ' ' LYS . 25.3 m-85 -134.27 163.76 28.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.17 -179.677 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 579' ' ' THR . . . . . . . . . . . . . 14.1 m -111.62 -15.65 13.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.303 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 580' ' ' ARG . . . . . . . . . . . . . 17.1 mmt180 -127.57 137.15 52.51 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.872 0.368 . . . . 0.0 110.789 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 581' ' ' SER . . . . . 0.43 ' HA ' HD12 ' A' ' 584' ' ' LEU . 94.2 p -62.97 -38.88 92.88 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.65 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -55.81 -36.84 67.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.456 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 583' ' ' GLU . . . . . 0.545 ' O ' ' HB3' ' A' ' 587' ' ' HIS . 3.0 tp10 -55.35 -55.42 31.75 Favored 'General case' 0 CA--C 1.511 -0.525 0 CA-C-O 120.884 0.373 . . . . 0.0 111.029 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 584' ' ' LEU . . . . . 0.49 ' O ' ' HB2' ' A' ' 588' ' ' LYS . 1.3 mt -56.39 -36.92 69.43 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.54 -179.446 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 585' ' ' GLN . . . . . . . . . . . . . 26.2 mm-40 -59.4 -56.36 23.01 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.06 0.457 . . . . 0.0 109.969 179.441 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 586' ' ' ARG . . . . . 0.488 ' HG3' ' N ' ' A' ' 587' ' ' HIS . 9.9 ptm180 -72.68 -42.21 64.53 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.658 -0.701 . . . . 0.0 112.46 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 587' ' ' HIS . . . . . 0.545 ' HB3' ' O ' ' A' ' 583' ' ' GLU . 0.1 OUTLIER -64.47 -50.39 67.67 Favored 'General case' 0 CA--C 1.522 -0.127 0 N-CA-C 109.735 -0.468 . . . . 0.0 109.735 -179.425 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 588' ' ' LYS . . . . . 0.49 ' HB2' ' O ' ' A' ' 584' ' ' LEU . 7.4 mttp -62.57 -28.41 69.86 Favored 'General case' 0 N--CA 1.454 -0.267 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 178.145 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 589' ' ' ARG . . . . . 0.441 ' HB2' ' HA ' ' A' ' 586' ' ' ARG . 0.0 OUTLIER -48.22 -27.48 2.47 Favored 'General case' 0 C--O 1.231 0.119 0 CA-C-N 115.295 -0.866 . . . . 0.0 111.348 179.764 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 590' ' ' THR . . . . . . . . . . . . . 9.8 t -127.34 23.87 6.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.494 -179.582 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 591' ' ' HIS . . . . . 0.434 ' CE1' ' HB2' ' A' ' 574' ' ' CYS . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.32 0 CA-C-O 120.779 0.323 . . . . 0.0 110.741 179.817 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 566' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo . . . . . 0 C--O 1.231 0.164 0 CA-C-O 120.906 0.294 . . . . 0.0 112.442 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 567' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -129.24 111.07 12.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.63 179.682 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 568' ' ' MET . . . . . . . . . . . . . 2.2 ttp -132.91 126.93 33.21 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.069 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 569' ' ' CYS . . . . . 0.493 ' CA ' HD22 ' A' ' 584' ' ' LEU . 8.5 p -62.26 146.52 50.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.254 179.598 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 36.7 p -73.09 -20.46 60.95 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.727 -179.257 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 571' ' ' TRP . . . . . 0.449 ' CE2' ' HB3' ' A' ' 591' ' ' HIS . 1.2 m-90 -56.48 152.24 11.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.792 0.33 . . . . 0.0 110.936 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -101.52 -32.51 10.35 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.612 -179.347 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 573' ' ' TYR . . . . . . . . . . . . . 50.6 p90 -94.82 26.67 3.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.727 0.299 . . . . 0.0 111.419 -179.734 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 574' ' ' CYS . . . . . 0.409 ' HB2' ' CE1' ' A' ' 591' ' ' HIS . 53.9 t -101.65 -50.23 3.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.839 0.352 . . . . 0.0 110.63 179.637 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . 51.96 52.63 34.13 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.966 -0.635 . . . . 0.0 112.781 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 576' ' ' LYS . . . . . . . . . . . . . 2.2 mtpp -145.98 129.66 17.08 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-O 120.84 0.352 . . . . 0.0 111.058 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 5.5 mtt85 -89.52 163.46 15.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.532 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 578' ' ' PHE . . . . . 0.588 ' CD1' HD21 ' A' ' 584' ' ' LEU . 49.8 m-85 -135.54 163.7 29.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.982 0.42 . . . . 0.0 111.303 -179.575 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 579' ' ' THR . . . . . . . . . . . . . 29.7 m -113.62 -15.55 12.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.154 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 580' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -129.23 137.08 50.89 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.779 0.323 . . . . 0.0 110.73 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 581' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.95 -43.95 97.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.8 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -52.63 -35.63 55.06 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.215 -179.804 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 583' ' ' GLU . . . . . 0.5 ' O ' ' HB3' ' A' ' 587' ' ' HIS . 3.1 tp10 -55.33 -55.33 32.78 Favored 'General case' 0 CA--C 1.511 -0.529 0 CA-C-O 120.904 0.383 . . . . 0.0 110.956 179.81 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 584' ' ' LEU . . . . . 0.588 HD21 ' CD1' ' A' ' 578' ' ' PHE . 13.0 mt -55.68 -39.36 70.89 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.481 -179.391 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 585' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -56.59 -55.64 31.37 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.18 0.514 . . . . 0.0 109.844 179.562 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 586' ' ' ARG . . . . . 0.453 ' HA ' ' HB2' ' A' ' 589' ' ' ARG . 13.3 mtt180 -72.57 -45.83 57.32 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.543 -0.753 . . . . 0.0 112.223 179.77 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 587' ' ' HIS . . . . . 0.5 ' HB3' ' O ' ' A' ' 583' ' ' GLU . 0.1 OUTLIER -60.73 -50.53 73.1 Favored 'General case' 0 CA--C 1.521 -0.171 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 -179.506 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 588' ' ' LYS . . . . . 0.495 ' HB2' ' O ' ' A' ' 584' ' ' LEU . 4.1 mttp -60.73 -28.46 68.69 Favored 'General case' 0 N--CA 1.452 -0.325 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 178.007 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 589' ' ' ARG . . . . . 0.453 ' HB2' ' HA ' ' A' ' 586' ' ' ARG . 0.3 OUTLIER -55.22 -31.51 61.54 Favored 'General case' 0 N--CA 1.457 -0.118 0 CA-C-N 115.294 -0.866 . . . . 0.0 111.035 179.552 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 590' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -111.42 9.22 21.43 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.474 -179.789 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 591' ' ' HIS . . . . . 0.466 ' HB2' ' HA ' ' A' ' 588' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.256 0 CA-C-O 120.792 0.33 . . . . 0.0 110.927 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 566' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo . . . . . 0 C--O 1.231 0.173 0 CA-C-O 120.874 0.281 . . . . 0.0 112.551 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 567' ' ' PHE . . . . . 0.404 ' CE2' ' HB2' ' A' ' 581' ' ' SER . 8.1 m-85 -123.39 90.91 3.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.458 179.666 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 568' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -82.28 123.11 28.76 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.466 -179.448 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 569' ' ' CYS . . . . . 0.712 ' HA ' HD23 ' A' ' 584' ' ' LEU . 11.9 p -64.59 152.09 42.98 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 178.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 32.7 p -73.02 -18.6 61.32 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 111.814 0.301 . . . . 0.0 111.814 -178.851 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 571' ' ' TRP . . . . . 0.449 ' CZ3' ' HB2' ' A' ' 588' ' ' LYS . 2.7 m-90 -63.86 98.02 0.18 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.855 0.359 . . . . 0.0 110.658 179.568 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -53.99 -46.86 71.85 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.249 -179.768 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 573' ' ' TYR . . . . . . . . . . . . . 36.6 m-85 -55.7 -22.92 25.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.109 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 574' ' ' CYS . . . . . 0.429 ' HB2' ' CE1' ' A' ' 591' ' ' HIS . 37.1 t -79.3 -50.22 11.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.041 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . 52.41 27.57 25.7 Favored Glycine 0 C--N 1.331 0.284 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.524 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 576' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -102.92 160.19 14.83 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-O 120.891 0.377 . . . . 0.0 111.186 -179.638 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 3.0 mtm180 -114.24 163.49 15.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.542 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 578' ' ' PHE . . . . . 0.713 ' HB2' HD11 ' A' ' 584' ' ' LEU . 82.0 m-85 -141.58 163.69 32.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.977 0.418 . . . . 0.0 111.384 -179.745 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 579' ' ' THR . . . . . . . . . . . . . 6.5 m -106.29 -11.45 16.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.15 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 580' ' ' ARG . . . . . . . . . . . . . 21.5 mmt85 -137.82 145.53 42.39 Favored 'General case' 0 N--CA 1.456 -0.152 0 CA-C-O 120.903 0.382 . . . . 0.0 110.923 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 581' ' ' SER . . . . . 0.404 ' HB2' ' CE2' ' A' ' 567' ' ' PHE . 0.8 OUTLIER -68.49 -43.09 77.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.759 179.921 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -52.71 -34.86 54.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.149 -179.852 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 583' ' ' GLU . . . . . 0.532 ' O ' ' HB3' ' A' ' 587' ' ' HIS . 4.1 tp10 -55.76 -55.26 34.43 Favored 'General case' 0 CA--C 1.511 -0.533 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.822 179.68 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 584' ' ' LEU . . . . . 0.713 HD11 ' HB2' ' A' ' 578' ' ' PHE . 7.4 mp -54.87 -39.46 68.69 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.358 -179.514 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 585' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -57.69 -56.24 24.46 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.195 0.522 . . . . 0.0 110.091 179.553 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 586' ' ' ARG . . . . . 0.45 ' HA ' ' HB2' ' A' ' 589' ' ' ARG . 2.0 mtm180 -72.57 -42.61 64.45 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.486 -0.779 . . . . 0.0 112.272 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 587' ' ' HIS . . . . . 0.532 ' HB3' ' O ' ' A' ' 583' ' ' GLU . 0.1 OUTLIER -64.23 -49.24 72.71 Favored 'General case' 0 CA--C 1.521 -0.17 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 -179.575 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 588' ' ' LYS . . . . . 0.452 ' CG ' ' O ' ' A' ' 584' ' ' LEU . 0.0 OUTLIER -62.23 -29.82 70.66 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 178.088 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 589' ' ' ARG . . . . . 0.45 ' HB2' ' HA ' ' A' ' 586' ' ' ARG . 0.1 OUTLIER -49.14 -29.86 5.93 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-N 114.781 -1.099 . . . . 0.0 111.165 179.571 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 590' ' ' THR . . . . . . . . . . . . . 5.3 t -125.86 36.42 4.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.822 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 591' ' ' HIS . . . . . 0.438 ' HB2' ' HA ' ' A' ' 588' ' ' LYS . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.899 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 566' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo . . . . . 0 N--CA 1.463 -0.278 0 N-CA-C 112.899 0.307 . . . . 0.0 112.899 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 567' ' ' PHE . . . . . 0.725 ' HB3' HD11 ' A' ' 584' ' ' LEU . 45.2 m-85 -129.4 102.92 6.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.686 179.667 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 568' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -134.45 119.11 18.13 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.149 -179.873 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 569' ' ' CYS . . . . . . . . . . . . . 4.1 p -60.44 137.14 58.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.1 179.514 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 72.8 p -72.96 -13.06 61.17 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 111.877 0.325 . . . . 0.0 111.877 -178.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 571' ' ' TRP . . . . . 0.431 ' CE2' ' HB3' ' A' ' 591' ' ' HIS . 4.9 m-90 -65.06 101.89 0.57 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.818 0.342 . . . . 0.0 110.848 179.819 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -57.38 -46.87 82.94 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.047 -179.821 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 573' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -55.95 -23.49 32.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.974 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 574' ' ' CYS . . . . . 0.447 ' HB2' ' CE1' ' A' ' 591' ' ' HIS . 35.6 t -74.26 -50.27 19.72 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.048 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . 52.45 57.08 14.64 Favored Glycine 0 C--N 1.33 0.238 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.477 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 576' ' ' LYS . . . . . . . . . . . . . 15.0 mttp -145.4 147.79 32.64 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-O 120.865 0.364 . . . . 0.0 111.077 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 29.6 mtt180 -102.21 163.49 12.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.603 179.706 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 578' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -138.88 160.22 40.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.928 0.394 . . . . 0.0 111.285 -179.719 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 579' ' ' THR . . . . . . . . . . . . . 60.4 m -116.55 -7.89 11.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.154 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 580' ' ' ARG . . . . . 0.459 ' HD2' ' N ' ' A' ' 580' ' ' ARG . 2.9 mpt_? -128.77 136.96 51.26 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-O 120.73 0.3 . . . . 0.0 110.69 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 581' ' ' SER . . . . . 0.444 ' O ' ' NE2' ' A' ' 585' ' ' GLN . 10.0 t -64.86 -47.56 77.46 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.749 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -52.7 -33.29 47.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.255 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 583' ' ' GLU . . . . . 0.653 ' O ' ' HB3' ' A' ' 587' ' ' HIS . 3.4 tt0 -55.04 -55.51 30.11 Favored 'General case' 0 CA--C 1.512 -0.503 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.197 -179.821 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 584' ' ' LEU . . . . . 0.725 HD11 ' HB3' ' A' ' 567' ' ' PHE . 1.7 mt -59.93 -35.13 74.25 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.636 -179.061 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 585' ' ' GLN . . . . . 0.444 ' NE2' ' O ' ' A' ' 581' ' ' SER . 0.1 OUTLIER -61.37 -56.52 19.41 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.519 -0.472 . . . . 0.0 109.953 179.724 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 586' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.84 -41.04 65.22 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.694 -0.685 . . . . 0.0 112.41 179.755 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 587' ' ' HIS . . . . . 0.653 ' HB3' ' O ' ' A' ' 583' ' ' GLU . 0.2 OUTLIER -65.25 -48.21 74.04 Favored 'General case' 0 C--O 1.231 0.114 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 -179.596 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 588' ' ' LYS . . . . . 0.441 ' HB2' ' O ' ' A' ' 584' ' ' LEU . 78.3 mttt -61.44 -28.67 69.43 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 108.933 -0.765 . . . . 0.0 108.933 178.104 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 589' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -49.23 -27.59 3.84 Favored 'General case' 0 N--CA 1.458 -0.074 0 CA-C-N 115.309 -0.86 . . . . 0.0 111.286 179.791 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 590' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -103.23 -17.98 15.1 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.26 -179.825 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 591' ' ' HIS . . . . . 0.447 ' CE1' ' HB2' ' A' ' 574' ' ' CYS . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.948 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 566' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo . . . . . 0 N--CA 1.463 -0.316 0 CA-C-O 120.746 0.227 . . . . 0.0 112.597 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 567' ' ' PHE . . . . . 0.762 ' HB3' HD11 ' A' ' 584' ' ' LEU . 23.7 m-85 -129.41 100.51 5.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.743 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 568' ' ' MET . . . . . 0.417 ' HG2' HG23 ' A' ' 570' ' ' THR . 25.4 ttt -147.36 95.78 2.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.491 -179.843 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 569' ' ' CYS . . . . . . . . . . . . . 27.5 t -77.17 81.2 3.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.176 179.381 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 570' ' ' THR . . . . . 0.417 HG23 ' HG2' ' A' ' 568' ' ' MET . 24.0 p -73.28 -23.31 60.29 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.669 -179.392 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 571' ' ' TRP . . . . . 0.472 ' CZ3' ' HE2' ' A' ' 588' ' ' LYS . 0.3 OUTLIER 39.45 -162.74 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 120.754 0.312 . . . . 0.0 111.691 -179.848 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 75.5 m -73.05 -24.32 60.68 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.823 0.344 . . . . 0.0 110.628 179.529 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 573' ' ' TYR . . . . . . . . . . . . . 49.9 p90 -172.84 38.35 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.994 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 574' ' ' CYS . . . . . 0.427 ' HB2' ' HB2' ' A' ' 571' ' ' TRP . 33.9 t -78.49 -50.16 12.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.835 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . 56.4 79.93 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.441 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 576' ' ' LYS . . . . . . . . . . . . . 7.9 mttm -168.46 143.63 3.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.854 0.359 . . . . 0.0 110.814 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 2.6 mtt85 -109.13 159.19 17.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.89 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 578' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -136.61 163.66 30.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.159 -179.727 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 579' ' ' THR . . . . . . . . . . . . . 7.4 m -118.31 -8.38 10.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.267 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 580' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -131.21 137.09 48.78 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.811 0.339 . . . . 0.0 110.781 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 581' ' ' SER . . . . . 0.445 ' HB3' ' CE1' ' A' ' 567' ' ' PHE . 12.6 p -62.73 -41.63 99.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.813 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -54.04 -36.37 62.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.309 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 583' ' ' GLU . . . . . 0.599 ' O ' ' HB3' ' A' ' 587' ' ' HIS . 4.8 tt0 -55.24 -55.08 35.36 Favored 'General case' 0 CA--C 1.513 -0.46 0 CA-C-O 120.847 0.356 . . . . 0.0 111.071 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 584' ' ' LEU . . . . . 0.762 HD11 ' HB3' ' A' ' 567' ' ' PHE . 5.3 mt -57.97 -35.3 70.98 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.717 -179.31 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 585' ' ' GLN . . . . . . . . . . . . . 26.1 mm-40 -62.18 -56.76 15.56 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 120.404 -0.518 . . . . 0.0 110.009 179.789 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 586' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.04 -39.44 65.93 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.909 0.707 . . . . 0.0 112.909 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 587' ' ' HIS . . . . . 0.599 ' HB3' ' O ' ' A' ' 583' ' ' GLU . 0.6 OUTLIER -67.75 -49.84 60.41 Favored 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 -179.389 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 588' ' ' LYS . . . . . 0.472 ' HE2' ' CZ3' ' A' ' 571' ' ' TRP . 93.9 mttt -60.74 -28.44 68.69 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 108.731 -0.841 . . . . 0.0 108.731 177.787 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 589' ' ' ARG . . . . . . . . . . . . . 2.9 tpt180 -50.28 -30.11 11.14 Favored 'General case' 0 C--O 1.231 0.081 0 CA-C-N 115.173 -0.921 . . . . 0.0 111.201 179.551 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 590' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -97.5 -21.25 17.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.267 -179.624 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 591' ' ' HIS . . . . . 0.451 ' NE2' ' CE1' ' A' ' 587' ' ' HIS . 1.0 OUTLIER . . . . . 0 C--N 1.327 -0.406 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.883 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 566' ' ' PRO . . . . . 0.414 ' HD2' ' CE2' ' A' ' 567' ' ' PHE . 84.2 Cg_endo . . . . . 0 N--CA 1.464 -0.256 0 CA-C-O 120.721 0.217 . . . . 0.0 112.633 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 567' ' ' PHE . . . . . 0.622 ' HB3' HD11 ' A' ' 584' ' ' LEU . 18.8 m-85 -129.27 110.22 11.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.875 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 568' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -147.21 123.85 11.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.031 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 569' ' ' CYS . . . . . 0.458 ' N ' ' CD2' ' A' ' 584' ' ' LEU . 7.7 p -58.91 149.2 27.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.328 179.769 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 52.8 p -91.77 21.04 5.06 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 111.791 0.293 . . . . 0.0 111.791 -179.358 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 571' ' ' TRP . . . . . 0.472 ' CH2' ' HB2' ' A' ' 588' ' ' LYS . 4.7 m-90 -89.11 108.21 19.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.796 0.331 . . . . 0.0 110.807 179.644 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 31.5 t -54.13 -46.9 72.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.136 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 573' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -60.07 -24.45 64.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.887 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 574' ' ' CYS . . . . . 0.44 ' HB2' ' CE1' ' A' ' 591' ' ' HIS . 8.6 t -84.51 -50.4 7.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.997 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . 47.72 27.47 4.65 Favored Glycine 0 C--N 1.331 0.286 0 C-N-CA 120.919 -0.657 . . . . 0.0 112.936 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 576' ' ' LYS . . . . . . . . . . . . . 38.3 mttm -100.37 -179.87 4.24 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-O 120.933 0.397 . . . . 0.0 111.24 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 53.5 mtt180 -136.83 163.48 30.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.654 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 578' ' ' PHE . . . . . 0.445 ' CZ ' ' HG2' ' A' ' 583' ' ' GLU . 3.4 m-85 -144.6 164.07 32.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.024 0.44 . . . . 0.0 111.358 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 579' ' ' THR . . . . . . . . . . . . . 32.5 m -107.96 -6.83 16.41 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.258 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 580' ' ' ARG . . . . . . . . . . . . . 5.1 mmm180 -133.12 137.11 46.18 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.907 0.384 . . . . 0.0 110.987 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 581' ' ' SER . . . . . 0.553 ' HA ' HD12 ' A' ' 584' ' ' LEU . 5.5 p -62.74 -37.02 84.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.831 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -58.23 -34.92 70.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.419 -179.752 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 583' ' ' GLU . . . . . 0.622 ' O ' ' HB3' ' A' ' 587' ' ' HIS . 3.5 tt0 -55.18 -55.42 31.43 Favored 'General case' 0 CA--C 1.51 -0.588 0 CA-C-O 120.848 0.356 . . . . 0.0 110.95 -179.861 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 584' ' ' LEU . . . . . 0.622 HD11 ' HB3' ' A' ' 567' ' ' PHE . 0.3 OUTLIER -57.01 -38.28 72.89 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.684 -179.154 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 585' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 -59.64 -56.4 22.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.13 0.49 . . . . 0.0 110.244 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 586' ' ' ARG . . . . . 0.443 ' O ' ' HB2' ' A' ' 589' ' ' ARG . 4.0 ptt180 -72.73 -41.02 65.64 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.678 -0.692 . . . . 0.0 112.467 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 587' ' ' HIS . . . . . 0.622 ' HB3' ' O ' ' A' ' 583' ' ' GLU . 0.2 OUTLIER -64.8 -42.29 95.15 Favored 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 109.419 -0.585 . . . . 0.0 109.419 -179.522 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 588' ' ' LYS . . . . . 0.494 ' HG2' ' O ' ' A' ' 584' ' ' LEU . 10.6 ptpt -63.97 -32.86 74.54 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 178.205 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 589' ' ' ARG . . . . . 0.443 ' HB2' ' O ' ' A' ' 586' ' ' ARG . 0.0 OUTLIER -48.4 -27.55 2.68 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-N 114.776 -1.102 . . . . 0.0 111.091 179.735 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 590' ' ' THR . . . . . . . . . . . . . 3.8 t -123.05 37.37 4.43 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.816 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 591' ' ' HIS . . . . . 0.44 ' CE1' ' HB2' ' A' ' 574' ' ' CYS . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.835 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 566' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_endo . . . . . 0 N--CA 1.463 -0.315 0 CA-C-O 120.775 0.239 . . . . 0.0 112.635 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 567' ' ' PHE . . . . . 0.443 ' HB3' ' CD2' ' A' ' 584' ' ' LEU . 24.6 m-85 -129.4 110.19 11.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.802 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 568' ' ' MET . . . . . . . . . . . . . 7.0 ptt? -147.5 97.31 2.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.733 0.301 . . . . 0.0 111.468 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 569' ' ' CYS . . . . . . . . . . . . . 15.0 t -71.69 80.97 0.85 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.882 0.372 . . . . 0.0 110.136 179.341 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 70.2 p -73.27 -23.05 60.26 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.595 -179.504 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 571' ' ' TRP . . . . . 0.528 ' CZ2' ' HB2' ' A' ' 588' ' ' LYS . 0.2 OUTLIER 40.94 -163.15 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 120.788 0.328 . . . . 0.0 111.44 -179.842 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 1.7 m -71.8 -24.32 61.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.811 0.338 . . . . 0.0 110.7 179.509 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 573' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -172.33 38.78 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.896 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 574' ' ' CYS . . . . . 0.438 ' CB ' ' HB2' ' A' ' 571' ' ' TRP . 26.5 t -80.46 -50.09 10.54 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.908 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . 56.28 76.27 0.21 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.284 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 576' ' ' LYS . . . . . . . . . . . . . 7.7 tttm -164.93 147.35 8.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.777 0.323 . . . . 0.0 110.906 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 3.5 mtt180 -108.77 163.51 13.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.93 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 578' ' ' PHE . . . . . . . . . . . . . 45.8 m-85 -142.27 163.64 32.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.959 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 579' ' ' THR . . . . . . . . . . . . . 30.8 m -112.15 -9.08 13.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.378 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 580' ' ' ARG . . . . . . . . . . . . . 23.8 mmt85 -131.12 137.08 48.9 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.96 0.409 . . . . 0.0 111.01 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 581' ' ' SER . . . . . 0.428 ' HB3' ' CE1' ' A' ' 567' ' ' PHE . 15.7 p -67.73 -22.44 65.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.083 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 582' ' ' ASP . . . . . 0.444 ' HA ' ' HG2' ' A' ' 585' ' ' GLN . 1.5 m-20 -75.24 -33.46 61.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.345 -179.62 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 583' ' ' GLU . . . . . 0.522 ' O ' ' HB3' ' A' ' 587' ' ' HIS . 2.5 tt0 -55.05 -55.59 29.26 Favored 'General case' 0 CA--C 1.51 -0.58 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.202 -179.618 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 584' ' ' LEU . . . . . 0.572 HD12 ' OE1' ' A' ' 585' ' ' GLN . 0.0 OUTLIER -55.31 -33.17 63.07 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.217 -179.618 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 585' ' ' GLN . . . . . 0.572 ' OE1' HD12 ' A' ' 584' ' ' LEU . 5.5 mm100 -61.63 -56.9 14.81 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.49 -0.484 . . . . 0.0 110.026 179.384 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 586' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.41 -40.3 64.39 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.128 -0.487 . . . . 0.0 112.252 179.784 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 587' ' ' HIS . . . . . 0.522 ' HB3' ' O ' ' A' ' 583' ' ' GLU . 0.2 OUTLIER -64.64 -45.49 86.58 Favored 'General case' 0 C--N 1.332 -0.167 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 -179.608 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 588' ' ' LYS . . . . . 0.528 ' HB2' ' CZ2' ' A' ' 571' ' ' TRP . 0.0 OUTLIER -61.51 -31.16 71.15 Favored 'General case' 0 N--CA 1.455 -0.2 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 177.984 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 589' ' ' ARG . . . . . 0.458 ' N ' ' HG3' ' A' ' 588' ' ' LYS . 0.0 OUTLIER -51.29 -30.68 18.81 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 114.711 -1.132 . . . . 0.0 111.0 179.611 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 590' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -112.69 30.65 6.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.81 -179.838 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 591' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.03 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 566' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo . . . . . 0 C--O 1.231 0.159 0 CA-C-O 120.836 0.265 . . . . 0.0 112.58 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 567' ' ' PHE . . . . . . . . . . . . . 52.4 m-85 -125.9 121.51 33.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.885 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 568' ' ' MET . . . . . 0.574 ' N ' HD11 ' A' ' 584' ' ' LEU . 0.0 OUTLIER -147.2 140.18 25.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.911 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 569' ' ' CYS . . . . . 0.579 ' CA ' HD22 ' A' ' 584' ' ' LEU . 1.8 p -56.83 -170.45 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.518 179.75 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 66.6 p -129.81 0.02 4.83 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.223 0.453 . . . . 0.0 112.223 -179.478 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 571' ' ' TRP . . . . . 0.452 ' CZ2' ' HB3' ' A' ' 591' ' ' HIS . 0.8 OUTLIER -51.08 177.82 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.812 0.339 . . . . 0.0 111.219 -179.951 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -83.49 -46.95 11.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.606 -179.386 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 573' ' ' TYR . . . . . . . . . . . . . 18.0 t80 -135.21 70.45 1.44 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.898 0.38 . . . . 0.0 111.287 -179.683 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 574' ' ' CYS . . . . . . . . . . . . . 41.8 t -101.74 -50.32 3.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 179.759 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . 53.92 57.34 16.71 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.853 -0.689 . . . . 0.0 112.554 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 576' ' ' LYS . . . . . . . . . . . . . 66.9 tttt -152.34 107.65 3.28 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-O 120.826 0.346 . . . . 0.0 111.064 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 577' ' ' ARG . . . . . 0.409 ' O ' ' CD1' ' A' ' 578' ' ' PHE . 6.6 mtt-85 -92.41 158.63 15.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.738 179.823 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 578' ' ' PHE . . . . . 0.53 ' CD2' ' HB3' ' A' ' 583' ' ' GLU . 22.9 m-85 -135.75 164.1 28.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.029 0.443 . . . . 0.0 111.24 -179.86 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 579' ' ' THR . . . . . . . . . . . . . 16.5 m -97.4 -7.49 31.65 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.385 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 580' ' ' ARG . . . . . 0.425 ' HD2' ' N ' ' A' ' 580' ' ' ARG . 3.9 mpt_? -132.51 137.07 47.04 Favored 'General case' 0 N--CA 1.456 -0.143 0 CA-C-O 120.807 0.336 . . . . 0.0 111.03 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 581' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -62.71 -33.81 75.88 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.454 179.683 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -56.29 -37.77 70.31 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.125 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 583' ' ' GLU . . . . . 0.533 ' O ' ' HB3' ' A' ' 587' ' ' HIS . 4.6 tp10 -55.35 -55.63 29.39 Favored 'General case' 0 CA--C 1.508 -0.642 0 CA-C-O 121.028 0.442 . . . . 0.0 110.766 179.741 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 584' ' ' LEU . . . . . 0.579 HD22 ' CA ' ' A' ' 569' ' ' CYS . 83.2 mt -55.07 -34.9 64.0 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.774 -179.241 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 585' ' ' GLN . . . . . . . . . . . . . 25.6 mm-40 -63.12 -56.61 15.32 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.472 -0.491 . . . . 0.0 110.028 179.591 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 586' ' ' ARG . . . . . 0.511 ' O ' ' HB2' ' A' ' 589' ' ' ARG . 0.0 OUTLIER -72.83 -39.62 66.45 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.635 -0.711 . . . . 0.0 112.421 -179.929 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 587' ' ' HIS . . . . . 0.533 ' HB3' ' O ' ' A' ' 583' ' ' GLU . 0.0 OUTLIER -64.17 -36.89 85.54 Favored 'General case' 0 CA--C 1.518 -0.264 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 -179.813 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 588' ' ' LYS . . . . . 0.425 ' HB2' ' O ' ' A' ' 584' ' ' LEU . 29.4 mttt -68.49 -29.49 68.11 Favored 'General case' 0 N--CA 1.448 -0.538 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 177.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 589' ' ' ARG . . . . . 0.511 ' HB2' ' O ' ' A' ' 586' ' ' ARG . 18.6 mmt85 -65.08 -27.91 69.09 Favored 'General case' 0 N--CA 1.456 -0.138 0 CA-C-N 115.375 -0.83 . . . . 0.0 110.861 179.809 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 590' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -105.2 -5.27 20.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.249 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 591' ' ' HIS . . . . . 0.452 ' HB3' ' CZ2' ' A' ' 571' ' ' TRP . 0.2 OUTLIER . . . . . 0 C--N 1.332 -0.156 0 CA-C-O 120.779 0.323 . . . . 0.0 110.978 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 566' ' ' PRO . . . . . 0.422 ' HD2' ' CE2' ' A' ' 567' ' ' PHE . 84.5 Cg_endo . . . . . 0 N--CA 1.464 -0.245 0 N-CA-C 112.789 0.265 . . . . 0.0 112.789 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 567' ' ' PHE . . . . . 0.422 ' CE2' ' HD2' ' A' ' 566' ' ' PRO . 17.6 m-85 -129.46 90.88 3.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.676 179.687 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 568' ' ' MET . . . . . 0.402 ' HB3' ' HG2' ' A' ' 577' ' ' ARG . 5.9 ptt? -136.34 130.57 33.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.005 -179.838 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 569' ' ' CYS . . . . . 0.457 ' HA ' HD23 ' A' ' 584' ' ' LEU . 0.1 OUTLIER -58.23 128.46 37.23 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.173 179.721 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 22.3 p -92.56 23.38 4.06 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 112.304 0.483 . . . . 0.0 112.304 -178.749 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 571' ' ' TRP . . . . . 0.499 ' CZ2' ' HB2' ' A' ' 588' ' ' LYS . 0.8 OUTLIER -52.45 176.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.809 0.337 . . . . 0.0 110.999 179.839 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 55.1 p -57.19 -46.88 82.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.031 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 573' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -167.42 83.51 0.22 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.81 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 574' ' ' CYS . . . . . . . . . . . . . 52.6 t -101.53 -50.23 3.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.916 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . 71.66 55.14 7.69 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.47 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 576' ' ' LYS . . . . . . . . . . . . . 4.7 mtmt -152.67 113.97 4.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.815 0.34 . . . . 0.0 110.883 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 577' ' ' ARG . . . . . 0.414 ' O ' ' CD1' ' A' ' 578' ' ' PHE . 29.5 mtt180 -89.54 159.21 17.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.854 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 578' ' ' PHE . . . . . 0.513 ' CD2' ' HB3' ' A' ' 583' ' ' GLU . 9.4 m-85 -141.73 164.04 31.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.147 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 579' ' ' THR . . . . . 0.406 ' O ' HG22 ' A' ' 579' ' ' THR . 60.0 m -104.07 -7.52 20.19 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.891 -179.462 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 580' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.68 146.13 32.08 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.947 0.403 . . . . 0.0 111.346 -179.652 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 581' ' ' SER . . . . . . . . . . . . . 3.6 m -62.49 -32.84 73.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.456 179.639 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.54 -38.5 63.86 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.894 179.774 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 583' ' ' GLU . . . . . 0.513 ' HB3' ' CD2' ' A' ' 578' ' ' PHE . 2.9 tp10 -55.3 -55.15 34.79 Favored 'General case' 0 CA--C 1.51 -0.593 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.647 179.488 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 584' ' ' LEU . . . . . 0.546 ' H ' HD12 ' A' ' 584' ' ' LEU . 6.0 mp -54.23 -37.0 64.12 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.426 -179.697 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 585' ' ' GLN . . . . . 0.427 ' O ' ' HG2' ' A' ' 588' ' ' LYS . 26.1 mm-40 -61.08 -56.38 21.59 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.182 0.515 . . . . 0.0 110.343 179.664 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 586' ' ' ARG . . . . . 0.412 ' O ' ' HB2' ' A' ' 589' ' ' ARG . 1.2 mtm180 -72.83 -38.28 67.18 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.722 -0.672 . . . . 0.0 112.322 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 587' ' ' HIS . . . . . 0.511 ' HB3' ' O ' ' A' ' 583' ' ' GLU . 0.2 OUTLIER -67.83 -51.86 43.61 Favored 'General case' 0 N--CA 1.455 -0.214 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 -179.652 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 588' ' ' LYS . . . . . 0.499 ' HB2' ' CZ2' ' A' ' 571' ' ' TRP . 41.3 pttt -56.65 -29.98 62.84 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 178.265 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 589' ' ' ARG . . . . . 0.412 ' HB2' ' O ' ' A' ' 586' ' ' ARG . 0.0 OUTLIER -45.97 -29.73 1.54 Allowed 'General case' 0 C--O 1.231 0.098 0 CA-C-N 114.853 -1.067 . . . . 0.0 110.858 179.523 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 590' ' ' THR . . . . . . . . . . . . . 8.7 t -124.32 42.07 3.34 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.667 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 591' ' ' HIS . . . . . 0.443 ' HB2' ' HA ' ' A' ' 588' ' ' LYS . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.124 -179.836 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 566' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo . . . . . 0 C--O 1.231 0.145 0 CA-C-O 120.863 0.276 . . . . 0.0 112.424 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 567' ' ' PHE . . . . . . . . . . . . . 77.2 m-85 -122.75 100.3 6.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.678 179.805 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 568' ' ' MET . . . . . . . . . . . . . 4.5 ttt -114.53 135.4 54.16 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.086 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 569' ' ' CYS . . . . . 0.483 ' HA ' HD23 ' A' ' 584' ' ' LEU . 11.4 p -59.27 140.82 55.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.151 179.605 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 35.4 p -73.47 -5.44 40.03 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.955 0.724 . . . . 0.0 112.955 -178.328 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 571' ' ' TRP . . . . . 0.506 ' CD1' ' CE1' ' A' ' 591' ' ' HIS . 0.6 OUTLIER -49.25 172.69 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 120.776 0.322 . . . . 0.0 111.204 -179.689 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -91.57 -47.06 7.61 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 112.057 0.391 . . . . 0.0 112.057 -178.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 573' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -132.71 66.4 1.56 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.811 0.338 . . . . 0.0 111.599 -179.366 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 574' ' ' CYS . . . . . . . . . . . . . 43.4 t -101.86 -50.36 3.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.663 179.457 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . 65.94 51.54 44.83 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.897 -0.668 . . . . 0.0 112.689 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 576' ' ' LYS . . . . . . . . . . . . . 10.9 mtpp -147.05 122.1 10.09 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-O 120.824 0.345 . . . . 0.0 111.035 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 11.6 mtt180 -89.49 163.55 15.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.738 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 578' ' ' PHE . . . . . 0.405 ' CE1' ' HB3' ' A' ' 569' ' ' CYS . 37.5 m-85 -139.65 163.76 31.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.969 0.414 . . . . 0.0 111.401 -179.386 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 579' ' ' THR . . . . . . . . . . . . . 28.6 m -113.68 -8.89 13.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.322 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 580' ' ' ARG . . . . . . . . . . . . . 57.6 mmm-85 -140.39 152.4 45.72 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.853 0.359 . . . . 0.0 110.894 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 581' ' ' SER . . . . . 0.434 ' HA ' ' CD1' ' A' ' 584' ' ' LEU . 2.7 p -72.59 -22.6 60.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.32 -179.849 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.12 -35.84 74.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.578 -179.456 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 583' ' ' GLU . . . . . 0.512 ' O ' ' HB3' ' A' ' 587' ' ' HIS . 4.7 tt0 -55.09 -54.96 36.52 Favored 'General case' 0 CA--C 1.511 -0.555 0 CA-C-O 120.806 0.336 . . . . 0.0 111.128 -179.766 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 584' ' ' LEU . . . . . 0.483 HD23 ' HA ' ' A' ' 569' ' ' CYS . 1.1 mp -54.2 -32.93 57.0 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.272 -179.419 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 585' ' ' GLN . . . . . 0.429 ' O ' ' HG3' ' A' ' 588' ' ' LYS . 5.6 mm100 -64.02 -56.64 13.6 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.471 -0.492 . . . . 0.0 109.91 179.176 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 586' ' ' ARG . . . . . 0.439 ' HG2' ' O ' ' A' ' 583' ' ' GLU . 0.6 OUTLIER -73.02 -40.52 65.09 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.88 -0.6 . . . . 0.0 112.392 179.777 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 587' ' ' HIS . . . . . 0.512 ' HB3' ' O ' ' A' ' 583' ' ' GLU . 0.1 OUTLIER -62.73 -49.33 75.47 Favored 'General case' 0 CA--C 1.52 -0.194 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 -179.685 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 588' ' ' LYS . . . . . 0.447 ' HG3' ' N ' ' A' ' 589' ' ' ARG . 0.0 OUTLIER -58.63 -30.36 67.22 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 178.203 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 589' ' ' ARG . . . . . 0.447 ' N ' ' HG3' ' A' ' 588' ' ' LYS . 0.0 OUTLIER -55.44 -33.53 63.67 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 114.779 -1.1 . . . . 0.0 110.593 179.239 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 590' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -113.86 24.27 12.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.855 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 591' ' ' HIS . . . . . 0.506 ' CE1' ' CD1' ' A' ' 571' ' ' TRP . 0.9 OUTLIER . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.925 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 566' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo . . . . . 0 N--CA 1.463 -0.284 0 CA-C-O 120.735 0.223 . . . . 0.0 112.661 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 567' ' ' PHE . . . . . . . . . . . . . 34.0 m-85 -129.37 105.08 7.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.747 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 568' ' ' MET . . . . . . . . . . . . . 2.8 ptt? -143.08 125.04 15.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.138 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 569' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -57.05 128.55 37.52 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.001 179.628 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 25.2 p -90.28 17.45 7.15 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 112.703 0.631 . . . . 0.0 112.703 -178.336 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 571' ' ' TRP . . . . . 0.507 ' CZ2' ' HB2' ' A' ' 588' ' ' LYS . 0.8 OUTLIER -48.31 171.57 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.898 0.38 . . . . 0.0 111.426 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 11.2 m -54.73 -46.97 74.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.515 -179.556 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 573' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -164.38 82.01 0.4 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.93 0.395 . . . . 0.0 111.108 -179.795 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 574' ' ' CYS . . . . . . . . . . . . . 40.8 t -101.69 -50.21 3.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.649 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . 69.14 52.18 24.35 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.672 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 576' ' ' LYS . . . . . . . . . . . . . 4.3 mttt -149.77 122.36 8.57 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-O 120.824 0.345 . . . . 0.0 110.904 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -89.49 163.52 15.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.731 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 578' ' ' PHE . . . . . 0.482 ' HB2' HD11 ' A' ' 584' ' ' LEU . 51.4 m-85 -137.68 163.66 30.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.025 0.44 . . . . 0.0 111.428 -179.478 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 579' ' ' THR . . . . . . . . . . . . . 77.5 m -110.39 -14.34 14.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.064 179.796 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 580' ' ' ARG . . . . . . . . . . . . . 5.5 mtt180 -140.98 137.13 32.81 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.841 0.353 . . . . 0.0 110.658 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 581' ' ' SER . . . . . . . . . . . . . 62.7 p -57.26 -36.95 71.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.026 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -52.57 -35.73 54.54 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.177 -179.742 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 583' ' ' GLU . . . . . 0.484 ' O ' ' HB3' ' A' ' 587' ' ' HIS . 2.8 tp10 -57.94 -55.16 38.56 Favored 'General case' 0 CA--C 1.51 -0.595 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.773 179.546 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 584' ' ' LEU . . . . . 0.482 HD11 ' HB2' ' A' ' 578' ' ' PHE . 7.2 mp -54.27 -34.23 60.37 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.146 -179.708 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 585' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -61.47 -56.78 16.4 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.569 -0.452 . . . . 0.0 110.046 179.297 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 586' ' ' ARG . . . . . 0.498 ' HG3' ' N ' ' A' ' 587' ' ' HIS . 0.6 OUTLIER -73.12 -41.11 64.37 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.902 -0.59 . . . . 0.0 112.362 179.699 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 587' ' ' HIS . . . . . 0.498 ' N ' ' HG3' ' A' ' 586' ' ' ARG . 0.2 OUTLIER -63.59 -51.63 64.5 Favored 'General case' 0 CA--C 1.519 -0.222 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 -179.553 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 588' ' ' LYS . . . . . 0.507 ' HB2' ' CZ2' ' A' ' 571' ' ' TRP . 0.0 OUTLIER -58.1 -30.77 66.53 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 178.272 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 589' ' ' ARG . . . . . 0.401 ' HB2' ' HA ' ' A' ' 586' ' ' ARG . 0.0 OUTLIER -51.68 -30.43 21.92 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 114.876 -1.056 . . . . 0.0 110.751 179.369 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 590' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -113.91 26.38 10.38 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.848 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 591' ' ' HIS . . . . . 0.449 ' HB2' ' HA ' ' A' ' 588' ' ' LYS . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 566' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_endo . . . . . 0 N--CA 1.464 -0.249 0 N-CA-C 113.004 0.348 . . . . 0.0 113.004 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 567' ' ' PHE . . . . . 0.572 ' HB3' HD13 ' A' ' 584' ' ' LEU . 11.8 m-85 -129.58 103.69 7.02 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.393 179.443 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 568' ' ' MET . . . . . 0.42 ' HB3' ' O ' ' A' ' 576' ' ' LYS . 25.3 mtt -147.27 109.15 4.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.741 0.305 . . . . 0.0 111.611 -179.457 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 569' ' ' CYS . . . . . 0.458 ' N ' HD21 ' A' ' 584' ' ' LEU . 17.5 t -68.88 110.23 4.29 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.244 179.331 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 6.6 p -86.16 -30.98 22.04 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.185 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 571' ' ' TRP . . . . . 0.443 ' HB2' ' HB2' ' A' ' 574' ' ' CYS . 0.2 OUTLIER 39.94 -163.79 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.647 -179.941 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 35.8 p -63.15 -30.81 71.89 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.861 0.362 . . . . 0.0 110.678 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 573' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -171.64 35.04 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 574' ' ' CYS . . . . . 0.443 ' HB2' ' HB2' ' A' ' 571' ' ' TRP . 43.2 t -75.0 -50.32 16.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.636 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . 54.09 20.46 14.77 Favored Glycine 0 CA--C 1.519 0.293 0 C-N-CA 121.085 -0.578 . . . . 0.0 113.514 179.342 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 576' ' ' LYS . . . . . 0.42 ' O ' ' HB3' ' A' ' 568' ' ' MET . 12.3 mttt -80.63 -176.65 5.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 117.013 0.407 . . . . 0.0 110.655 179.785 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 73.3 mtt85 -153.42 155.08 35.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.716 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 578' ' ' PHE . . . . . 0.475 ' CD1' ' HG2' ' A' ' 583' ' ' GLU . 5.2 m-85 -148.99 163.8 36.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.99 0.424 . . . . 0.0 111.097 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 579' ' ' THR . . . . . . . . . . . . . 22.4 m -97.44 -8.09 30.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.503 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 580' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -140.58 137.08 33.44 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.872 0.368 . . . . 0.0 110.91 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 581' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.59 -35.45 74.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.816 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -52.48 -37.05 56.28 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.051 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 583' ' ' GLU . . . . . 0.533 ' O ' ' HB3' ' A' ' 587' ' ' HIS . 7.9 tp10 -57.36 -55.74 30.81 Favored 'General case' 0 CA--C 1.508 -0.64 0 CA-C-O 121.128 0.489 . . . . 0.0 110.573 179.35 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 584' ' ' LEU . . . . . 0.572 HD13 ' HB3' ' A' ' 567' ' ' PHE . 6.4 mp -55.3 -36.47 66.22 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.603 -179.442 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 585' ' ' GLN . . . . . 0.414 ' O ' ' HG2' ' A' ' 589' ' ' ARG . 0.5 OUTLIER -60.3 -56.79 17.16 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.549 -0.46 . . . . 0.0 110.136 179.867 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 586' ' ' ARG . . . . . 0.543 ' O ' ' HB2' ' A' ' 589' ' ' ARG . 30.9 mtp180 -72.87 -40.07 65.93 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.72 -0.673 . . . . 0.0 112.192 179.819 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 587' ' ' HIS . . . . . 0.533 ' HB3' ' O ' ' A' ' 583' ' ' GLU . 0.1 OUTLIER -65.57 -37.53 86.93 Favored 'General case' 0 N--CA 1.455 -0.221 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 -179.766 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 588' ' ' LYS . . . . . 0.524 ' HE3' HD23 ' A' ' 584' ' ' LEU . 47.5 mttt -70.09 -30.36 67.56 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 108.52 -0.919 . . . . 0.0 108.52 177.384 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 589' ' ' ARG . . . . . 0.543 ' HB2' ' O ' ' A' ' 586' ' ' ARG . 15.9 mmt180 -60.86 -28.27 68.73 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 115.138 -0.937 . . . . 0.0 111.1 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 590' ' ' THR . . . . . 0.487 HG22 ' O ' ' A' ' 587' ' ' HIS . 10.9 t -99.36 -17.23 18.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.084 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 591' ' ' HIS . . . . . 0.446 ' NE2' ' CE1' ' A' ' 587' ' ' HIS . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.241 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.019 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 566' ' ' PRO . . . . . 0.405 ' HD2' ' CE2' ' A' ' 567' ' ' PHE . 97.4 Cg_endo . . . . . 0 N--CA 1.463 -0.305 0 N-CA-C 112.802 0.27 . . . . 0.0 112.802 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 567' ' ' PHE . . . . . 0.405 ' CE2' ' HD2' ' A' ' 566' ' ' PRO . 11.4 m-85 -129.34 96.21 4.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.825 0.345 . . . . 0.0 110.797 179.854 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 568' ' ' MET . . . . . . . . . . . . . 9.0 mtp -147.13 119.64 8.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.96 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 569' ' ' CYS . . . . . 0.412 ' N ' HD21 ' A' ' 584' ' ' LEU . 0.1 OUTLIER -61.54 123.91 19.18 Favored 'General case' 0 CA--C 1.531 0.245 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 179.625 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 10.9 p -94.46 37.02 1.13 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.817 -178.743 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 571' ' ' TRP . . . . . 0.465 ' CZ2' ' HB2' ' A' ' 588' ' ' LYS . 1.2 m-90 -63.54 168.59 4.55 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.821 0.343 . . . . 0.0 111.008 179.854 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -51.03 -47.02 61.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.542 -179.388 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 573' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -162.47 75.39 0.43 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.919 0.39 . . . . 0.0 110.981 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 574' ' ' CYS . . . . . . . . . . . . . 44.5 t -101.18 -48.18 4.49 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.642 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . 63.28 59.17 9.3 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.619 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 576' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -152.07 121.79 6.97 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-O 120.861 0.362 . . . . 0.0 110.851 179.766 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 3.3 mtt180 -89.55 163.55 15.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.777 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 578' ' ' PHE . . . . . 0.404 ' HB2' HD11 ' A' ' 584' ' ' LEU . 47.0 m-85 -141.34 163.73 32.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.376 -179.536 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 579' ' ' THR . . . . . . . . . . . . . 16.8 m -113.35 -12.4 13.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.087 179.774 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 580' ' ' ARG . . . . . . . . . . . . . 9.6 mmm180 -139.25 137.17 35.69 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.796 0.331 . . . . 0.0 110.723 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 581' ' ' SER . . . . . . . . . . . . . 18.5 p -58.76 -31.66 68.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.022 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.2 -38.93 74.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.228 -179.798 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 583' ' ' GLU . . . . . 0.538 ' O ' ' HB3' ' A' ' 587' ' ' HIS . 6.0 tp10 -55.32 -54.22 46.32 Favored 'General case' 0 CA--C 1.509 -0.622 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.904 179.797 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 584' ' ' LEU . . . . . 0.483 ' O ' ' HG2' ' A' ' 588' ' ' LYS . 6.8 mp -53.76 -33.32 55.42 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.235 -179.359 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 585' ' ' GLN . . . . . 0.432 ' O ' ' HG2' ' A' ' 588' ' ' LYS . 18.0 mm-40 -65.02 -56.47 12.9 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.07 0.462 . . . . 0.0 109.921 179.264 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 586' ' ' ARG . . . . . 0.432 ' O ' ' HB2' ' A' ' 589' ' ' ARG . 0.8 OUTLIER -72.96 -38.16 66.85 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.845 -0.616 . . . . 0.0 112.008 179.8 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 587' ' ' HIS . . . . . 0.538 ' HB3' ' O ' ' A' ' 583' ' ' GLU . 0.2 OUTLIER -65.5 -44.77 86.01 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 109.206 -0.664 . . . . 0.0 109.206 -179.68 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 588' ' ' LYS . . . . . 0.483 ' HG2' ' O ' ' A' ' 584' ' ' LEU . 0.3 OUTLIER -59.99 -32.03 70.47 Favored 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 178.371 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 589' ' ' ARG . . . . . 0.432 ' HB2' ' O ' ' A' ' 586' ' ' ARG . 0.3 OUTLIER -48.76 -27.47 2.97 Favored 'General case' 0 C--N 1.333 -0.112 0 CA-C-N 114.763 -1.108 . . . . 0.0 110.928 179.613 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 590' ' ' THR . . . . . 0.407 HG22 ' O ' ' A' ' 587' ' ' HIS . 9.5 t -114.93 28.93 8.38 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.688 179.743 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 591' ' ' HIS . . . . . 0.447 ' HB2' ' HA ' ' A' ' 588' ' ' LYS . 0.5 OUTLIER . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.84 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 566' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo . . . . . 0 C--O 1.232 0.182 0 CA-C-O 120.753 0.23 . . . . 0.0 112.595 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 567' ' ' PHE . . . . . 0.71 ' CD1' HD22 ' A' ' 584' ' ' LEU . 0.4 OUTLIER -106.3 155.5 19.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.336 179.571 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 568' ' ' MET . . . . . . . . . . . . . 5.1 ttt -147.37 100.55 3.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.786 0.327 . . . . 0.0 111.747 -179.589 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 569' ' ' CYS . . . . . . . . . . . . . 15.3 t -71.27 86.85 0.81 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.321 -0.4 . . . . 0.0 109.934 179.078 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -73.17 -26.12 61.06 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.533 -179.299 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 571' ' ' TRP . . . . . 0.515 ' CZ2' ' HB2' ' A' ' 588' ' ' LYS . 0.2 OUTLIER 40.66 -163.83 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 120.804 0.335 . . . . 0.0 111.603 -179.829 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 70.4 m -70.47 -24.79 62.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.82 0.343 . . . . 0.0 110.556 179.511 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 573' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -171.71 42.81 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.943 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 574' ' ' CYS . . . . . 0.425 ' CB ' ' HB2' ' A' ' 571' ' ' TRP . 51.5 t -91.83 -50.2 5.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.837 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . 56.35 20.47 29.71 Favored Glycine 0 CA--C 1.519 0.289 0 C-N-CA 120.919 -0.658 . . . . 0.0 113.058 179.677 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 576' ' ' LYS . . . . . 0.446 ' HD3' ' CZ ' ' A' ' 578' ' ' PHE . 34.7 ttmt -88.04 144.61 26.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.799 0.333 . . . . 0.0 110.881 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 16.0 mtt180 -114.46 141.15 48.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.064 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 578' ' ' PHE . . . . . 0.451 ' CE2' ' HG2' ' A' ' 583' ' ' GLU . 4.2 m-85 -131.43 163.97 26.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.978 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 579' ' ' THR . . . . . . . . . . . . . 14.5 m -108.44 -6.16 16.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.58 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 580' ' ' ARG . . . . . . . . . . . . . 1.3 mmm-85 -133.62 143.72 48.79 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.874 0.368 . . . . 0.0 111.088 -179.682 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 581' ' ' SER . . . . . 0.621 ' HA ' HD21 ' A' ' 584' ' ' LEU . 24.4 m -64.54 -43.98 92.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.56 179.677 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -52.96 -33.84 52.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.756 -179.799 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 583' ' ' GLU . . . . . 0.629 ' O ' ' HB3' ' A' ' 587' ' ' HIS . 2.2 tt0 -55.26 -56.06 24.35 Favored 'General case' 0 CA--C 1.51 -0.576 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.56 -179.316 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 584' ' ' LEU . . . . . 0.71 HD22 ' CD1' ' A' ' 567' ' ' PHE . 0.5 OUTLIER -62.49 -33.08 74.16 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.345 -179.206 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 585' ' ' GLN . . . . . 0.447 ' O ' ' HG2' ' A' ' 588' ' ' LYS . 0.2 OUTLIER -58.77 -56.7 18.78 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.157 0.503 . . . . 0.0 109.831 179.288 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 586' ' ' ARG . . . . . 0.421 ' O ' ' CB ' ' A' ' 589' ' ' ARG . 38.7 ptt85 -73.33 -44.7 58.42 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.794 -0.639 . . . . 0.0 112.075 179.514 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 587' ' ' HIS . . . . . 0.629 ' HB3' ' O ' ' A' ' 583' ' ' GLU . 0.2 OUTLIER -60.32 -52.04 66.95 Favored 'General case' 0 CA--C 1.522 -0.126 0 N-CA-C 109.627 -0.509 . . . . 0.0 109.627 -179.716 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 588' ' ' LYS . . . . . 0.515 ' HB2' ' CZ2' ' A' ' 571' ' ' TRP . 47.6 pttt -56.37 -32.08 64.41 Favored 'General case' 0 N--CA 1.455 -0.186 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 178.255 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 589' ' ' ARG . . . . . 0.421 ' CB ' ' O ' ' A' ' 586' ' ' ARG . 1.1 tpt180 -52.98 -30.01 32.53 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-N 114.841 -1.072 . . . . 0.0 110.941 179.602 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 590' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -116.34 29.59 7.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.069 -179.699 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 591' ' ' HIS . . . . . 0.412 ' HB2' ' HA ' ' A' ' 588' ' ' LYS . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.896 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 566' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo . . . . . 0 C--O 1.231 0.174 0 CA-C-O 120.909 0.295 . . . . 0.0 112.423 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 567' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -129.23 94.09 3.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.717 179.742 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 568' ' ' MET . . . . . . . . . . . . . 2.2 ptt? -125.87 138.37 53.8 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.214 -179.708 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 569' ' ' CYS . . . . . 0.472 ' N ' HD22 ' A' ' 584' ' ' LEU . 0.4 OUTLIER -59.12 138.3 57.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.064 179.604 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 44.0 p -95.64 21.62 8.13 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 112.747 0.647 . . . . 0.0 112.747 -178.271 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 571' ' ' TRP . . . . . 0.447 ' CZ2' ' HB2' ' A' ' 588' ' ' LYS . 0.6 OUTLIER -52.25 -179.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.883 0.373 . . . . 0.0 111.201 179.864 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 82.9 p -59.77 -47.02 87.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.441 -179.637 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 573' ' ' TYR . . . . . . . . . . . . . 21.2 t80 -163.76 79.55 0.42 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.875 0.369 . . . . 0.0 111.09 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 574' ' ' CYS . . . . . . . . . . . . . 43.3 t -101.69 -50.16 3.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.85 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . 63.13 61.16 6.64 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.569 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 576' ' ' LYS . . . . . . . . . . . . . 8.4 mtpt -153.74 109.46 3.24 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-O 120.883 0.373 . . . . 0.0 110.969 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 5.8 mtm-85 -89.53 157.09 18.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.892 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 578' ' ' PHE . . . . . 0.505 ' CD2' ' HB3' ' A' ' 583' ' ' GLU . 7.5 m-85 -135.09 163.89 28.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.137 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 579' ' ' THR . . . . . . . . . . . . . 5.5 m -93.95 -7.86 41.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.727 -179.734 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 580' ' ' ARG . . . . . . . . . . . . . 51.9 mmm-85 -145.07 138.48 26.71 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.849 0.357 . . . . 0.0 111.091 -179.739 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 581' ' ' SER . . . . . . . . . . . . . 1.2 m -58.35 -35.74 72.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.536 179.718 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -52.64 -33.53 47.23 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.78 179.785 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 583' ' ' GLU . . . . . 0.55 ' O ' ' HB3' ' A' ' 587' ' ' HIS . 4.5 tp10 -58.64 -55.71 31.51 Favored 'General case' 0 CA--C 1.509 -0.603 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.58 179.351 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 584' ' ' LEU . . . . . 0.472 HD22 ' N ' ' A' ' 569' ' ' CYS . 24.4 mt -57.15 -36.15 70.39 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.429 -179.436 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 585' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -59.6 -56.36 22.89 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.083 0.468 . . . . 0.0 109.909 179.278 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 586' ' ' ARG . . . . . 0.427 ' HA ' ' HB2' ' A' ' 589' ' ' ARG . 11.3 ptm180 -72.77 -43.22 63.12 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.781 -0.645 . . . . 0.0 112.394 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 587' ' ' HIS . . . . . 0.55 ' HB3' ' O ' ' A' ' 583' ' ' GLU . 0.0 OUTLIER -62.03 -53.13 59.85 Favored 'General case' 0 CA--C 1.52 -0.206 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 -179.541 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 588' ' ' LYS . . . . . 0.481 ' HA ' ' HB2' ' A' ' 591' ' ' HIS . 6.4 pttt -58.12 -29.89 65.86 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 108.944 -0.761 . . . . 0.0 108.944 178.271 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 589' ' ' ARG . . . . . 0.427 ' HB2' ' HA ' ' A' ' 586' ' ' ARG . 0.2 OUTLIER -53.02 -32.11 44.91 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 114.931 -1.032 . . . . 0.0 110.784 179.362 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 590' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -109.46 17.03 21.84 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.124 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 591' ' ' HIS . . . . . 0.533 ' CD2' ' CE1' ' A' ' 587' ' ' HIS . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.275 0 CA-C-O 120.859 0.361 . . . . 0.0 110.695 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 566' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_endo . . . . . 0 CA--C 1.527 0.152 0 CA-C-O 120.882 0.284 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 567' ' ' PHE . . . . . 0.402 ' CE1' ' OG ' ' A' ' 581' ' ' SER . 98.9 m-85 -129.25 118.95 23.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.661 179.706 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 568' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -135.22 124.46 24.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.059 -179.814 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 569' ' ' CYS . . . . . 0.775 ' HA ' HD23 ' A' ' 584' ' ' LEU . 13.4 p -50.91 157.43 0.82 Allowed 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.473 179.668 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 61.5 p -90.39 20.86 4.2 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.174 0.435 . . . . 0.0 112.174 -179.108 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 571' ' ' TRP . . . . . 0.51 ' CD2' ' CD2' ' A' ' 591' ' ' HIS . 7.9 m-90 -102.07 100.27 10.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.859 0.361 . . . . 0.0 110.568 179.457 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 55.5 p -55.07 -30.87 60.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.59 -179.453 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 573' ' ' TYR . . . . . . . . . . . . . 38.7 p90 -92.92 18.43 9.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.435 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 574' ' ' CYS . . . . . 0.437 ' HB2' ' CE1' ' A' ' 591' ' ' HIS . 53.8 t -101.77 -50.31 3.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.773 0.32 . . . . 0.0 110.917 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . 56.37 66.02 3.15 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.531 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 576' ' ' LYS . . . . . . . . . . . . . 9.9 ttmm -160.88 117.72 2.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.869 0.366 . . . . 0.0 111.028 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 8.2 mtt180 -89.74 163.5 15.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.84 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 578' ' ' PHE . . . . . 0.471 ' CD2' ' HB3' ' A' ' 583' ' ' GLU . 6.7 m-85 -137.51 164.2 29.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.966 0.412 . . . . 0.0 111.233 -179.849 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 579' ' ' THR . . . . . . . . . . . . . 30.2 m -98.95 -7.83 26.42 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.673 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 580' ' ' ARG . . . . . . . . . . . . . 24.3 mmt85 -146.22 154.53 41.84 Favored 'General case' 0 C--N 1.334 -0.108 0 CA-C-O 120.953 0.406 . . . . 0.0 111.251 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 581' ' ' SER . . . . . 0.506 ' HA ' HD13 ' A' ' 584' ' ' LEU . 49.5 m -70.37 -35.83 73.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.919 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -52.49 -38.13 58.82 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.912 -179.742 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 583' ' ' GLU . . . . . 0.561 ' O ' ' HB3' ' A' ' 587' ' ' HIS . 2.9 tt0 -55.35 -55.48 31.01 Favored 'General case' 0 CA--C 1.511 -0.522 0 CA-C-O 121.102 0.477 . . . . 0.0 110.639 179.369 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 584' ' ' LEU . . . . . 0.775 HD23 ' HA ' ' A' ' 569' ' ' CYS . 5.6 mp -54.39 -36.14 63.6 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.639 -179.312 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 585' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -63.7 -56.89 12.24 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.641 -0.423 . . . . 0.0 110.23 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 586' ' ' ARG . . . . . 0.554 ' O ' ' HB2' ' A' ' 589' ' ' ARG . 3.4 mtt180 -73.41 -35.76 65.89 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 112.948 0.721 . . . . 0.0 112.948 -179.874 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 587' ' ' HIS . . . . . 0.561 ' HB3' ' O ' ' A' ' 583' ' ' GLU . 0.1 OUTLIER -68.6 -37.29 79.68 Favored 'General case' 0 CA--C 1.52 -0.196 0 C-N-CA 120.202 -0.599 . . . . 0.0 109.839 -178.953 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 588' ' ' LYS . . . . . 0.454 ' HG3' ' N ' ' A' ' 589' ' ' ARG . 0.4 OUTLIER -62.39 -28.76 70.0 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.327 0.584 . . . . 0.0 109.5 178.65 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 589' ' ' ARG . . . . . 0.554 ' HB2' ' O ' ' A' ' 586' ' ' ARG . 4.6 mmt180 -45.99 -28.92 1.27 Allowed 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 115.116 -0.947 . . . . 0.0 111.131 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 590' ' ' THR . . . . . . . . . . . . . 10.1 t -121.85 42.32 3.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.99 -179.783 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 591' ' ' HIS . . . . . 0.51 ' CD2' ' CD2' ' A' ' 571' ' ' TRP . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.895 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 566' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo . . . . . 0 CA--C 1.528 0.177 0 CA-C-O 120.83 0.262 . . . . 0.0 112.742 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 567' ' ' PHE . . . . . . . . . . . . . 83.0 m-85 -129.28 90.8 3.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.539 179.589 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 568' ' ' MET . . . . . . . . . . . . . 2.7 ptt? -131.33 135.89 47.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.926 0.393 . . . . 0.0 111.32 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 569' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -60.53 138.01 58.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.064 179.646 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 31.2 p -98.87 25.97 6.15 Favored 'General case' 0 N--CA 1.464 0.236 0 N-CA-C 112.388 0.514 . . . . 0.0 112.388 -178.575 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 571' ' ' TRP . . . . . 0.464 ' CZ2' ' HB2' ' A' ' 588' ' ' LYS . 0.6 OUTLIER -54.05 -176.3 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.902 0.382 . . . . 0.0 111.19 179.907 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 39.2 t -65.96 -46.89 76.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.31 -179.694 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 573' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -158.7 76.03 0.73 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.961 0.41 . . . . 0.0 111.158 -179.767 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 574' ' ' CYS . . . . . 0.451 ' HG ' ' HE2' ' A' ' 591' ' ' HIS . 41.5 t -101.71 -50.17 3.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.748 179.744 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . 59.6 60.45 8.73 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.479 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 576' ' ' LYS . . . . . . . . . . . . . 3.9 mttt -154.91 106.85 2.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.872 0.368 . . . . 0.0 111.022 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 14.7 mtt85 -89.5 159.34 17.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.708 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 578' ' ' PHE . . . . . 0.498 ' CD2' ' HB3' ' A' ' 583' ' ' GLU . 9.2 m-85 -134.09 163.71 28.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.928 0.394 . . . . 0.0 110.917 -179.879 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 579' ' ' THR . . . . . 0.423 ' HB ' ' HD2' ' A' ' 580' ' ' ARG . 12.2 m -95.17 -7.84 38.05 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.306 179.837 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 580' ' ' ARG . . . . . 0.446 ' HD2' ' N ' ' A' ' 580' ' ' ARG . 1.9 mpt_? -136.62 137.15 39.82 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-O 120.832 0.349 . . . . 0.0 110.905 -179.876 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 581' ' ' SER . . . . . 0.506 ' HA ' HD23 ' A' ' 584' ' ' LEU . 0.3 OUTLIER -59.07 -40.01 83.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.01 0.433 . . . . 0.0 110.269 179.541 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -52.85 -34.12 52.87 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.381 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 583' ' ' GLU . . . . . 0.613 ' O ' ' HB3' ' A' ' 587' ' ' HIS . 8.4 tp10 -55.32 -56.28 21.87 Favored 'General case' 0 CA--C 1.508 -0.659 0 CA-C-O 120.887 0.375 . . . . 0.0 111.062 -179.842 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 584' ' ' LEU . . . . . 0.506 HD23 ' HA ' ' A' ' 581' ' ' SER . 0.6 OUTLIER -59.6 -33.22 71.2 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.749 -0.659 . . . . 0.0 111.11 -179.333 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 585' ' ' GLN . . . . . 0.491 ' O ' ' HG3' ' A' ' 588' ' ' LYS . 0.2 OUTLIER -61.19 -56.53 19.7 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.013 0.435 . . . . 0.0 109.999 179.209 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 586' ' ' ARG . . . . . 0.447 ' HG3' ' N ' ' A' ' 587' ' ' HIS . 12.3 ptt180 -72.99 -41.66 64.09 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.019 -0.537 . . . . 0.0 112.099 179.64 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 587' ' ' HIS . . . . . 0.613 ' HB3' ' O ' ' A' ' 583' ' ' GLU . 0.1 OUTLIER -62.45 -45.84 91.24 Favored 'General case' 0 CA--C 1.521 -0.166 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 -179.643 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 588' ' ' LYS . . . . . 0.491 ' HG3' ' O ' ' A' ' 585' ' ' GLN . 0.0 OUTLIER -61.3 -31.86 71.7 Favored 'General case' 0 N--CA 1.454 -0.274 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 178.312 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 589' ' ' ARG . . . . . 0.482 ' N ' ' HG3' ' A' ' 588' ' ' LYS . 0.3 OUTLIER -51.18 -28.77 11.99 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 114.751 -1.113 . . . . 0.0 111.077 179.8 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 590' ' ' THR . . . . . . . . . . . . . 10.0 t -124.47 32.3 5.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.781 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 591' ' ' HIS . . . . . 0.451 ' HE2' ' HG ' ' A' ' 574' ' ' CYS . 1.2 t-80 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.924 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 566' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_exo . . . . . 0 CA--C 1.529 0.269 0 N-CA-C 112.991 0.343 . . . . 0.0 112.991 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 567' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -129.61 123.89 32.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.616 179.409 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 568' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -147.41 127.17 13.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.797 0.332 . . . . 0.0 111.141 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 569' ' ' CYS . . . . . 0.465 ' HA ' HD23 ' A' ' 584' ' ' LEU . 0.5 OUTLIER -61.31 142.69 56.69 Favored 'General case' 0 CA--C 1.532 0.252 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 179.567 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -96.83 10.15 39.75 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.794 0.664 . . . . 0.0 112.794 -178.304 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 571' ' ' TRP . . . . . 0.466 ' CZ2' ' HB2' ' A' ' 588' ' ' LYS . 0.9 OUTLIER -47.44 168.91 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.894 0.378 . . . . 0.0 111.571 -179.809 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 59.7 p -56.85 -47.04 81.3 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.808 -179.128 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 573' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -161.51 82.72 0.61 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.861 0.362 . . . . 0.0 111.36 -179.645 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 574' ' ' CYS . . . . . . . . . . . . . 40.9 t -101.71 -50.21 3.77 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.654 179.715 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . 68.7 51.82 28.34 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.571 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 576' ' ' LYS . . . . . . . . . . . . . 7.8 tttt -149.56 124.48 9.94 Favored 'General case' 0 N--CA 1.453 -0.275 0 CA-C-O 120.838 0.351 . . . . 0.0 110.951 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 11.9 mtt-85 -89.55 163.61 15.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.768 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 578' ' ' PHE . . . . . 0.406 ' HB2' HD11 ' A' ' 584' ' ' LEU . 41.7 m-85 -138.08 163.7 30.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.39 -179.394 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 579' ' ' THR . . . . . . . . . . . . . 19.0 m -109.75 -17.67 13.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.048 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 580' ' ' ARG . . . . . . . . . . . . . 3.7 mmm180 -139.38 143.06 37.55 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.798 0.332 . . . . 0.0 110.74 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 581' ' ' SER . . . . . . . . . . . . . 78.2 p -60.18 -36.97 78.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.828 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -52.54 -35.05 52.75 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.081 -179.757 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 583' ' ' GLU . . . . . 0.496 ' O ' ' HB3' ' A' ' 587' ' ' HIS . 4.9 tp10 -58.3 -55.03 40.2 Favored 'General case' 0 CA--C 1.51 -0.586 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.665 179.397 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 584' ' ' LEU . . . . . 0.465 HD23 ' HA ' ' A' ' 569' ' ' CYS . 7.3 mp -54.15 -36.82 63.75 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.04 -179.617 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 585' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -60.06 -56.39 22.17 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.123 0.487 . . . . 0.0 109.886 179.204 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 586' ' ' ARG . . . . . 0.417 ' HA ' ' HB2' ' A' ' 589' ' ' ARG . 4.0 ptm180 -72.8 -42.65 63.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.671 -0.695 . . . . 0.0 112.388 179.85 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 587' ' ' HIS . . . . . 0.496 ' HB3' ' O ' ' A' ' 583' ' ' GLU . 0.2 OUTLIER -62.64 -53.63 51.65 Favored 'General case' 0 CA--C 1.518 -0.256 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 -179.625 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 588' ' ' LYS . . . . . 0.476 ' HA ' ' HB2' ' A' ' 591' ' ' HIS . 0.4 OUTLIER -57.95 -31.13 66.56 Favored 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 178.449 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 589' ' ' ARG . . . . . 0.417 ' HB2' ' HA ' ' A' ' 586' ' ' ARG . 0.0 OUTLIER -48.88 -30.34 5.73 Favored 'General case' 0 C--O 1.231 0.109 0 CA-C-N 114.954 -1.021 . . . . 0.0 110.944 179.373 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 590' ' ' THR . . . . . . . . . . . . . 4.2 t -121.63 28.09 7.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.856 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 591' ' ' HIS . . . . . 0.476 ' HB2' ' HA ' ' A' ' 588' ' ' LYS . 1.5 t-80 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.94 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 566' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_endo . . . . . 0 C--O 1.232 0.21 0 CA-C-O 120.792 0.247 . . . . 0.0 112.638 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 567' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -129.28 119.57 24.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.71 179.618 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 568' ' ' MET . . . . . . . . . . . . . 7.2 ptt? -147.34 129.94 15.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.911 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 569' ' ' CYS . . . . . 0.402 ' SG ' ' HB3' ' A' ' 574' ' ' CYS . 0.5 OUTLIER -59.78 140.5 56.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.071 179.68 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 44.9 p -89.95 3.69 52.34 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 112.794 0.664 . . . . 0.0 112.794 -178.368 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 571' ' ' TRP . . . . . 0.453 ' CH2' ' HB2' ' A' ' 588' ' ' LYS . 0.8 OUTLIER -46.24 167.3 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 120.937 0.399 . . . . 0.0 111.58 -179.713 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 3.4 m -57.01 -47.18 81.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.886 -179.16 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 573' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -163.34 87.34 0.54 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.833 0.349 . . . . 0.0 111.337 -179.647 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 574' ' ' CYS . . . . . 0.433 ' HG ' ' CE1' ' A' ' 591' ' ' HIS . 43.3 t -101.67 -50.22 3.77 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.573 179.65 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . 74.81 43.89 26.75 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.913 -0.66 . . . . 0.0 112.681 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 576' ' ' LYS . . . . . . . . . . . . . 58.1 mttt -144.83 122.93 12.12 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-O 120.823 0.344 . . . . 0.0 110.977 179.792 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 5.6 mtt180 -89.48 163.56 15.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.632 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 578' ' ' PHE . . . . . 0.421 ' CD2' ' HB3' ' A' ' 583' ' ' GLU . 60.4 m-85 -136.74 163.91 29.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.116 0.484 . . . . 0.0 111.449 -179.346 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 579' ' ' THR . . . . . . . . . . . . . 1.7 m -109.92 -17.92 13.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.831 179.636 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 580' ' ' ARG . . . . . 0.426 ' HD3' ' N ' ' A' ' 580' ' ' ARG . 1.3 mpp_? -130.19 137.16 49.94 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-O 120.88 0.371 . . . . 0.0 111.138 -179.845 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 581' ' ' SER . . . . . 0.439 ' O ' ' HG ' ' A' ' 584' ' ' LEU . 0.3 OUTLIER -60.64 -21.94 63.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.066 179.737 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 582' ' ' ASP . . . . . 0.426 ' HA ' ' HG2' ' A' ' 585' ' ' GLN . 1.1 m-20 -73.21 -34.49 65.96 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.772 -179.307 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 583' ' ' GLU . . . . . 0.452 ' O ' ' HB3' ' A' ' 587' ' ' HIS . 4.0 tp10 -55.07 -55.33 32.28 Favored 'General case' 0 CA--C 1.509 -0.604 0 CA-C-O 120.837 0.351 . . . . 0.0 111.232 -179.542 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 584' ' ' LEU . . . . . 0.614 HD12 ' OE1' ' A' ' 585' ' ' GLN . 0.0 OUTLIER -53.97 -32.62 54.53 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.964 -179.457 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 585' ' ' GLN . . . . . 0.614 ' OE1' HD12 ' A' ' 584' ' ' LEU . 5.3 mm100 -63.89 -56.25 16.68 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.122 0.487 . . . . 0.0 109.952 179.042 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 586' ' ' ARG . . . . . 0.431 ' HA ' ' HB2' ' A' ' 589' ' ' ARG . 2.6 ptm180 -72.63 -39.54 67.15 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.718 -0.673 . . . . 0.0 112.431 -179.842 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 587' ' ' HIS . . . . . 0.452 ' HB3' ' O ' ' A' ' 583' ' ' GLU . 0.1 OUTLIER -65.3 -52.34 54.76 Favored 'General case' 0 CA--C 1.519 -0.218 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 -179.854 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 588' ' ' LYS . . . . . 0.493 ' HA ' ' HB2' ' A' ' 591' ' ' HIS . 14.2 pttt -59.8 -30.87 69.2 Favored 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 178.404 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 589' ' ' ARG . . . . . 0.431 ' HB2' ' HA ' ' A' ' 586' ' ' ARG . 0.0 OUTLIER -47.08 -32.68 4.3 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 114.996 -1.002 . . . . 0.0 110.784 179.396 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 590' ' ' THR . . . . . . . . . . . . . 4.0 t -123.91 27.98 7.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.649 179.754 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 591' ' ' HIS . . . . . 0.493 ' HB2' ' HA ' ' A' ' 588' ' ' LYS . 1.7 t-80 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.916 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 566' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_endo . . . . . 0 N--CA 1.463 -0.293 0 CA-C-O 120.701 0.209 . . . . 0.0 112.631 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 567' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 -129.33 104.13 7.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.796 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 568' ' ' MET . . . . . 0.422 ' CE ' HG23 ' A' ' 570' ' ' THR . 0.0 OUTLIER -147.28 121.16 9.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.082 -179.884 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 569' ' ' CYS . . . . . 0.409 ' N ' ' CD2' ' A' ' 584' ' ' LEU . 0.1 OUTLIER -60.17 125.35 23.35 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 179.552 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 570' ' ' THR . . . . . 0.422 HG23 ' CE ' ' A' ' 568' ' ' MET . 2.6 p -92.9 37.85 1.02 Allowed 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 111.972 0.36 . . . . 0.0 111.972 -178.717 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 571' ' ' TRP . . . . . 0.468 ' CZ2' ' HB2' ' A' ' 588' ' ' LYS . 1.2 m-90 -65.31 169.22 6.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.879 0.371 . . . . 0.0 111.129 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -52.08 -46.95 65.4 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.654 -179.439 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 573' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -161.14 73.0 0.45 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.902 0.382 . . . . 0.0 111.133 -179.804 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 574' ' ' CYS . . . . . . . . . . . . . 41.6 t -101.5 -46.47 4.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.533 179.648 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . 58.47 64.27 4.47 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.614 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 576' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -155.5 123.81 5.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.867 0.365 . . . . 0.0 110.938 179.81 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -89.52 163.53 15.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.654 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 578' ' ' PHE . . . . . . . . . . . . . 41.8 m-85 -138.16 163.68 31.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.031 0.444 . . . . 0.0 111.435 -179.452 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 579' ' ' THR . . . . . . . . . . . . . 30.0 m -108.02 -15.89 14.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.108 179.819 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 580' ' ' ARG . . . . . . . . . . . . . 7.9 mmt85 -140.5 140.26 35.26 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.872 0.367 . . . . 0.0 110.699 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 581' ' ' SER . . . . . 0.609 ' HA ' HD12 ' A' ' 584' ' ' LEU . 0.9 OUTLIER -58.25 -39.9 80.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.063 -179.845 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -52.66 -34.09 50.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.207 -179.722 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 583' ' ' GLU . . . . . 0.523 ' O ' ' HB3' ' A' ' 587' ' ' HIS . 4.3 tp10 -56.68 -55.11 38.19 Favored 'General case' 0 CA--C 1.507 -0.688 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.914 179.602 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 584' ' ' LEU . . . . . 0.609 HD12 ' HA ' ' A' ' 581' ' ' SER . 0.8 OUTLIER -53.91 -33.01 55.37 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.112 -179.311 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 585' ' ' GLN . . . . . 0.47 ' NE2' ' O ' ' A' ' 581' ' ' SER . 0.1 OUTLIER -66.03 -56.14 13.1 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.047 0.451 . . . . 0.0 109.806 179.354 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 586' ' ' ARG . . . . . 0.416 ' O ' ' HB2' ' A' ' 589' ' ' ARG . 1.0 OUTLIER -72.61 -37.91 67.96 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.887 -0.597 . . . . 0.0 112.175 179.842 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 587' ' ' HIS . . . . . 0.523 ' HB3' ' O ' ' A' ' 583' ' ' GLU . 0.1 OUTLIER -65.51 -43.36 90.32 Favored 'General case' 0 CA--C 1.518 -0.283 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 -179.951 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 588' ' ' LYS . . . . . 0.525 ' HG3' ' N ' ' A' ' 589' ' ' ARG . 0.2 OUTLIER -60.01 -32.35 70.79 Favored 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 178.437 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 589' ' ' ARG . . . . . 0.525 ' N ' ' HG3' ' A' ' 588' ' ' LYS . 0.0 OUTLIER -50.66 -27.85 7.76 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-N 114.719 -1.128 . . . . 0.0 110.804 179.522 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 590' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -116.54 26.73 9.66 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.779 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 591' ' ' HIS . . . . . 0.434 ' HB2' ' HA ' ' A' ' 588' ' ' LYS . 1.8 t-80 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.971 -179.923 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 566' ' ' PRO . . . . . 0.42 ' HD2' ' CE2' ' A' ' 567' ' ' PHE . 83.2 Cg_endo . . . . . 0 N--CA 1.463 -0.271 0 N-CA-C 112.798 0.268 . . . . 0.0 112.798 . . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 567' ' ' PHE . . . . . 0.42 ' CE2' ' HD2' ' A' ' 566' ' ' PRO . 14.3 m-85 -129.32 90.84 3.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.867 0.365 . . . . 0.0 110.769 179.716 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 568' ' ' MET . . . . . 0.53 ' C ' HD21 ' A' ' 584' ' ' LEU . 0.7 OUTLIER -136.24 135.85 39.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.771 179.931 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 569' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -55.89 143.69 30.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.372 179.912 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 39.6 p -89.55 13.62 13.5 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 112.765 0.654 . . . . 0.0 112.765 -178.429 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 571' ' ' TRP . . . . . 0.468 ' CZ2' ' HB3' ' A' ' 591' ' ' HIS . 0.8 OUTLIER -56.32 168.32 0.55 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.795 0.331 . . . . 0.0 110.998 -179.995 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 57.7 m -57.65 -47.06 83.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.445 -179.526 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 573' ' ' TYR . . . . . 0.405 ' O ' ' CD2' ' A' ' 573' ' ' TYR . 15.8 p90 -163.9 86.32 0.49 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.924 0.393 . . . . 0.0 110.957 -179.905 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 574' ' ' CYS . . . . . . . . . . . . . 9.2 t -101.6 -50.06 3.83 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.96 -179.961 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . 81.08 4.01 90.58 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.821 -179.897 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 576' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.59 99.37 12.3 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-O 120.811 0.339 . . . . 0.0 110.959 -179.886 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 26.9 mtt85 -89.52 144.24 26.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.553 179.73 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 578' ' ' PHE . . . . . 0.489 ' CD2' ' HB3' ' A' ' 583' ' ' GLU . 20.1 m-85 -134.27 164.11 28.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.452 -179.475 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 579' ' ' THR . . . . . 0.404 ' O ' HG22 ' A' ' 579' ' ' THR . 59.5 m -105.88 -7.37 18.27 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.486 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 580' ' ' ARG . . . . . 0.407 ' HD2' ' N ' ' A' ' 580' ' ' ARG . 1.7 mpt_? -130.62 137.12 49.47 Favored 'General case' 0 N--CA 1.456 -0.158 0 CA-C-O 120.81 0.338 . . . . 0.0 111.009 -179.766 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 581' ' ' SER . . . . . 0.401 ' O ' ' HG2' ' A' ' 585' ' ' GLN . 9.8 t -60.03 -33.54 72.16 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.499 179.671 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.54 -40.7 65.72 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.049 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 583' ' ' GLU . . . . . 0.566 ' O ' ' HB3' ' A' ' 587' ' ' HIS . 2.6 tp10 -55.23 -55.42 31.47 Favored 'General case' 0 CA--C 1.509 -0.605 0 CA-C-O 121.054 0.454 . . . . 0.0 110.6 179.612 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 584' ' ' LEU . . . . . 0.537 ' H ' HD12 ' A' ' 584' ' ' LEU . 6.5 mp -55.23 -33.26 62.96 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.745 -179.232 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 585' ' ' GLN . . . . . 0.439 ' O ' ' HG2' ' A' ' 589' ' ' ARG . 21.9 mm-40 -66.63 -56.78 9.1 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.326 -0.55 . . . . 0.0 109.932 179.62 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 586' ' ' ARG . . . . . 0.549 ' O ' ' HB2' ' A' ' 589' ' ' ARG . 2.3 ptm180 -72.78 -36.99 67.75 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.898 0.703 . . . . 0.0 112.898 -179.722 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 587' ' ' HIS . . . . . 0.566 ' HB3' ' O ' ' A' ' 583' ' ' GLU . 0.1 OUTLIER -68.35 -34.81 76.76 Favored 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 -179.616 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 588' ' ' LYS . . . . . 0.457 ' HB2' ' O ' ' A' ' 584' ' ' LEU . 87.7 mttt -72.77 -28.73 62.78 Favored 'General case' 0 N--CA 1.45 -0.433 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 178.27 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 589' ' ' ARG . . . . . 0.549 ' HB2' ' O ' ' A' ' 586' ' ' ARG . 12.2 mmm-85 -54.09 -24.65 18.26 Favored 'General case' 0 C--O 1.231 0.119 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.85 179.62 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 590' ' ' THR . . . . . . . . . . . . . 7.9 t -113.74 17.66 17.96 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.137 179.941 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 591' ' ' HIS . . . . . 0.468 ' HB3' ' CZ2' ' A' ' 571' ' ' TRP . 0.1 OUTLIER . . . . . 0 C--N 1.331 -0.222 0 CA-C-O 120.895 0.379 . . . . 0.0 110.773 179.983 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 566' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_endo . . . . . 0 N--CA 1.464 -0.246 0 CA-C-O 120.714 0.214 . . . . 0.0 112.594 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 567' ' ' PHE . . . . . 0.494 ' HB3' HD11 ' A' ' 584' ' ' LEU . 63.3 m-85 -129.32 93.49 3.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.77 179.885 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 568' ' ' MET . . . . . . . . . . . . . 16.8 ptt? -135.13 127.51 30.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.876 -179.945 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 569' ' ' CYS . . . . . 0.426 ' N ' ' CD2' ' A' ' 584' ' ' LEU . 0.5 OUTLIER -62.35 130.65 46.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.264 -0.425 . . . . 0.0 109.864 179.732 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 1.2 p -88.72 16.04 7.34 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 112.67 0.619 . . . . 0.0 112.67 -178.383 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 571' ' ' TRP . . . . . 0.508 ' CZ2' ' HB2' ' A' ' 588' ' ' LYS . 0.8 OUTLIER -50.23 171.64 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.886 0.374 . . . . 0.0 111.307 179.995 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 60.2 p -56.72 -47.02 80.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.435 -179.555 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 573' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -165.34 84.19 0.36 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.833 0.349 . . . . 0.0 111.13 -179.817 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 574' ' ' CYS . . . . . 0.428 ' HG ' ' CE1' ' A' ' 591' ' ' HIS . 51.7 t -101.6 -50.17 3.8 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.723 179.803 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . 71.45 47.41 35.35 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.557 179.953 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 576' ' ' LYS . . . . . . . . . . . . . 43.1 mttm -145.44 121.42 10.69 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-O 120.851 0.357 . . . . 0.0 111.024 179.899 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.43 163.58 15.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.626 179.815 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 578' ' ' PHE . . . . . . . . . . . . . 38.4 m-85 -136.83 163.69 30.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.003 0.43 . . . . 0.0 111.602 -179.27 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 579' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -106.19 -15.58 14.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.063 179.754 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 580' ' ' ARG . . . . . . . . . . . . . 4.7 mtm180 -142.24 149.02 39.06 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.878 0.371 . . . . 0.0 110.764 179.953 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 581' ' ' SER . . . . . 0.427 ' HA ' HD12 ' A' ' 584' ' ' LEU . 0.3 OUTLIER -64.21 -37.2 86.63 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.08 -179.839 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -52.47 -37.98 58.31 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.431 -179.551 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 583' ' ' GLU . . . . . 0.534 ' O ' ' HB3' ' A' ' 587' ' ' HIS . 5.1 tt0 -55.65 -55.04 36.77 Favored 'General case' 0 CA--C 1.508 -0.668 0 CA-C-O 120.858 0.361 . . . . 0.0 110.993 179.641 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 584' ' ' LEU . . . . . 0.507 ' O ' ' HG2' ' A' ' 588' ' ' LYS . 1.7 mp -53.89 -33.06 55.39 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.136 -179.294 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 585' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -65.13 -56.73 11.27 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.015 0.436 . . . . 0.0 109.979 179.277 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 586' ' ' ARG . . . . . 0.42 ' O ' ' HB2' ' A' ' 589' ' ' ARG . 0.3 OUTLIER -72.87 -37.56 67.3 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.896 -0.593 . . . . 0.0 112.325 179.914 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 587' ' ' HIS . . . . . 0.534 ' HB3' ' O ' ' A' ' 583' ' ' GLU . 0.2 OUTLIER -65.85 -41.94 91.07 Favored 'General case' 0 CA--C 1.518 -0.261 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 -179.972 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 588' ' ' LYS . . . . . 0.521 ' HG3' ' N ' ' A' ' 589' ' ' ARG . 0.1 OUTLIER -61.84 -32.65 72.99 Favored 'General case' 0 N--CA 1.45 -0.444 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 178.303 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 589' ' ' ARG . . . . . 0.521 ' N ' ' HG3' ' A' ' 588' ' ' LYS . 0.1 OUTLIER -50.87 -26.99 6.51 Favored 'General case' 0 C--O 1.231 0.121 0 CA-C-N 114.736 -1.12 . . . . 0.0 111.028 179.634 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 590' ' ' THR . . . . . . . . . . . . . 9.2 t -120.37 30.33 7.01 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.758 179.928 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 591' ' ' HIS . . . . . 0.428 ' CE1' ' HG ' ' A' ' 574' ' ' CYS . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.861 -179.944 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 566' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo . . . . . 0 C--O 1.231 0.161 0 CA-C-O 120.903 0.293 . . . . 0.0 112.437 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 567' ' ' PHE . . . . . 0.426 ' CE1' ' HB3' ' A' ' 581' ' ' SER . 59.7 m-85 -129.36 100.48 5.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.807 179.857 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 568' ' ' MET . . . . . . . . . . . . . 18.8 ptp -138.15 130.26 28.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.055 -179.953 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 569' ' ' CYS . . . . . 0.511 ' N ' HD22 ' A' ' 584' ' ' LEU . 0.5 OUTLIER -57.32 135.49 56.5 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.195 179.753 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 17.3 p -92.83 33.92 1.12 Allowed 'General case' 0 N--CA 1.463 0.212 0 N-CA-C 112.57 0.581 . . . . 0.0 112.57 -178.441 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 571' ' ' TRP . . . . . 0.478 ' CZ2' ' HB2' ' A' ' 588' ' ' LYS . 1.3 m-90 -67.22 -177.43 0.67 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.86 0.362 . . . . 0.0 110.939 179.552 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 2.6 t -70.69 -46.87 62.36 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.95 -179.962 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 573' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -158.2 77.64 0.8 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 179.938 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 574' ' ' CYS . . . . . . . . . . . . . 41.7 t -101.23 -49.91 3.93 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.723 179.95 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . 63.03 61.59 6.26 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.627 179.885 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 576' ' ' LYS . . . . . . . . . . . . . 2.8 mtpm? -154.37 107.53 2.87 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-O 120.921 0.391 . . . . 0.0 110.895 179.827 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 4.3 mtt180 -89.5 156.48 18.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.676 179.968 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 578' ' ' PHE . . . . . 0.49 ' CD2' ' HB3' ' A' ' 583' ' ' GLU . 9.9 m-85 -135.87 163.89 29.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.032 0.444 . . . . 0.0 111.277 -179.869 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 579' ' ' THR . . . . . . . . . . . . . 27.2 m -100.6 -6.04 25.85 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.464 -179.928 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 580' ' ' ARG . . . . . . . . . . . . . 2.3 mmm180 -138.82 137.12 36.33 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.834 0.349 . . . . 0.0 110.883 -179.762 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 581' ' ' SER . . . . . 0.452 ' O ' ' NE2' ' A' ' 585' ' ' GLN . 88.3 p -59.29 -38.36 80.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.389 179.695 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 582' ' ' ASP . . . . . 0.416 ' O ' ' HG3' ' A' ' 586' ' ' ARG . 85.1 m-20 -52.84 -35.08 56.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.281 -179.981 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 583' ' ' GLU . . . . . 0.565 ' O ' ' HB3' ' A' ' 587' ' ' HIS . 4.8 tp10 -55.22 -56.14 23.36 Favored 'General case' 0 CA--C 1.509 -0.622 0 CA-C-O 120.998 0.428 . . . . 0.0 110.928 179.917 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 584' ' ' LEU . . . . . 0.511 HD22 ' N ' ' A' ' 569' ' ' CYS . 18.8 mt -55.7 -33.77 64.48 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.706 -179.2 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 585' ' ' GLN . . . . . 0.46 ' O ' ' CG ' ' A' ' 588' ' ' LYS . 0.1 OUTLIER -64.78 -56.35 14.12 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.0 0.428 . . . . 0.0 109.902 179.803 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 586' ' ' ARG . . . . . 0.557 ' O ' ' HB2' ' A' ' 589' ' ' ARG . 24.9 mtm180 -73.5 -38.24 65.44 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.938 -0.574 . . . . 0.0 112.526 179.782 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 587' ' ' HIS . . . . . 0.565 ' HB3' ' O ' ' A' ' 583' ' ' GLU . 0.1 OUTLIER -64.62 -36.77 85.32 Favored 'General case' 0 CA--C 1.518 -0.276 0 C-N-CA 120.299 -0.56 . . . . 0.0 109.762 -179.11 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 588' ' ' LYS . . . . . 0.478 ' HB2' ' CZ2' ' A' ' 571' ' ' TRP . 0.6 OUTLIER -62.82 -30.59 71.6 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 178.662 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 589' ' ' ARG . . . . . 0.557 ' HB2' ' O ' ' A' ' 586' ' ' ARG . 31.2 mmt180 -50.25 -29.39 9.45 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.214 -0.903 . . . . 0.0 110.866 179.478 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 590' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -113.48 28.97 8.35 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.948 -179.672 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 591' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.909 -179.904 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 566' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo . . . . . 0 C--O 1.232 0.182 0 CA-C-O 120.851 0.271 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 567' ' ' PHE . . . . . 0.419 ' CD1' ' HB3' ' A' ' 581' ' ' SER . 79.0 m-85 -129.23 131.48 47.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.702 179.752 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 568' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -147.35 129.22 15.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.198 -179.817 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 569' ' ' CYS . . . . . 0.419 ' HB2' ' CE3' ' A' ' 571' ' ' TRP . 7.7 p -63.25 150.89 42.01 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 179.187 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 40.4 p -89.08 24.45 2.12 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 -179.028 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 571' ' ' TRP . . . . . 0.47 ' CZ2' ' HB2' ' A' ' 588' ' ' LYS . 7.9 m-90 -101.07 98.23 8.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.78 0.324 . . . . 0.0 110.738 179.386 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 67.0 m -50.24 -46.19 54.58 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.029 -179.851 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 573' ' ' TYR . . . . . . . . . . . . . 31.5 t80 -62.58 -18.27 61.78 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.066 179.806 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 574' ' ' CYS . . . . . 0.468 ' HB2' ' CE1' ' A' ' 591' ' ' HIS . 33.7 t -82.49 -50.38 8.9 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.221 -179.827 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . 47.79 70.02 0.81 Allowed Glycine 0 C--N 1.331 0.277 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.461 -179.71 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 576' ' ' LYS . . . . . 0.435 ' HE2' ' CE2' ' A' ' 578' ' ' PHE . 6.4 tttp -156.24 133.02 10.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.871 0.367 . . . . 0.0 111.096 -179.666 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 15.3 mtt-85 -89.59 158.63 17.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.499 179.739 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 578' ' ' PHE . . . . . 0.438 ' CD2' ' HB3' ' A' ' 583' ' ' GLU . 53.2 m-85 -128.77 160.87 31.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.044 0.45 . . . . 0.0 111.462 -179.613 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 579' ' ' THR . . . . . . . . . . . . . 4.5 m -90.84 -21.41 21.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.578 179.472 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 580' ' ' ARG . . . . . . . . . . . . . 32.5 mmm180 -141.36 137.13 32.12 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.43 179.697 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 581' ' ' SER . . . . . 0.613 ' HA ' HD23 ' A' ' 584' ' ' LEU . 0.1 OUTLIER -56.59 -38.62 72.27 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.101 -179.724 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -52.64 -35.36 54.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.781 -179.539 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 583' ' ' GLU . . . . . 0.555 ' O ' ' HB3' ' A' ' 587' ' ' HIS . 4.5 tp10 -56.95 -55.95 27.96 Favored 'General case' 0 CA--C 1.509 -0.623 0 CA-C-O 121.056 0.455 . . . . 0.0 111.187 -179.84 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 584' ' ' LEU . . . . . 0.613 HD23 ' HA ' ' A' ' 581' ' ' SER . 0.7 OUTLIER -56.35 -32.68 64.93 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.341 -178.905 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 585' ' ' GLN . . . . . 0.429 ' O ' ' HG2' ' A' ' 588' ' ' LYS . 0.4 OUTLIER -62.76 -56.82 14.06 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 179.294 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 586' ' ' ARG . . . . . 0.59 ' O ' ' HD2' ' A' ' 589' ' ' ARG . 0.0 OUTLIER -73.39 -41.7 63.03 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.949 -0.569 . . . . 0.0 112.458 179.474 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 587' ' ' HIS . . . . . 0.555 ' HB3' ' O ' ' A' ' 583' ' ' GLU . 0.0 OUTLIER -58.82 -26.09 63.8 Favored 'General case' 0 C--N 1.333 -0.142 0 C-N-CA 120.646 -0.422 . . . . 0.0 110.114 -179.522 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 588' ' ' LYS . . . . . 0.542 ' HB3' ' O ' ' A' ' 584' ' ' LEU . 6.3 pttt -65.28 -27.97 69.0 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.92 178.983 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 589' ' ' ARG . . . . . 0.59 ' HD2' ' O ' ' A' ' 586' ' ' ARG . 0.0 OUTLIER -45.36 -29.42 1.05 Allowed 'General case' 0 C--O 1.231 0.121 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.751 -179.545 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 590' ' ' THR . . . . . 0.428 ' N ' ' CD ' ' A' ' 589' ' ' ARG . 9.5 t -113.22 37.18 3.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.804 179.705 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 591' ' ' HIS . . . . . 0.468 ' CE1' ' HB2' ' A' ' 574' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.868 -179.967 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 566' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_endo . . . . . 0 N--CA 1.464 -0.219 0 N-CA-C 112.937 0.322 . . . . 0.0 112.937 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 567' ' ' PHE . . . . . . . . . . . . . 32.3 m-85 -129.31 105.58 8.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.731 179.733 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 568' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -147.45 125.71 12.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.022 -179.944 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 569' ' ' CYS . . . . . 0.408 ' N ' ' CD2' ' A' ' 584' ' ' LEU . 0.1 OUTLIER -60.69 125.28 23.12 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 179.522 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 31.9 p -93.77 34.9 1.17 Allowed 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 111.965 0.358 . . . . 0.0 111.965 -178.812 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 571' ' ' TRP . . . . . 0.494 ' CZ2' ' HB2' ' A' ' 588' ' ' LYS . 1.2 m-90 -60.33 171.87 0.97 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.849 0.357 . . . . 0.0 111.072 179.732 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 87.6 p -53.45 -46.95 70.08 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.306 -179.714 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 573' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -161.94 75.35 0.46 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.003 0.43 . . . . 0.0 110.917 179.967 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 574' ' ' CYS . . . . . . . . . . . . . 40.4 t -101.45 -49.1 4.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.711 179.857 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . 62.62 64.33 3.94 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.444 179.981 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 576' ' ' LYS . . . . . . . . . . . . . 33.6 mttt -158.02 121.13 3.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.807 0.337 . . . . 0.0 110.909 179.902 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 7.8 mtp85 -89.55 163.47 15.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 179.901 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 578' ' ' PHE . . . . . 0.437 ' CD2' ' HB3' ' A' ' 583' ' ' GLU . 75.6 m-85 -139.75 163.71 31.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.31 -179.528 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 579' ' ' THR . . . . . . . . . . . . . 68.6 m -100.6 -16.07 17.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.269 179.944 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 580' ' ' ARG . . . . . . . . . . . . . 1.1 mtt85 -147.4 142.53 27.14 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-O 120.81 0.338 . . . . 0.0 110.947 -179.966 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 581' ' ' SER . . . . . 0.782 ' HA ' HD12 ' A' ' 584' ' ' LEU . 1.4 m -58.76 -24.87 62.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.94 179.813 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -58.86 -43.46 90.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.094 -179.917 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 583' ' ' GLU . . . . . 0.467 ' O ' ' HB3' ' A' ' 587' ' ' HIS . 3.3 tp10 -55.11 -49.0 72.84 Favored 'General case' 0 CA--C 1.509 -0.62 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.893 179.85 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 584' ' ' LEU . . . . . 0.782 HD12 ' HA ' ' A' ' 581' ' ' SER . 2.6 mt -53.82 -32.72 53.78 Favored 'General case' 0 C--N 1.318 -0.761 0 C-N-CA 120.625 -0.43 . . . . 0.0 110.177 179.763 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 585' ' ' GLN . . . . . 0.721 ' HG2' ' N ' ' A' ' 586' ' ' ARG . 0.0 OUTLIER -64.18 -56.06 17.42 Favored 'General case' 0 N--CA 1.449 -0.517 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 178.828 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 586' ' ' ARG . . . . . 0.721 ' N ' ' HG2' ' A' ' 585' ' ' GLN . 0.1 OUTLIER -73.57 -41.25 63.17 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.59 -0.732 . . . . 0.0 112.37 179.842 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 587' ' ' HIS . . . . . 0.467 ' HB3' ' O ' ' A' ' 583' ' ' GLU . 0.1 OUTLIER -63.7 -48.19 78.13 Favored 'General case' 0 CA--C 1.519 -0.222 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 -179.279 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 588' ' ' LYS . . . . . 0.518 ' HG2' ' O ' ' A' ' 585' ' ' GLN . 10.6 pttt -57.54 -31.75 66.41 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 178.378 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 589' ' ' ARG . . . . . 0.421 ' CB ' ' O ' ' A' ' 586' ' ' ARG . 0.0 OUTLIER -48.76 -29.32 4.38 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 114.837 -1.074 . . . . 0.0 110.842 179.413 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 590' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -114.58 26.18 10.41 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.852 179.95 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 591' ' ' HIS . . . . . 0.461 ' HB2' ' HA ' ' A' ' 588' ' ' LYS . 1.2 t-80 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.891 -179.895 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 566' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.834 0.264 . . . . 0.0 112.333 . . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 567' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -106.15 107.09 17.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.698 179.898 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 568' ' ' MET . . . . . 0.423 ' CB ' ' HA ' ' A' ' 577' ' ' ARG . 9.2 ptt? -112.02 134.04 53.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.028 -179.831 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 569' ' ' CYS . . . . . 0.567 ' HA ' HD23 ' A' ' 584' ' ' LEU . 0.5 OUTLIER -53.57 124.41 14.93 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.218 179.766 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 14.7 p -94.56 35.93 1.19 Allowed 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 112.122 0.415 . . . . 0.0 112.122 -178.557 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 571' ' ' TRP . . . . . 0.506 ' CD1' ' CE1' ' A' ' 591' ' ' HIS . 1.2 m-90 -61.47 173.79 0.86 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.725 0.298 . . . . 0.0 110.777 179.64 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 4.9 m -53.22 -46.94 69.31 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.193 -179.785 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 573' ' ' TYR . . . . . . . . . . . . . 13.0 p90 -166.64 76.05 0.18 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.6 179.85 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 574' ' ' CYS . . . . . 0.424 ' HB2' ' CE1' ' A' ' 591' ' ' HIS . 53.6 t -97.75 -50.3 4.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.103 -179.619 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . 74.03 52.88 7.47 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.663 -0.78 . . . . 0.0 112.402 -179.865 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 576' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -152.05 115.37 4.75 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.808 0.337 . . . . 0.0 110.803 179.887 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 577' ' ' ARG . . . . . 0.423 ' HA ' ' CB ' ' A' ' 568' ' ' MET . 25.8 mtp85 -94.42 154.99 17.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.132 -179.835 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 578' ' ' PHE . . . . . 0.48 ' CD1' ' HG2' ' A' ' 583' ' ' GLU . 5.4 m-85 -139.66 163.92 31.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.123 179.992 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 579' ' ' THR . . . . . . . . . . . . . 24.4 m -105.45 -7.45 18.71 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.58 -179.9 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 580' ' ' ARG . . . . . . . . . . . . . 3.8 mmt-85 -135.5 137.12 41.81 Favored 'General case' 0 N--CA 1.456 -0.147 0 CA-C-O 120.876 0.369 . . . . 0.0 111.01 -179.787 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 581' ' ' SER . . . . . . . . . . . . . 88.4 p -60.83 -34.16 74.15 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.543 179.76 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -54.19 -39.24 66.46 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.07 179.918 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 583' ' ' GLU . . . . . 0.519 ' O ' ' HB3' ' A' ' 587' ' ' HIS . 7.2 tp10 -55.29 -55.3 32.99 Favored 'General case' 0 CA--C 1.508 -0.639 0 CA-C-O 121.133 0.492 . . . . 0.0 110.677 179.557 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 584' ' ' LEU . . . . . 0.567 HD23 ' HA ' ' A' ' 569' ' ' CYS . 6.5 mp -54.31 -35.72 62.94 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.544 -179.073 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 585' ' ' GLN . . . . . 0.466 ' O ' ' HG2' ' A' ' 588' ' ' LYS . 23.8 mm-40 -62.27 -56.83 14.72 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 179.582 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 586' ' ' ARG . . . . . 0.568 ' O ' ' HB3' ' A' ' 589' ' ' ARG . 0.5 OUTLIER -73.73 -42.37 61.24 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 113.1 0.778 . . . . 0.0 113.1 179.953 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 587' ' ' HIS . . . . . 0.519 ' HB3' ' O ' ' A' ' 583' ' ' GLU . 0.0 OUTLIER -57.43 -33.57 68.05 Favored 'General case' 0 CA--C 1.52 -0.19 0 C-N-CA 120.511 -0.476 . . . . 0.0 110.47 -178.174 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 588' ' ' LYS . . . . . 0.466 ' HG2' ' O ' ' A' ' 585' ' ' GLN . 0.3 OUTLIER -53.3 -27.36 22.56 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.047 178.838 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 589' ' ' ARG . . . . . 0.568 ' HB3' ' O ' ' A' ' 586' ' ' ARG . 0.0 OUTLIER -44.96 -31.15 1.18 Allowed 'General case' 0 N--CA 1.462 0.149 0 CA-C-N 115.505 -0.771 . . . . 0.0 110.87 -179.097 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 590' ' ' THR . . . . . 0.447 HG22 ' O ' ' A' ' 587' ' ' HIS . 14.9 t -107.97 34.9 3.34 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.901 179.919 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 591' ' ' HIS . . . . . 0.506 ' CE1' ' CD1' ' A' ' 571' ' ' TRP . 0.1 OUTLIER . . . . . 0 C--N 1.327 -0.383 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.839 -179.929 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 566' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo . . . . . 0 N--CA 1.463 -0.298 0 CA-C-O 120.737 0.224 . . . . 0.0 112.647 . . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 567' ' ' PHE . . . . . . . . . . . . . 58.4 m-85 -103.58 91.0 3.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.689 179.754 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 568' ' ' MET . . . . . 0.468 ' HB3' ' CG ' ' A' ' 577' ' ' ARG . 0.0 OUTLIER -119.36 145.49 46.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.322 -179.806 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 569' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -64.98 133.68 52.26 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 179.217 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 76.4 p -84.58 36.21 0.59 Allowed 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 113.245 0.832 . . . . 0.0 113.245 -177.807 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 571' ' ' TRP . . . . . 0.566 ' CZ2' ' HB2' ' A' ' 588' ' ' LYS . 0.5 OUTLIER -68.16 -177.3 0.84 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.818 0.342 . . . . 0.0 110.84 179.453 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 2.6 p -61.07 -45.17 95.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.868 179.95 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 573' ' ' TYR . . . . . . . . . . . . . 16.5 t80 -163.62 72.08 0.27 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.947 179.92 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 574' ' ' CYS . . . . . . . . . . . . . 15.4 t -91.67 -50.03 5.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.708 179.91 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . 66.23 12.52 58.28 Favored Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 120.931 -0.652 . . . . 0.0 113.103 179.69 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 576' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -95.41 101.17 12.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.815 0.34 . . . . 0.0 110.888 179.94 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 577' ' ' ARG . . . . . 0.468 ' CG ' ' HB3' ' A' ' 568' ' ' MET . 12.8 mtm105 -89.59 141.89 28.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.985 -179.926 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 578' ' ' PHE . . . . . 0.561 ' CD2' ' HB3' ' A' ' 583' ' ' GLU . 14.8 m-85 -128.39 163.89 23.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.036 -179.854 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 579' ' ' THR . . . . . . . . . . . . . 24.2 m -92.18 -6.37 50.78 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.529 -179.916 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 580' ' ' ARG . . . . . . . . . . . . . 3.0 mmm180 -142.02 137.15 30.91 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.809 0.338 . . . . 0.0 110.883 -179.777 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 581' ' ' SER . . . . . 0.612 ' HA ' HD23 ' A' ' 584' ' ' LEU . 0.3 OUTLIER -57.46 -37.31 72.66 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.492 179.837 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -52.75 -35.73 56.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.438 179.995 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 583' ' ' GLU . . . . . 0.561 ' HB3' ' CD2' ' A' ' 578' ' ' PHE . 10.6 tp10 -55.58 -56.37 21.14 Favored 'General case' 0 CA--C 1.509 -0.613 0 CA-C-O 120.95 0.405 . . . . 0.0 111.205 -179.813 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 584' ' ' LEU . . . . . 0.612 HD23 ' HA ' ' A' ' 581' ' ' SER . 0.7 OUTLIER -56.36 -33.0 65.25 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.14 -179.238 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 585' ' ' GLN . . . . . 0.441 ' O ' ' HG3' ' A' ' 588' ' ' LYS . 0.3 OUTLIER -63.5 -55.25 25.54 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.084 0.468 . . . . 0.0 109.904 179.199 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 586' ' ' ARG . . . . . 0.445 ' HG3' ' N ' ' A' ' 587' ' ' HIS . 4.8 ptm180 -72.53 -39.74 67.31 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.81 -0.632 . . . . 0.0 112.022 179.826 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 587' ' ' HIS . . . . . 0.551 ' HB3' ' O ' ' A' ' 583' ' ' GLU . 0.0 OUTLIER -64.57 -47.24 79.47 Favored 'General case' 0 CA--C 1.52 -0.188 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 -179.886 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 588' ' ' LYS . . . . . 0.566 ' HB2' ' CZ2' ' A' ' 571' ' ' TRP . 0.0 OUTLIER -65.39 -30.68 71.52 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-O 121.445 0.64 . . . . 0.0 109.358 178.485 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 589' ' ' ARG . . . . . 0.442 ' N ' ' HG3' ' A' ' 588' ' ' LYS . 0.1 OUTLIER -46.65 -29.86 2.05 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.003 -0.999 . . . . 0.0 111.145 179.88 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 590' ' ' THR . . . . . . . . . . . . . 5.0 t -128.93 39.23 3.82 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.857 -179.909 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 591' ' ' HIS . . . . . 0.481 ' HD2' ' CE1' ' A' ' 587' ' ' HIS . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.67 -179.786 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 566' ' ' PRO . . . . . 0.412 ' HD2' ' CE2' ' A' ' 567' ' ' PHE . 87.8 Cg_endo . . . . . 0 N--CA 1.464 -0.218 0 N-CA-C 112.742 0.247 . . . . 0.0 112.742 . . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 567' ' ' PHE . . . . . 0.797 ' HB3' HD11 ' A' ' 584' ' ' LEU . 8.1 m-85 -129.39 104.7 7.64 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.645 179.795 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 568' ' ' MET . . . . . . . . . . . . . 23.9 ptt? -144.22 117.06 8.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.843 0.354 . . . . 0.0 111.233 -179.82 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 569' ' ' CYS . . . . . 0.79 ' HB2' HD23 ' A' ' 584' ' ' LEU . 2.1 t -91.39 13.66 16.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.756 179.66 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 570' ' ' THR . . . . . 0.824 HG22 ' H ' ' A' ' 576' ' ' LYS . 4.0 p -72.72 51.74 0.28 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.53 -0.305 . . . . 0.0 110.592 179.514 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 571' ' ' TRP . . . . . 0.518 ' NE1' ' HB2' ' A' ' 574' ' ' CYS . 0.0 OUTLIER -44.75 -98.97 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 111.778 0.288 . . . . 0.0 111.778 -179.519 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 34.1 t -90.88 -46.82 7.97 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-O 120.658 0.266 . . . . 0.0 111.134 -179.739 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 573' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -154.81 52.89 0.64 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.434 -179.736 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 574' ' ' CYS . . . . . 0.518 ' HB2' ' NE1' ' A' ' 571' ' ' TRP . 0.0 OUTLIER -90.55 -42.08 11.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.909 0.385 . . . . 0.0 110.157 179.494 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . 56.64 67.87 1.99 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.986 -0.626 . . . . 0.0 113.225 179.475 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 576' ' ' LYS . . . . . 0.824 ' H ' HG22 ' A' ' 570' ' ' THR . 2.4 mttp -169.39 114.16 0.54 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.844 0.354 . . . . 0.0 110.831 179.503 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 26.0 mtt-85 -89.37 163.47 15.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.509 179.945 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 578' ' ' PHE . . . . . 0.448 ' CE2' ' HG2' ' A' ' 583' ' ' GLU . 91.6 m-85 -148.39 160.55 42.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.066 0.46 . . . . 0.0 111.502 -179.596 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 579' ' ' THR . . . . . 0.413 ' O ' ' CE2' ' A' ' 567' ' ' PHE . 58.7 m -110.91 -11.68 14.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.095 179.821 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 580' ' ' ARG . . . . . . . . . . . . . 13.4 mmt-85 -128.23 137.13 51.88 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.851 0.358 . . . . 0.0 110.628 179.892 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 581' ' ' SER . . . . . . . . . . . . . 3.5 p -65.43 -30.08 70.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 -179.997 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 582' ' ' ASP . . . . . 0.409 ' HA ' ' HG2' ' A' ' 585' ' ' GLN . 0.4 OUTLIER -65.02 -35.63 81.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.269 -179.845 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 583' ' ' GLU . . . . . 0.464 ' O ' ' HB3' ' A' ' 587' ' ' HIS . 2.6 tt0 -55.25 -55.1 35.16 Favored 'General case' 0 CA--C 1.511 -0.543 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.169 -179.921 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 584' ' ' LEU . . . . . 0.797 HD11 ' HB3' ' A' ' 567' ' ' PHE . 2.3 mp -54.4 -33.45 59.35 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.166 -179.463 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 585' ' ' GLN . . . . . 0.428 ' O ' ' HG3' ' A' ' 588' ' ' LYS . 21.7 mm-40 -62.24 -56.36 19.38 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.533 -0.467 . . . . 0.0 109.864 179.147 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 586' ' ' ARG . . . . . . . . . . . . . 2.7 ptp180 -72.86 -42.3 63.86 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.847 -0.615 . . . . 0.0 112.343 179.792 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 587' ' ' HIS . . . . . 0.464 ' HB3' ' O ' ' A' ' 583' ' ' GLU . 0.1 OUTLIER -62.91 -47.57 82.69 Favored 'General case' 0 CA--C 1.521 -0.156 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 -179.393 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 588' ' ' LYS . . . . . 0.441 ' HA ' ' HB2' ' A' ' 591' ' ' HIS . 0.0 OUTLIER -61.7 -31.41 71.55 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 178.323 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 589' ' ' ARG . . . . . 0.433 ' N ' ' HG3' ' A' ' 588' ' ' LYS . 0.0 OUTLIER -48.12 -29.67 3.85 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 114.865 -1.061 . . . . 0.0 111.02 179.539 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 590' ' ' THR . . . . . . . . . . . . . 4.5 t -121.31 34.18 5.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.866 -179.983 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 591' ' ' HIS . . . . . 0.441 ' HB2' ' HA ' ' A' ' 588' ' ' LYS . 1.8 t-80 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.929 -179.895 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 566' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo . . . . . 0 N--CA 1.462 -0.355 0 CA-C-O 120.772 0.238 . . . . 0.0 112.571 . . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 567' ' ' PHE . . . . . . . . . . . . . 61.7 m-85 -129.33 111.3 12.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.857 179.953 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 568' ' ' MET . . . . . . . . . . . . . 3.7 ptt? -147.38 111.16 5.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.192 -179.941 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 569' ' ' CYS . . . . . 0.565 ' HB3' HD23 ' A' ' 584' ' ' LEU . 0.5 OUTLIER -58.39 131.97 52.27 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.238 179.556 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 14.5 p -130.68 40.08 3.54 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 111.904 0.335 . . . . 0.0 111.904 -179.28 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 571' ' ' TRP . . . . . 0.639 ' CZ2' ' HB3' ' A' ' 588' ' ' LYS . 2.3 m95 -54.03 -99.86 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 120.918 -0.313 . . . . 0.0 110.92 179.85 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 572' ' ' SER . . . . . 0.483 ' H ' ' HB2' ' A' ' 571' ' ' TRP . 0.4 OUTLIER -102.24 -47.15 4.6 Favored 'General case' 0 C--O 1.231 0.09 0 CA-C-O 120.921 0.391 . . . . 0.0 111.0 179.793 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 573' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -179.2 79.83 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.736 -179.934 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 574' ' ' CYS . . . . . 0.455 ' HB3' ' SG ' ' A' ' 569' ' ' CYS . 34.8 t -101.48 -50.25 3.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.803 -179.907 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . 68.41 58.95 6.61 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.558 -179.95 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 576' ' ' LYS . . . . . . . . . . . . . 4.3 mtpp -154.36 124.81 6.96 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.913 0.387 . . . . 0.0 111.019 179.852 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 60.3 mtt-85 -89.56 163.43 15.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.82 179.961 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 578' ' ' PHE . . . . . 0.492 ' CD2' ' HB3' ' A' ' 583' ' ' GLU . 1.8 m-85 -138.48 163.98 30.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.13 -179.945 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 579' ' ' THR . . . . . . . . . . . . . 4.1 m -99.14 -7.94 25.9 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.629 -179.748 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 580' ' ' ARG . . . . . . . . . . . . . 3.0 mmt180 -146.72 137.12 23.73 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.854 0.359 . . . . 0.0 111.133 -179.82 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 581' ' ' SER . . . . . 0.687 ' HA ' HD12 ' A' ' 584' ' ' LEU . 0.2 OUTLIER -59.67 -31.68 69.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.546 179.737 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -56.12 -37.56 69.6 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.912 179.879 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 583' ' ' GLU . . . . . 0.581 ' O ' ' HB3' ' A' ' 587' ' ' HIS . 3.1 tt0 -55.41 -55.29 33.32 Favored 'General case' 0 CA--C 1.509 -0.633 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.82 179.625 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 584' ' ' LEU . . . . . 0.687 HD12 ' HA ' ' A' ' 581' ' ' SER . 0.4 OUTLIER -54.41 -33.12 58.76 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.475 -179.47 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 585' ' ' GLN . . . . . . . . . . . . . 24.9 mm-40 -65.11 -56.87 10.47 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.408 -0.517 . . . . 0.0 109.956 179.59 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 586' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.25 -37.98 66.15 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.728 -0.669 . . . . 0.0 112.717 179.924 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 587' ' ' HIS . . . . . 0.581 ' HB3' ' O ' ' A' ' 583' ' ' GLU . 0.2 OUTLIER -67.3 -34.76 78.04 Favored 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 -179.424 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 588' ' ' LYS . . . . . 0.639 ' HB3' ' CZ2' ' A' ' 571' ' ' TRP . 0.0 OUTLIER -68.34 -31.33 70.66 Favored 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 108.52 -0.919 . . . . 0.0 108.52 177.553 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 589' ' ' ARG . . . . . 0.52 ' N ' ' HG3' ' A' ' 588' ' ' LYS . 0.0 OUTLIER -55.06 -28.54 53.13 Favored 'General case' 0 N--CA 1.456 -0.167 0 CA-C-N 114.593 -1.185 . . . . 0.0 111.186 179.835 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 590' ' ' THR . . . . . . . . . . . . . 7.1 t -128.69 35.89 4.3 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.146 -179.715 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 591' ' ' HIS . . . . . 0.425 ' HE2' ' HG ' ' A' ' 574' ' ' CYS . 4.5 t-80 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.507 179.73 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 566' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo . . . . . 0 N--CA 1.464 -0.264 0 N-CA-C 112.853 0.289 . . . . 0.0 112.853 . . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 567' ' ' PHE . . . . . . . . . . . . . 53.6 m-85 -129.35 90.98 3.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.475 -0.329 . . . . 0.0 110.824 179.801 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 568' ' ' MET . . . . . . . . . . . . . 1.5 ptp -136.08 133.13 37.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.959 -179.888 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 569' ' ' CYS . . . . . 0.43 ' N ' ' CD2' ' A' ' 584' ' ' LEU . 0.5 OUTLIER -61.53 132.92 54.92 Favored 'General case' 0 CA--C 1.532 0.277 0 N-CA-C 109.765 -0.457 . . . . 0.0 109.765 179.635 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 68.5 p -85.18 39.46 0.77 Allowed 'General case' 0 N--CA 1.464 0.241 0 N-CA-C 112.903 0.705 . . . . 0.0 112.903 -178.135 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 571' ' ' TRP . . . . . 0.508 ' CZ2' ' HB2' ' A' ' 588' ' ' LYS . 0.8 OUTLIER -72.39 -176.92 2.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.906 0.384 . . . . 0.0 111.069 179.624 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 13.1 m -88.26 -34.38 17.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.191 -179.742 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 573' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -157.23 52.47 0.48 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.85 0.357 . . . . 0.0 111.356 -179.783 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 574' ' ' CYS . . . . . . . . . . . . . 47.9 t -86.3 -44.14 12.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.523 179.648 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . 56.43 54.71 34.05 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.653 179.831 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 576' ' ' LYS . . . . . 0.432 ' HD2' ' CZ ' ' A' ' 578' ' ' PHE . 0.7 OUTLIER -145.23 115.11 7.36 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-O 120.798 0.332 . . . . 0.0 110.976 179.865 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 3.3 mtt180 -89.46 163.63 15.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.548 179.844 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 578' ' ' PHE . . . . . 0.446 ' CE1' HD23 ' A' ' 584' ' ' LEU . 64.0 m-85 -139.6 163.77 31.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.131 0.491 . . . . 0.0 111.804 -179.174 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 579' ' ' THR . . . . . . . . . . . . . 60.8 m -108.32 -9.76 15.43 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.925 179.577 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 580' ' ' ARG . . . . . . . . . . . . . 15.9 mmm180 -146.0 137.13 24.63 Favored 'General case' 0 N--CA 1.456 -0.164 0 CA-C-O 120.786 0.327 . . . . 0.0 110.662 179.943 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 581' ' ' SER . . . . . 0.762 ' HA ' HD12 ' A' ' 584' ' ' LEU . 0.4 OUTLIER -56.97 -30.19 63.89 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.891 -179.953 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -55.95 -40.51 73.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.339 -179.789 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 583' ' ' GLU . . . . . 0.478 ' O ' ' HB3' ' A' ' 587' ' ' HIS . 4.2 tp10 -55.35 -53.22 58.9 Favored 'General case' 0 CA--C 1.51 -0.592 0 CA-C-O 120.824 0.345 . . . . 0.0 111.028 179.916 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 584' ' ' LEU . . . . . 0.762 HD12 ' HA ' ' A' ' 581' ' ' SER . 0.7 OUTLIER -53.98 -32.97 55.71 Favored 'General case' 0 C--N 1.318 -0.773 0 C-N-CA 120.565 -0.454 . . . . 0.0 110.944 -179.463 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 585' ' ' GLN . . . . . 0.452 ' O ' ' HG2' ' A' ' 588' ' ' LYS . 20.7 mm-40 -65.15 -55.66 17.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.168 0.509 . . . . 0.0 109.816 178.863 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 586' ' ' ARG . . . . . 0.47 ' HA ' ' HB2' ' A' ' 589' ' ' ARG . 0.0 OUTLIER -72.74 -40.78 65.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.725 -0.67 . . . . 0.0 112.403 179.971 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 587' ' ' HIS . . . . . 0.508 ' CE1' ' HD2' ' A' ' 591' ' ' HIS . 0.0 OUTLIER -64.83 -45.42 86.23 Favored 'General case' 0 CA--C 1.521 -0.135 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 -179.567 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 588' ' ' LYS . . . . . 0.508 ' HB2' ' CZ2' ' A' ' 571' ' ' TRP . 13.9 ptmt -66.42 -32.04 73.17 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 178.123 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 589' ' ' ARG . . . . . 0.47 ' HB2' ' HA ' ' A' ' 586' ' ' ARG . 0.4 OUTLIER -46.54 -29.03 1.6 Allowed 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 114.885 -1.052 . . . . 0.0 111.221 179.834 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 590' ' ' THR . . . . . . . . . . . . . 4.5 t -130.14 44.51 2.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.707 -179.914 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 591' ' ' HIS . . . . . 0.685 ' CG ' ' O ' ' A' ' 591' ' ' HIS . 1.5 t60 . . . . . 0 CA--C 1.534 0.361 0 CA-C-O 121.298 0.57 . . . . 0.0 110.661 -179.477 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 566' ' ' PRO . . . . . . . . . . . . . 94.0 Cg_endo . . . . . 0 N--CA 1.461 -0.392 0 N-CA-C 112.795 0.267 . . . . 0.0 112.795 . . . . . . . . . 0 0 . 1 . 031 nuclear build core ' A' A ' 567' ' ' PHE . . . . . 0.814 ' HB3' HD11 ' A' ' 584' ' ' LEU . 11.6 m-85 -129.54 107.14 9.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.549 179.729 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 568' ' ' MET . . . . . . . . . . . . . 11.9 ptt? -147.45 104.79 3.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.857 0.361 . . . . 0.0 111.249 -179.839 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 569' ' ' CYS . . . . . 0.604 ' HB2' HD23 ' A' ' 584' ' ' LEU . 1.7 t -72.3 100.47 2.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.654 179.71 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 17.3 p -131.46 49.75 2.29 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.503 179.258 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 571' ' ' TRP . . . . . 0.508 ' CE2' ' SG ' ' A' ' 569' ' ' CYS . 3.2 m95 -40.15 -86.53 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 120.323 -0.551 . . . . 0.0 111.02 -179.217 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 572' ' ' SER . . . . . 0.459 ' H ' ' HB2' ' A' ' 571' ' ' TRP . 1.2 m -103.43 -47.14 4.37 Favored 'General case' 0 C--N 1.333 -0.11 0 CA-C-O 120.886 0.374 . . . . 0.0 110.975 179.811 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 573' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -163.88 60.47 0.16 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.003 -179.686 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 574' ' ' CYS . . . . . . . . . . . . . 22.9 t -84.51 -49.38 8.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.626 179.859 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . 63.01 67.0 2.25 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.444 -179.962 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 576' ' ' LYS . . . . . . . . . . . . . 4.0 tttt -166.63 122.54 1.2 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.865 0.364 . . . . 0.0 110.929 179.909 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 9.0 mtt180 -89.92 163.53 14.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.986 -179.914 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 578' ' ' PHE . . . . . 0.454 ' CD1' ' HG2' ' A' ' 583' ' ' GLU . 35.1 m-85 -138.33 163.48 31.73 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.904 -179.875 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 579' ' ' THR . . . . . . . . . . . . . 7.4 m -114.2 -9.87 12.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.306 179.924 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 580' ' ' ARG . . . . . . . . . . . . . 3.8 mmt85 -138.44 137.11 36.89 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.837 0.351 . . . . 0.0 110.943 -180.0 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 581' ' ' SER . . . . . . . . . . . . . 7.3 t -60.29 -39.02 85.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.76 179.799 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -53.92 -35.92 62.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.236 179.984 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 583' ' ' GLU . . . . . 0.61 ' O ' ' HB3' ' A' ' 587' ' ' HIS . 3.9 tp10 -55.52 -56.16 23.55 Favored 'General case' 0 CA--C 1.511 -0.539 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.107 179.998 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 584' ' ' LEU . . . . . 0.814 HD11 ' HB3' ' A' ' 567' ' ' PHE . 2.4 mp -56.7 -33.2 66.24 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.321 -179.576 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 585' ' ' GLN . . . . . 0.521 ' O ' ' HG2' ' A' ' 588' ' ' LYS . 0.2 OUTLIER -61.4 -56.74 16.95 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.113 0.482 . . . . 0.0 110.034 179.398 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 586' ' ' ARG . . . . . . . . . . . . . 2.4 ptp180 -74.98 -40.67 60.59 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.906 -0.588 . . . . 0.0 112.172 179.65 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 587' ' ' HIS . . . . . 0.61 ' HB3' ' O ' ' A' ' 583' ' ' GLU . 0.9 OUTLIER -64.03 -44.7 91.74 Favored 'General case' 0 N--CA 1.456 -0.168 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 -179.23 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 588' ' ' LYS . . . . . 0.521 ' HG2' ' O ' ' A' ' 585' ' ' GLN . 44.5 pttt -61.95 -32.21 72.62 Favored 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 177.848 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 589' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -48.83 -27.15 2.82 Favored 'General case' 0 C--O 1.231 0.108 0 CA-C-N 114.656 -1.156 . . . . 0.0 111.431 179.797 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 590' ' ' THR . . . . . . . . . . . . . 3.7 t -124.75 44.08 2.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.976 -179.705 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 591' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.145 -179.959 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 565' ' ' ARG . . . . . 0.766 ' HG2' HG23 ' A' ' 579' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.525 0.203 . . . . 0.0 111.09 . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 566' ' ' PRO . . . . . 0.41 ' HD2' ' CE2' ' A' ' 567' ' ' PHE . 93.6 Cg_endo -83.22 46.91 2.24 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.673 2.249 . . . . 0.0 112.834 -179.771 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 567' ' ' PHE . . . . . 0.41 ' CE2' ' HD2' ' A' ' 566' ' ' PRO . 12.5 m-85 -129.41 91.21 3.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.68 179.8 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 568' ' ' MET . . . . . . . . . . . . . 3.9 mtt -129.34 133.24 47.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.168 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 569' ' ' CYS . . . . . 0.422 ' HA ' HD22 ' A' ' 584' ' ' LEU . 7.4 p -66.81 146.13 54.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.111 179.478 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 77.6 p -73.13 -28.02 62.02 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.641 -179.182 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 571' ' ' TRP . . . . . 0.44 ' CE3' ' HD3' ' A' ' 588' ' ' LYS . 2.8 m-90 -56.39 103.83 0.12 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.818 0.342 . . . . 0.0 110.941 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 48.9 m -60.35 -46.27 90.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.905 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 573' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -59.29 -27.74 66.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 574' ' ' CYS . . . . . 0.434 ' HB2' ' CE1' ' A' ' 591' ' ' HIS . 49.5 t -59.07 -50.21 74.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.993 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . 53.71 59.85 9.16 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.406 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 576' ' ' LYS . . . . . 0.407 ' HD3' ' CZ ' ' A' ' 578' ' ' PHE . 1.0 OUTLIER -155.44 126.66 7.17 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-O 120.873 0.368 . . . . 0.0 110.96 -179.826 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.51 163.57 15.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.739 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 578' ' ' PHE . . . . . 0.407 ' CZ ' ' HD3' ' A' ' 576' ' ' LYS . 25.3 m-85 -134.27 163.76 28.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.17 -179.677 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 579' ' ' THR . . . . . 0.766 HG23 ' HG2' ' A' ' 565' ' ' ARG . 14.1 m -111.62 -15.65 13.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.303 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 580' ' ' ARG . . . . . . . . . . . . . 17.1 mmt180 -127.57 137.15 52.51 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.872 0.368 . . . . 0.0 110.789 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 581' ' ' SER . . . . . 0.43 ' HA ' HD12 ' A' ' 584' ' ' LEU . 94.2 p -62.97 -38.88 92.88 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.65 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -55.81 -36.84 67.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.456 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 583' ' ' GLU . . . . . 0.545 ' O ' ' HB3' ' A' ' 587' ' ' HIS . 3.0 tp10 -55.35 -55.42 31.75 Favored 'General case' 0 CA--C 1.511 -0.525 0 CA-C-O 120.884 0.373 . . . . 0.0 111.029 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 584' ' ' LEU . . . . . 0.49 ' O ' ' HB2' ' A' ' 588' ' ' LYS . 1.3 mt -56.39 -36.92 69.43 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.54 -179.446 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 585' ' ' GLN . . . . . . . . . . . . . 26.2 mm-40 -59.4 -56.36 23.01 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.06 0.457 . . . . 0.0 109.969 179.441 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 586' ' ' ARG . . . . . 0.488 ' HG3' ' N ' ' A' ' 587' ' ' HIS . 9.9 ptm180 -72.68 -42.21 64.53 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.658 -0.701 . . . . 0.0 112.46 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 587' ' ' HIS . . . . . 0.545 ' HB3' ' O ' ' A' ' 583' ' ' GLU . 0.1 OUTLIER -64.47 -50.39 67.67 Favored 'General case' 0 CA--C 1.522 -0.127 0 N-CA-C 109.735 -0.468 . . . . 0.0 109.735 -179.425 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 588' ' ' LYS . . . . . 0.49 ' HB2' ' O ' ' A' ' 584' ' ' LEU . 7.4 mttp -62.57 -28.41 69.86 Favored 'General case' 0 N--CA 1.454 -0.267 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 178.145 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 589' ' ' ARG . . . . . 0.441 ' HB2' ' HA ' ' A' ' 586' ' ' ARG . 0.0 OUTLIER -48.22 -27.48 2.47 Favored 'General case' 0 C--O 1.231 0.119 0 CA-C-N 115.295 -0.866 . . . . 0.0 111.348 179.764 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 590' ' ' THR . . . . . . . . . . . . . 9.8 t -127.34 23.87 6.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.494 -179.582 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 591' ' ' HIS . . . . . 0.434 ' CE1' ' HB2' ' A' ' 574' ' ' CYS . 0.3 OUTLIER -67.88 -29.19 68.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.779 0.323 . . . . 0.0 110.741 179.817 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 592' ' ' THR . . . . . . . . . . . . . 2.6 p -151.98 159.62 43.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.915 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 593' ' ' GLY . . . . . . . . . . . . . . . 59.25 -118.98 16.01 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.544 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 594' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -163.35 -44.68 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.859 0.361 . . . . 0.0 110.945 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 595' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.248 1.025 0 CA-C-O 118.217 -0.897 . . . . 0.0 110.898 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 565' ' ' ARG . . . . . 0.486 ' N ' ' HD2' ' A' ' 566' ' ' PRO . 13.4 ttt180 . . . . . 0 N--CA 1.49 1.529 0 N-CA-C 111.816 0.302 . . . . 0.0 111.816 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 566' ' ' PRO . . . . . 0.486 ' HD2' ' N ' ' A' ' 565' ' ' ARG . 56.6 Cg_endo -70.65 62.78 2.29 Favored 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 122.071 1.847 . . . . 0.0 112.442 -179.77 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 567' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -129.24 111.07 12.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.63 179.682 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 568' ' ' MET . . . . . . . . . . . . . 2.2 ttp -132.91 126.93 33.21 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.069 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 569' ' ' CYS . . . . . 0.493 ' CA ' HD22 ' A' ' 584' ' ' LEU . 8.5 p -62.26 146.52 50.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.254 179.598 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 36.7 p -73.09 -20.46 60.95 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.727 -179.257 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 571' ' ' TRP . . . . . 0.666 ' HZ2' HG23 ' A' ' 592' ' ' THR . 1.2 m-90 -56.48 152.24 11.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.792 0.33 . . . . 0.0 110.936 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -101.52 -32.51 10.35 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.612 -179.347 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 573' ' ' TYR . . . . . . . . . . . . . 50.6 p90 -94.82 26.67 3.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.727 0.299 . . . . 0.0 111.419 -179.734 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 574' ' ' CYS . . . . . 0.409 ' HB2' ' CE1' ' A' ' 591' ' ' HIS . 53.9 t -101.65 -50.23 3.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.839 0.352 . . . . 0.0 110.63 179.637 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . 51.96 52.63 34.13 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.966 -0.635 . . . . 0.0 112.781 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 576' ' ' LYS . . . . . . . . . . . . . 2.2 mtpp -145.98 129.66 17.08 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-O 120.84 0.352 . . . . 0.0 111.058 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 5.5 mtt85 -89.52 163.46 15.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.532 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 578' ' ' PHE . . . . . 0.588 ' CD1' HD21 ' A' ' 584' ' ' LEU . 49.8 m-85 -135.54 163.7 29.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.982 0.42 . . . . 0.0 111.303 -179.575 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 579' ' ' THR . . . . . . . . . . . . . 29.7 m -113.62 -15.55 12.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.154 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 580' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -129.23 137.08 50.89 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.779 0.323 . . . . 0.0 110.73 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 581' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.95 -43.95 97.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.8 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -52.63 -35.63 55.06 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.215 -179.804 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 583' ' ' GLU . . . . . 0.5 ' O ' ' HB3' ' A' ' 587' ' ' HIS . 3.1 tp10 -55.33 -55.33 32.78 Favored 'General case' 0 CA--C 1.511 -0.529 0 CA-C-O 120.904 0.383 . . . . 0.0 110.956 179.81 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 584' ' ' LEU . . . . . 0.588 HD21 ' CD1' ' A' ' 578' ' ' PHE . 13.0 mt -55.68 -39.36 70.89 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.481 -179.391 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 585' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -56.59 -55.64 31.37 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.18 0.514 . . . . 0.0 109.844 179.562 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 586' ' ' ARG . . . . . 0.453 ' HA ' ' HB2' ' A' ' 589' ' ' ARG . 13.3 mtt180 -72.57 -45.83 57.32 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.543 -0.753 . . . . 0.0 112.223 179.77 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 587' ' ' HIS . . . . . 0.5 ' HB3' ' O ' ' A' ' 583' ' ' GLU . 0.1 OUTLIER -60.73 -50.53 73.1 Favored 'General case' 0 CA--C 1.521 -0.171 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 -179.506 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 588' ' ' LYS . . . . . 0.495 ' HB2' ' O ' ' A' ' 584' ' ' LEU . 4.1 mttp -60.73 -28.46 68.69 Favored 'General case' 0 N--CA 1.452 -0.325 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 178.007 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 589' ' ' ARG . . . . . 0.453 ' HB2' ' HA ' ' A' ' 586' ' ' ARG . 0.3 OUTLIER -55.22 -31.51 61.54 Favored 'General case' 0 N--CA 1.457 -0.118 0 CA-C-N 115.294 -0.866 . . . . 0.0 111.035 179.552 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 590' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -111.42 9.22 21.43 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.474 -179.789 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 591' ' ' HIS . . . . . 0.466 ' HB2' ' HA ' ' A' ' 588' ' ' LYS . 0.2 OUTLIER -63.75 -49.81 71.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.792 0.33 . . . . 0.0 110.927 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 592' ' ' THR . . . . . 0.666 HG23 ' HZ2' ' A' ' 571' ' ' TRP . 24.2 p -80.32 -66.46 0.88 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.919 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 593' ' ' GLY . . . . . . . . . . . . . . . 135.32 134.41 3.36 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.538 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 594' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 62.29 -80.25 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.737 0.303 . . . . 0.0 111.024 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 595' ' ' LYS . . . . . . . . . . . . . 1.7 tttm . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.25 -0.881 . . . . 0.0 110.887 -179.987 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 565' ' ' ARG . . . . . 0.423 ' O ' ' HA ' ' A' ' 579' ' ' THR . 7.6 mtm-85 . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.76 0.314 . . . . 0.0 111.162 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 566' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo -65.06 103.72 0.52 Allowed 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 122.615 2.21 . . . . 0.0 112.551 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 567' ' ' PHE . . . . . 0.404 ' CE2' ' HB2' ' A' ' 581' ' ' SER . 8.1 m-85 -123.39 90.91 3.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.458 179.666 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 568' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -82.28 123.11 28.76 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.466 -179.448 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 569' ' ' CYS . . . . . 0.712 ' HA ' HD23 ' A' ' 584' ' ' LEU . 11.9 p -64.59 152.09 42.98 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 178.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 32.7 p -73.02 -18.6 61.32 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 111.814 0.301 . . . . 0.0 111.814 -178.851 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 571' ' ' TRP . . . . . 0.449 ' CZ3' ' HB2' ' A' ' 588' ' ' LYS . 2.7 m-90 -63.86 98.02 0.18 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.855 0.359 . . . . 0.0 110.658 179.568 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -53.99 -46.86 71.85 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.249 -179.768 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 573' ' ' TYR . . . . . . . . . . . . . 36.6 m-85 -55.7 -22.92 25.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.109 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 574' ' ' CYS . . . . . 0.429 ' HB2' ' CE1' ' A' ' 591' ' ' HIS . 37.1 t -79.3 -50.22 11.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.041 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . 52.41 27.57 25.7 Favored Glycine 0 C--N 1.331 0.284 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.524 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 576' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -102.92 160.19 14.83 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-O 120.891 0.377 . . . . 0.0 111.186 -179.638 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 3.0 mtm180 -114.24 163.49 15.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.542 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 578' ' ' PHE . . . . . 0.713 ' HB2' HD11 ' A' ' 584' ' ' LEU . 82.0 m-85 -141.58 163.69 32.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.977 0.418 . . . . 0.0 111.384 -179.745 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 579' ' ' THR . . . . . 0.423 ' HA ' ' O ' ' A' ' 565' ' ' ARG . 6.5 m -106.29 -11.45 16.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.15 179.804 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 580' ' ' ARG . . . . . . . . . . . . . 21.5 mmt85 -137.82 145.53 42.39 Favored 'General case' 0 N--CA 1.456 -0.152 0 CA-C-O 120.903 0.382 . . . . 0.0 110.923 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 581' ' ' SER . . . . . 0.404 ' HB2' ' CE2' ' A' ' 567' ' ' PHE . 0.8 OUTLIER -68.49 -43.09 77.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.759 179.921 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -52.71 -34.86 54.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.149 -179.852 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 583' ' ' GLU . . . . . 0.532 ' O ' ' HB3' ' A' ' 587' ' ' HIS . 4.1 tp10 -55.76 -55.26 34.43 Favored 'General case' 0 CA--C 1.511 -0.533 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.822 179.68 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 584' ' ' LEU . . . . . 0.713 HD11 ' HB2' ' A' ' 578' ' ' PHE . 7.4 mp -54.87 -39.46 68.69 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.358 -179.514 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 585' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -57.69 -56.24 24.46 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.195 0.522 . . . . 0.0 110.091 179.553 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 586' ' ' ARG . . . . . 0.45 ' HA ' ' HB2' ' A' ' 589' ' ' ARG . 2.0 mtm180 -72.57 -42.61 64.45 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.486 -0.779 . . . . 0.0 112.272 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 587' ' ' HIS . . . . . 0.532 ' HB3' ' O ' ' A' ' 583' ' ' GLU . 0.1 OUTLIER -64.23 -49.24 72.71 Favored 'General case' 0 CA--C 1.521 -0.17 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 -179.575 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 588' ' ' LYS . . . . . 0.452 ' CG ' ' O ' ' A' ' 584' ' ' LEU . 0.0 OUTLIER -62.23 -29.82 70.66 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 178.088 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 589' ' ' ARG . . . . . 0.45 ' HB2' ' HA ' ' A' ' 586' ' ' ARG . 0.1 OUTLIER -49.14 -29.86 5.93 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-N 114.781 -1.099 . . . . 0.0 111.165 179.571 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 590' ' ' THR . . . . . . . . . . . . . 5.3 t -125.86 36.42 4.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.822 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 591' ' ' HIS . . . . . 0.438 ' HB2' ' HA ' ' A' ' 588' ' ' LYS . 0.3 OUTLIER -84.9 -39.95 17.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.899 -179.919 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 592' ' ' THR . . . . . 0.408 HG23 ' N ' ' A' ' 593' ' ' GLY . 9.0 t -83.84 -44.46 14.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 593' ' ' GLY . . . . . 0.408 ' N ' HG23 ' A' ' 592' ' ' THR . . . 163.84 41.03 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.583 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 594' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 57.23 97.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.793 0.33 . . . . 0.0 110.978 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 595' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.228 -0.891 . . . . 0.0 110.863 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 565' ' ' ARG . . . . . 0.487 ' HB2' ' HD3' ' A' ' 566' ' ' PRO . 8.1 mtt-85 . . . . . 0 N--CA 1.489 1.499 0 N-CA-C 111.929 0.344 . . . . 0.0 111.929 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 566' ' ' PRO . . . . . 0.487 ' HD3' ' HB2' ' A' ' 565' ' ' ARG . 83.8 Cg_endo -81.66 49.73 3.27 Favored 'Trans proline' 0 C--N 1.349 0.572 0 C-N-CA 122.346 2.031 . . . . 0.0 112.899 -179.689 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 567' ' ' PHE . . . . . 0.725 ' HB3' HD11 ' A' ' 584' ' ' LEU . 45.2 m-85 -129.4 102.92 6.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.686 179.667 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 568' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -134.45 119.11 18.13 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.149 -179.873 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 569' ' ' CYS . . . . . . . . . . . . . 4.1 p -60.44 137.14 58.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.1 179.514 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 72.8 p -72.96 -13.06 61.17 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 111.877 0.325 . . . . 0.0 111.877 -178.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 571' ' ' TRP . . . . . 0.431 ' CE2' ' HB3' ' A' ' 591' ' ' HIS . 4.9 m-90 -65.06 101.89 0.57 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.818 0.342 . . . . 0.0 110.848 179.819 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -57.38 -46.87 82.94 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.047 -179.821 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 573' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -55.95 -23.49 32.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.974 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 574' ' ' CYS . . . . . 0.447 ' HB2' ' CE1' ' A' ' 591' ' ' HIS . 35.6 t -74.26 -50.27 19.72 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.048 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . 52.45 57.08 14.64 Favored Glycine 0 C--N 1.33 0.238 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.477 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 576' ' ' LYS . . . . . . . . . . . . . 15.0 mttp -145.4 147.79 32.64 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-O 120.865 0.364 . . . . 0.0 111.077 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 29.6 mtt180 -102.21 163.49 12.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.603 179.706 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 578' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -138.88 160.22 40.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.928 0.394 . . . . 0.0 111.285 -179.719 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 579' ' ' THR . . . . . . . . . . . . . 60.4 m -116.55 -7.89 11.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.154 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 580' ' ' ARG . . . . . 0.459 ' HD2' ' N ' ' A' ' 580' ' ' ARG . 2.9 mpt_? -128.77 136.96 51.26 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-O 120.73 0.3 . . . . 0.0 110.69 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 581' ' ' SER . . . . . 0.444 ' O ' ' NE2' ' A' ' 585' ' ' GLN . 10.0 t -64.86 -47.56 77.46 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.749 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -52.7 -33.29 47.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.255 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 583' ' ' GLU . . . . . 0.653 ' O ' ' HB3' ' A' ' 587' ' ' HIS . 3.4 tt0 -55.04 -55.51 30.11 Favored 'General case' 0 CA--C 1.512 -0.503 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.197 -179.821 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 584' ' ' LEU . . . . . 0.725 HD11 ' HB3' ' A' ' 567' ' ' PHE . 1.7 mt -59.93 -35.13 74.25 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.636 -179.061 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 585' ' ' GLN . . . . . 0.444 ' NE2' ' O ' ' A' ' 581' ' ' SER . 0.1 OUTLIER -61.37 -56.52 19.41 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.519 -0.472 . . . . 0.0 109.953 179.724 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 586' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.84 -41.04 65.22 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.694 -0.685 . . . . 0.0 112.41 179.755 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 587' ' ' HIS . . . . . 0.653 ' HB3' ' O ' ' A' ' 583' ' ' GLU . 0.2 OUTLIER -65.25 -48.21 74.04 Favored 'General case' 0 C--O 1.231 0.114 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 -179.596 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 588' ' ' LYS . . . . . 0.441 ' HB2' ' O ' ' A' ' 584' ' ' LEU . 78.3 mttt -61.44 -28.67 69.43 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 108.933 -0.765 . . . . 0.0 108.933 178.104 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 589' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -49.23 -27.59 3.84 Favored 'General case' 0 N--CA 1.458 -0.074 0 CA-C-N 115.309 -0.86 . . . . 0.0 111.286 179.791 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 590' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -103.23 -17.98 15.1 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.26 -179.825 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 591' ' ' HIS . . . . . 0.447 ' CE1' ' HB2' ' A' ' 574' ' ' CYS . 0.1 OUTLIER -54.13 167.11 0.32 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.948 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 592' ' ' THR . . . . . . . . . . . . . 31.3 p -132.84 116.0 15.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.977 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 593' ' ' GLY . . . . . . . . . . . . . . . 162.92 -42.97 0.34 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.567 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 594' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -91.58 -66.26 0.94 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.811 0.338 . . . . 0.0 110.967 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 595' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.248 1.02 0 CA-C-O 118.274 -0.87 . . . . 0.0 110.915 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 565' ' ' ARG . . . . . . . . . . . . . 2.0 ptt180 . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.686 0.279 . . . . 0.0 111.149 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 566' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo -83.84 47.16 2.21 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.728 2.286 . . . . 0.0 112.597 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 567' ' ' PHE . . . . . 0.762 ' HB3' HD11 ' A' ' 584' ' ' LEU . 23.7 m-85 -129.41 100.51 5.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.743 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 568' ' ' MET . . . . . 0.417 ' HG2' HG23 ' A' ' 570' ' ' THR . 25.4 ttt -147.36 95.78 2.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.491 -179.843 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 569' ' ' CYS . . . . . 0.41 ' SG ' ' CE3' ' A' ' 571' ' ' TRP . 27.5 t -77.17 81.2 3.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.176 179.381 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 570' ' ' THR . . . . . 0.417 HG23 ' HG2' ' A' ' 568' ' ' MET . 24.0 p -73.28 -23.31 60.29 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.669 -179.392 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 571' ' ' TRP . . . . . 0.472 ' CZ3' ' HE2' ' A' ' 588' ' ' LYS . 0.3 OUTLIER 39.45 -162.74 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 120.754 0.312 . . . . 0.0 111.691 -179.848 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 75.5 m -73.05 -24.32 60.68 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.823 0.344 . . . . 0.0 110.628 179.529 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 573' ' ' TYR . . . . . . . . . . . . . 49.9 p90 -172.84 38.35 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.994 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 574' ' ' CYS . . . . . 0.427 ' HB2' ' HB2' ' A' ' 571' ' ' TRP . 33.9 t -78.49 -50.16 12.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.835 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . 56.4 79.93 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.441 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 576' ' ' LYS . . . . . . . . . . . . . 7.9 mttm -168.46 143.63 3.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.854 0.359 . . . . 0.0 110.814 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 2.6 mtt85 -109.13 159.19 17.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.89 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 578' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -136.61 163.66 30.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.159 -179.727 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 579' ' ' THR . . . . . . . . . . . . . 7.4 m -118.31 -8.38 10.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.267 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 580' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -131.21 137.09 48.78 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.811 0.339 . . . . 0.0 110.781 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 581' ' ' SER . . . . . 0.445 ' HB3' ' CE1' ' A' ' 567' ' ' PHE . 12.6 p -62.73 -41.63 99.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.813 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -54.04 -36.37 62.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.309 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 583' ' ' GLU . . . . . 0.599 ' O ' ' HB3' ' A' ' 587' ' ' HIS . 4.8 tt0 -55.24 -55.08 35.36 Favored 'General case' 0 CA--C 1.513 -0.46 0 CA-C-O 120.847 0.356 . . . . 0.0 111.071 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 584' ' ' LEU . . . . . 0.762 HD11 ' HB3' ' A' ' 567' ' ' PHE . 5.3 mt -57.97 -35.3 70.98 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.717 -179.31 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 585' ' ' GLN . . . . . . . . . . . . . 26.1 mm-40 -62.18 -56.76 15.56 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 120.404 -0.518 . . . . 0.0 110.009 179.789 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 586' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.04 -39.44 65.93 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.909 0.707 . . . . 0.0 112.909 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 587' ' ' HIS . . . . . 0.599 ' HB3' ' O ' ' A' ' 583' ' ' GLU . 0.6 OUTLIER -67.75 -49.84 60.41 Favored 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 -179.389 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 588' ' ' LYS . . . . . 0.472 ' HE2' ' CZ3' ' A' ' 571' ' ' TRP . 93.9 mttt -60.74 -28.44 68.69 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 108.731 -0.841 . . . . 0.0 108.731 177.787 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 589' ' ' ARG . . . . . . . . . . . . . 2.9 tpt180 -50.28 -30.11 11.14 Favored 'General case' 0 C--O 1.231 0.081 0 CA-C-N 115.173 -0.921 . . . . 0.0 111.201 179.551 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 590' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -97.5 -21.25 17.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.267 -179.624 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 591' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -60.72 -33.16 72.48 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.883 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 592' ' ' THR . . . . . . . . . . . . . 73.8 p -90.16 152.48 21.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 593' ' ' GLY . . . . . . . . . . . . . . . -117.52 39.79 2.53 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.455 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 594' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -118.4 -42.0 2.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.816 0.341 . . . . 0.0 110.899 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 595' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.25 1.086 0 CA-C-O 118.224 -0.893 . . . . 0.0 110.808 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 565' ' ' ARG . . . . . 0.703 ' CG ' HG23 ' A' ' 579' ' ' THR . 1.4 mpp_? . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.701 0.286 . . . . 0.0 111.242 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 566' ' ' PRO . . . . . 0.414 ' HD2' ' CE2' ' A' ' 567' ' ' PHE . 84.2 Cg_endo -81.7 50.28 3.45 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.663 2.242 . . . . 0.0 112.633 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 567' ' ' PHE . . . . . 0.622 ' HB3' HD11 ' A' ' 584' ' ' LEU . 18.8 m-85 -129.27 110.22 11.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.875 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 568' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -147.21 123.85 11.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.031 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 569' ' ' CYS . . . . . 0.458 ' N ' ' CD2' ' A' ' 584' ' ' LEU . 7.7 p -58.91 149.2 27.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.328 179.769 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 52.8 p -91.77 21.04 5.06 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 111.791 0.293 . . . . 0.0 111.791 -179.358 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 571' ' ' TRP . . . . . 0.472 ' CH2' ' HB2' ' A' ' 588' ' ' LYS . 4.7 m-90 -89.11 108.21 19.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.796 0.331 . . . . 0.0 110.807 179.644 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 31.5 t -54.13 -46.9 72.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.136 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 573' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -60.07 -24.45 64.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.887 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 574' ' ' CYS . . . . . 0.44 ' HB2' ' CE1' ' A' ' 591' ' ' HIS . 8.6 t -84.51 -50.4 7.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.997 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . 47.72 27.47 4.65 Favored Glycine 0 C--N 1.331 0.286 0 C-N-CA 120.919 -0.657 . . . . 0.0 112.936 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 576' ' ' LYS . . . . . . . . . . . . . 38.3 mttm -100.37 -179.87 4.24 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-O 120.933 0.397 . . . . 0.0 111.24 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 53.5 mtt180 -136.83 163.48 30.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.654 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 578' ' ' PHE . . . . . 0.445 ' CZ ' ' HG2' ' A' ' 583' ' ' GLU . 3.4 m-85 -144.6 164.07 32.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.024 0.44 . . . . 0.0 111.358 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 579' ' ' THR . . . . . 0.703 HG23 ' CG ' ' A' ' 565' ' ' ARG . 32.5 m -107.96 -6.83 16.41 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.258 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 580' ' ' ARG . . . . . . . . . . . . . 5.1 mmm180 -133.12 137.11 46.18 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.907 0.384 . . . . 0.0 110.987 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 581' ' ' SER . . . . . 0.553 ' HA ' HD12 ' A' ' 584' ' ' LEU . 5.5 p -62.74 -37.02 84.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.831 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -58.23 -34.92 70.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.419 -179.752 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 583' ' ' GLU . . . . . 0.622 ' O ' ' HB3' ' A' ' 587' ' ' HIS . 3.5 tt0 -55.18 -55.42 31.43 Favored 'General case' 0 CA--C 1.51 -0.588 0 CA-C-O 120.848 0.356 . . . . 0.0 110.95 -179.861 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 584' ' ' LEU . . . . . 0.622 HD11 ' HB3' ' A' ' 567' ' ' PHE . 0.3 OUTLIER -57.01 -38.28 72.89 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.684 -179.154 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 585' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 -59.64 -56.4 22.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.13 0.49 . . . . 0.0 110.244 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 586' ' ' ARG . . . . . 0.443 ' O ' ' HB2' ' A' ' 589' ' ' ARG . 4.0 ptt180 -72.73 -41.02 65.64 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.678 -0.692 . . . . 0.0 112.467 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 587' ' ' HIS . . . . . 0.622 ' HB3' ' O ' ' A' ' 583' ' ' GLU . 0.2 OUTLIER -64.8 -42.29 95.15 Favored 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 109.419 -0.585 . . . . 0.0 109.419 -179.522 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 588' ' ' LYS . . . . . 0.494 ' HG2' ' O ' ' A' ' 584' ' ' LEU . 10.6 ptpt -63.97 -32.86 74.54 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 178.205 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 589' ' ' ARG . . . . . 0.443 ' HB2' ' O ' ' A' ' 586' ' ' ARG . 0.0 OUTLIER -48.4 -27.55 2.68 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-N 114.776 -1.102 . . . . 0.0 111.091 179.735 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 590' ' ' THR . . . . . . . . . . . . . 3.8 t -123.05 37.37 4.43 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.816 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 591' ' ' HIS . . . . . 0.44 ' CE1' ' HB2' ' A' ' 574' ' ' CYS . 0.2 OUTLIER -95.77 -66.99 0.87 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.835 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 592' ' ' THR . . . . . . . . . . . . . 72.2 p -129.7 153.7 47.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.875 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 593' ' ' GLY . . . . . . . . . . . . . . . 115.37 -96.54 0.76 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.489 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 594' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -116.71 -64.78 1.26 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.841 0.353 . . . . 0.0 110.918 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 595' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.2 -0.905 . . . . 0.0 110.851 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 565' ' ' ARG . . . . . 0.444 ' HB3' ' CD2' ' A' ' 567' ' ' PHE . 2.7 mmp_? . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.751 0.31 . . . . 0.0 111.193 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 566' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_endo -84.22 47.3 2.18 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.797 2.331 . . . . 0.0 112.635 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 567' ' ' PHE . . . . . 0.444 ' CD2' ' HB3' ' A' ' 565' ' ' ARG . 24.6 m-85 -129.4 110.19 11.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.802 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 568' ' ' MET . . . . . . . . . . . . . 7.0 ptt? -147.5 97.31 2.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.733 0.301 . . . . 0.0 111.468 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 569' ' ' CYS . . . . . 0.416 ' SG ' ' CE3' ' A' ' 571' ' ' TRP . 15.0 t -71.69 80.97 0.85 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.882 0.372 . . . . 0.0 110.136 179.341 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 70.2 p -73.27 -23.05 60.26 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.595 -179.504 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 571' ' ' TRP . . . . . 0.528 ' CZ2' ' HB2' ' A' ' 588' ' ' LYS . 0.2 OUTLIER 40.94 -163.15 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 120.788 0.328 . . . . 0.0 111.44 -179.842 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 1.7 m -71.8 -24.32 61.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.811 0.338 . . . . 0.0 110.7 179.509 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 573' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -172.33 38.78 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.896 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 574' ' ' CYS . . . . . 0.438 ' CB ' ' HB2' ' A' ' 571' ' ' TRP . 26.5 t -80.46 -50.09 10.54 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.908 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . 56.28 76.27 0.21 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.284 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 576' ' ' LYS . . . . . . . . . . . . . 7.7 tttm -164.93 147.35 8.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.777 0.323 . . . . 0.0 110.906 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 3.5 mtt180 -108.77 163.51 13.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.93 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 578' ' ' PHE . . . . . . . . . . . . . 45.8 m-85 -142.27 163.64 32.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.959 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 579' ' ' THR . . . . . . . . . . . . . 30.8 m -112.15 -9.08 13.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.378 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 580' ' ' ARG . . . . . . . . . . . . . 23.8 mmt85 -131.12 137.08 48.9 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.96 0.409 . . . . 0.0 111.01 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 581' ' ' SER . . . . . 0.428 ' HB3' ' CE1' ' A' ' 567' ' ' PHE . 15.7 p -67.73 -22.44 65.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.083 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 582' ' ' ASP . . . . . 0.444 ' HA ' ' HG2' ' A' ' 585' ' ' GLN . 1.5 m-20 -75.24 -33.46 61.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.345 -179.62 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 583' ' ' GLU . . . . . 0.522 ' O ' ' HB3' ' A' ' 587' ' ' HIS . 2.5 tt0 -55.05 -55.59 29.26 Favored 'General case' 0 CA--C 1.51 -0.58 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.202 -179.618 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 584' ' ' LEU . . . . . 0.572 HD12 ' OE1' ' A' ' 585' ' ' GLN . 0.0 OUTLIER -55.31 -33.17 63.07 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.217 -179.618 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 585' ' ' GLN . . . . . 0.572 ' OE1' HD12 ' A' ' 584' ' ' LEU . 5.5 mm100 -61.63 -56.9 14.81 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.49 -0.484 . . . . 0.0 110.026 179.384 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 586' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.41 -40.3 64.39 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.128 -0.487 . . . . 0.0 112.252 179.784 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 587' ' ' HIS . . . . . 0.522 ' HB3' ' O ' ' A' ' 583' ' ' GLU . 0.2 OUTLIER -64.64 -45.49 86.58 Favored 'General case' 0 C--N 1.332 -0.167 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 -179.608 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 588' ' ' LYS . . . . . 0.528 ' HB2' ' CZ2' ' A' ' 571' ' ' TRP . 0.0 OUTLIER -61.51 -31.16 71.15 Favored 'General case' 0 N--CA 1.455 -0.2 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 177.984 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 589' ' ' ARG . . . . . 0.458 ' N ' ' HG3' ' A' ' 588' ' ' LYS . 0.0 OUTLIER -51.29 -30.68 18.81 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 114.711 -1.132 . . . . 0.0 111.0 179.611 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 590' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -112.69 30.65 6.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.81 -179.838 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 591' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -99.22 -26.62 14.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.03 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 592' ' ' THR . . . . . . . . . . . . . 4.0 p 58.62 107.98 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.006 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 593' ' ' GLY . . . . . . . . . . . . . . . 150.79 -40.27 0.81 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.459 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 594' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -86.54 -31.31 21.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.841 0.353 . . . . 0.0 110.85 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 595' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.249 -0.882 . . . . 0.0 110.906 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 565' ' ' ARG . . . . . 0.448 ' HB3' ' CD2' ' A' ' 567' ' ' PHE . 0.2 OUTLIER . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.706 0.288 . . . . 0.0 111.155 . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 566' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -75.86 61.45 6.32 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.588 2.192 . . . . 0.0 112.58 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 567' ' ' PHE . . . . . 0.448 ' CD2' ' HB3' ' A' ' 565' ' ' ARG . 52.4 m-85 -125.9 121.51 33.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.885 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 568' ' ' MET . . . . . 0.574 ' N ' HD11 ' A' ' 584' ' ' LEU . 0.0 OUTLIER -147.2 140.18 25.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.911 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 569' ' ' CYS . . . . . 0.579 ' CA ' HD22 ' A' ' 584' ' ' LEU . 1.8 p -56.83 -170.45 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.518 179.75 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 66.6 p -129.81 0.02 4.83 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.223 0.453 . . . . 0.0 112.223 -179.478 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 571' ' ' TRP . . . . . 0.452 ' CZ2' ' HB3' ' A' ' 591' ' ' HIS . 0.8 OUTLIER -51.08 177.82 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.812 0.339 . . . . 0.0 111.219 -179.951 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -83.49 -46.95 11.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.606 -179.386 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 573' ' ' TYR . . . . . . . . . . . . . 18.0 t80 -135.21 70.45 1.44 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.898 0.38 . . . . 0.0 111.287 -179.683 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 574' ' ' CYS . . . . . . . . . . . . . 41.8 t -101.74 -50.32 3.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 179.759 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . 53.92 57.34 16.71 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.853 -0.689 . . . . 0.0 112.554 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 576' ' ' LYS . . . . . . . . . . . . . 66.9 tttt -152.34 107.65 3.28 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-O 120.826 0.346 . . . . 0.0 111.064 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 577' ' ' ARG . . . . . 0.409 ' O ' ' CD1' ' A' ' 578' ' ' PHE . 6.6 mtt-85 -92.41 158.63 15.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.738 179.823 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 578' ' ' PHE . . . . . 0.53 ' CD2' ' HB3' ' A' ' 583' ' ' GLU . 22.9 m-85 -135.75 164.1 28.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.029 0.443 . . . . 0.0 111.24 -179.86 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 579' ' ' THR . . . . . . . . . . . . . 16.5 m -97.4 -7.49 31.65 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.385 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 580' ' ' ARG . . . . . 0.425 ' HD2' ' N ' ' A' ' 580' ' ' ARG . 3.9 mpt_? -132.51 137.07 47.04 Favored 'General case' 0 N--CA 1.456 -0.143 0 CA-C-O 120.807 0.336 . . . . 0.0 111.03 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 581' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -62.71 -33.81 75.88 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.454 179.683 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -56.29 -37.77 70.31 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.125 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 583' ' ' GLU . . . . . 0.533 ' O ' ' HB3' ' A' ' 587' ' ' HIS . 4.6 tp10 -55.35 -55.63 29.39 Favored 'General case' 0 CA--C 1.508 -0.642 0 CA-C-O 121.028 0.442 . . . . 0.0 110.766 179.741 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 584' ' ' LEU . . . . . 0.579 HD22 ' CA ' ' A' ' 569' ' ' CYS . 83.2 mt -55.07 -34.9 64.0 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.774 -179.241 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 585' ' ' GLN . . . . . . . . . . . . . 25.6 mm-40 -63.12 -56.61 15.32 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.472 -0.491 . . . . 0.0 110.028 179.591 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 586' ' ' ARG . . . . . 0.511 ' O ' ' HB2' ' A' ' 589' ' ' ARG . 0.0 OUTLIER -72.83 -39.62 66.45 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.635 -0.711 . . . . 0.0 112.421 -179.929 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 587' ' ' HIS . . . . . 0.533 ' HB3' ' O ' ' A' ' 583' ' ' GLU . 0.0 OUTLIER -64.17 -36.89 85.54 Favored 'General case' 0 CA--C 1.518 -0.264 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 -179.813 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 588' ' ' LYS . . . . . 0.425 ' HB2' ' O ' ' A' ' 584' ' ' LEU . 29.4 mttt -68.49 -29.49 68.11 Favored 'General case' 0 N--CA 1.448 -0.538 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 177.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 589' ' ' ARG . . . . . 0.511 ' HB2' ' O ' ' A' ' 586' ' ' ARG . 18.6 mmt85 -65.08 -27.91 69.09 Favored 'General case' 0 N--CA 1.456 -0.138 0 CA-C-N 115.375 -0.83 . . . . 0.0 110.861 179.809 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 590' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -105.2 -5.27 20.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.249 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 591' ' ' HIS . . . . . 0.452 ' HB3' ' CZ2' ' A' ' 571' ' ' TRP . 0.2 OUTLIER -54.24 -53.77 49.06 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.779 0.323 . . . . 0.0 110.978 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 592' ' ' THR . . . . . . . . . . . . . 59.9 p -59.28 -67.33 0.38 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.956 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 593' ' ' GLY . . . . . . . . . . . . . . . 135.92 -30.39 2.75 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.462 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 594' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -73.47 -59.43 2.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.825 0.345 . . . . 0.0 110.83 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 595' ' ' LYS . . . . . . . . . . . . . 17.2 mttt . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.245 -0.883 . . . . 0.0 110.848 -179.984 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 565' ' ' ARG . . . . . 0.651 ' HG2' HG23 ' A' ' 579' ' ' THR . 0.7 OUTLIER . . . . . 0 N--CA 1.487 1.425 0 CA-C-O 120.675 0.274 . . . . 0.0 111.1 . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 566' ' ' PRO . . . . . 0.422 ' HD2' ' CE2' ' A' ' 567' ' ' PHE . 84.5 Cg_endo -81.7 47.63 2.59 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.72 2.28 . . . . 0.0 112.789 -179.781 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 567' ' ' PHE . . . . . 0.422 ' CE2' ' HD2' ' A' ' 566' ' ' PRO . 17.6 m-85 -129.46 90.88 3.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.676 179.687 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 568' ' ' MET . . . . . 0.402 ' HB3' ' HG2' ' A' ' 577' ' ' ARG . 5.9 ptt? -136.34 130.57 33.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.005 -179.838 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 569' ' ' CYS . . . . . 0.457 ' HA ' HD23 ' A' ' 584' ' ' LEU . 0.1 OUTLIER -58.23 128.46 37.23 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.173 179.721 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 22.3 p -92.56 23.38 4.06 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 112.304 0.483 . . . . 0.0 112.304 -178.749 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 571' ' ' TRP . . . . . 0.499 ' CZ2' ' HB2' ' A' ' 588' ' ' LYS . 0.8 OUTLIER -52.45 176.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.809 0.337 . . . . 0.0 110.999 179.839 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 55.1 p -57.19 -46.88 82.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.031 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 573' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -167.42 83.51 0.22 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.81 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 574' ' ' CYS . . . . . . . . . . . . . 52.6 t -101.53 -50.23 3.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.916 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . 71.66 55.14 7.69 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.47 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 576' ' ' LYS . . . . . . . . . . . . . 4.7 mtmt -152.67 113.97 4.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.815 0.34 . . . . 0.0 110.883 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 577' ' ' ARG . . . . . 0.414 ' O ' ' CD1' ' A' ' 578' ' ' PHE . 29.5 mtt180 -89.54 159.21 17.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.854 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 578' ' ' PHE . . . . . 0.513 ' CD2' ' HB3' ' A' ' 583' ' ' GLU . 9.4 m-85 -141.73 164.04 31.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.147 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 579' ' ' THR . . . . . 0.651 HG23 ' HG2' ' A' ' 565' ' ' ARG . 60.0 m -104.07 -7.52 20.19 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.891 -179.462 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 580' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.68 146.13 32.08 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.947 0.403 . . . . 0.0 111.346 -179.652 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 581' ' ' SER . . . . . . . . . . . . . 3.6 m -62.49 -32.84 73.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.456 179.639 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.54 -38.5 63.86 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.894 179.774 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 583' ' ' GLU . . . . . 0.513 ' HB3' ' CD2' ' A' ' 578' ' ' PHE . 2.9 tp10 -55.3 -55.15 34.79 Favored 'General case' 0 CA--C 1.51 -0.593 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.647 179.488 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 584' ' ' LEU . . . . . 0.546 ' H ' HD12 ' A' ' 584' ' ' LEU . 6.0 mp -54.23 -37.0 64.12 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.426 -179.697 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 585' ' ' GLN . . . . . 0.427 ' O ' ' HG2' ' A' ' 588' ' ' LYS . 26.1 mm-40 -61.08 -56.38 21.59 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.182 0.515 . . . . 0.0 110.343 179.664 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 586' ' ' ARG . . . . . 0.412 ' O ' ' HB2' ' A' ' 589' ' ' ARG . 1.2 mtm180 -72.83 -38.28 67.18 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.722 -0.672 . . . . 0.0 112.322 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 587' ' ' HIS . . . . . 0.511 ' HB3' ' O ' ' A' ' 583' ' ' GLU . 0.2 OUTLIER -67.83 -51.86 43.61 Favored 'General case' 0 N--CA 1.455 -0.214 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 -179.652 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 588' ' ' LYS . . . . . 0.499 ' HB2' ' CZ2' ' A' ' 571' ' ' TRP . 41.3 pttt -56.65 -29.98 62.84 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 178.265 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 589' ' ' ARG . . . . . 0.412 ' HB2' ' O ' ' A' ' 586' ' ' ARG . 0.0 OUTLIER -45.97 -29.73 1.54 Allowed 'General case' 0 C--O 1.231 0.098 0 CA-C-N 114.853 -1.067 . . . . 0.0 110.858 179.523 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 590' ' ' THR . . . . . . . . . . . . . 8.7 t -124.32 42.07 3.34 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.667 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 591' ' ' HIS . . . . . 0.443 ' HB2' ' HA ' ' A' ' 588' ' ' LYS . 0.5 OUTLIER -95.94 24.97 5.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.124 -179.836 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 592' ' ' THR . . . . . . . . . . . . . 17.9 p 53.38 98.51 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.097 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 593' ' ' GLY . . . . . . . . . . . . . . . 161.64 -166.61 36.11 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.592 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 594' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -62.5 -74.82 0.08 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.832 0.348 . . . . 0.0 110.925 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 595' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.226 -0.892 . . . . 0.0 110.908 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 565' ' ' ARG . . . . . 0.441 ' N ' ' HD2' ' A' ' 566' ' ' PRO . 5.4 mtm180 . . . . . 0 N--CA 1.491 1.6 0 CA-C-O 120.585 0.231 . . . . 0.0 111.57 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 566' ' ' PRO . . . . . 0.441 ' HD2' ' N ' ' A' ' 565' ' ' ARG . 61.0 Cg_endo -73.28 61.3 4.12 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.392 2.061 . . . . 0.0 112.424 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 567' ' ' PHE . . . . . . . . . . . . . 77.2 m-85 -122.75 100.3 6.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.678 179.805 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 568' ' ' MET . . . . . . . . . . . . . 4.5 ttt -114.53 135.4 54.16 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.086 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 569' ' ' CYS . . . . . 0.483 ' HA ' HD23 ' A' ' 584' ' ' LEU . 11.4 p -59.27 140.82 55.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.151 179.605 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 35.4 p -73.47 -5.44 40.03 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.955 0.724 . . . . 0.0 112.955 -178.328 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 571' ' ' TRP . . . . . 0.506 ' CD1' ' CE1' ' A' ' 591' ' ' HIS . 0.6 OUTLIER -49.25 172.69 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 120.776 0.322 . . . . 0.0 111.204 -179.689 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -91.57 -47.06 7.61 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 112.057 0.391 . . . . 0.0 112.057 -178.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 573' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -132.71 66.4 1.56 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.811 0.338 . . . . 0.0 111.599 -179.366 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 574' ' ' CYS . . . . . . . . . . . . . 43.4 t -101.86 -50.36 3.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.663 179.457 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . 65.94 51.54 44.83 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.897 -0.668 . . . . 0.0 112.689 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 576' ' ' LYS . . . . . . . . . . . . . 10.9 mtpp -147.05 122.1 10.09 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-O 120.824 0.345 . . . . 0.0 111.035 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 11.6 mtt180 -89.49 163.55 15.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.738 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 578' ' ' PHE . . . . . 0.405 ' CE1' ' HB3' ' A' ' 569' ' ' CYS . 37.5 m-85 -139.65 163.76 31.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.969 0.414 . . . . 0.0 111.401 -179.386 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 579' ' ' THR . . . . . . . . . . . . . 28.6 m -113.68 -8.89 13.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.322 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 580' ' ' ARG . . . . . . . . . . . . . 57.6 mmm-85 -140.39 152.4 45.72 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.853 0.359 . . . . 0.0 110.894 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 581' ' ' SER . . . . . 0.434 ' HA ' ' CD1' ' A' ' 584' ' ' LEU . 2.7 p -72.59 -22.6 60.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.32 -179.849 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.12 -35.84 74.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.578 -179.456 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 583' ' ' GLU . . . . . 0.512 ' O ' ' HB3' ' A' ' 587' ' ' HIS . 4.7 tt0 -55.09 -54.96 36.52 Favored 'General case' 0 CA--C 1.511 -0.555 0 CA-C-O 120.806 0.336 . . . . 0.0 111.128 -179.766 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 584' ' ' LEU . . . . . 0.483 HD23 ' HA ' ' A' ' 569' ' ' CYS . 1.1 mp -54.2 -32.93 57.0 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.272 -179.419 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 585' ' ' GLN . . . . . 0.429 ' O ' ' HG3' ' A' ' 588' ' ' LYS . 5.6 mm100 -64.02 -56.64 13.6 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.471 -0.492 . . . . 0.0 109.91 179.176 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 586' ' ' ARG . . . . . 0.439 ' HG2' ' O ' ' A' ' 583' ' ' GLU . 0.6 OUTLIER -73.02 -40.52 65.09 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.88 -0.6 . . . . 0.0 112.392 179.777 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 587' ' ' HIS . . . . . 0.512 ' HB3' ' O ' ' A' ' 583' ' ' GLU . 0.1 OUTLIER -62.73 -49.33 75.47 Favored 'General case' 0 CA--C 1.52 -0.194 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 -179.685 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 588' ' ' LYS . . . . . 0.447 ' HG3' ' N ' ' A' ' 589' ' ' ARG . 0.0 OUTLIER -58.63 -30.36 67.22 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 178.203 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 589' ' ' ARG . . . . . 0.447 ' N ' ' HG3' ' A' ' 588' ' ' LYS . 0.0 OUTLIER -55.44 -33.53 63.67 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 114.779 -1.1 . . . . 0.0 110.593 179.239 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 590' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -113.86 24.27 12.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.855 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 591' ' ' HIS . . . . . 0.506 ' CE1' ' CD1' ' A' ' 571' ' ' TRP . 0.9 OUTLIER -72.8 -29.03 62.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.925 -179.889 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 592' ' ' THR . . . . . 0.547 HG23 ' HB2' ' A' ' 595' ' ' LYS . 2.8 t -147.73 159.63 43.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.859 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 593' ' ' GLY . . . . . . . . . . . . . . . -59.63 -67.91 1.94 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.493 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 594' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -98.16 126.1 43.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.842 0.353 . . . . 0.0 110.873 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 595' ' ' LYS . . . . . 0.547 ' HB2' HG23 ' A' ' 592' ' ' THR . 8.8 tttp . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.233 -0.889 . . . . 0.0 110.901 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 565' ' ' ARG . . . . . 0.43 ' HG2' HG23 ' A' ' 579' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 120.7 0.286 . . . . 0.0 111.261 . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 566' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -82.6 47.61 2.52 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.768 2.312 . . . . 0.0 112.661 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 567' ' ' PHE . . . . . . . . . . . . . 34.0 m-85 -129.37 105.08 7.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.747 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 568' ' ' MET . . . . . . . . . . . . . 2.8 ptt? -143.08 125.04 15.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.138 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 569' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -57.05 128.55 37.52 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.001 179.628 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 25.2 p -90.28 17.45 7.15 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 112.703 0.631 . . . . 0.0 112.703 -178.336 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 571' ' ' TRP . . . . . 0.507 ' CZ2' ' HB2' ' A' ' 588' ' ' LYS . 0.8 OUTLIER -48.31 171.57 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.898 0.38 . . . . 0.0 111.426 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 11.2 m -54.73 -46.97 74.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.515 -179.556 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 573' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -164.38 82.01 0.4 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.93 0.395 . . . . 0.0 111.108 -179.795 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 574' ' ' CYS . . . . . . . . . . . . . 40.8 t -101.69 -50.21 3.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.649 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . 69.14 52.18 24.35 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.672 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 576' ' ' LYS . . . . . . . . . . . . . 4.3 mttt -149.77 122.36 8.57 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-O 120.824 0.345 . . . . 0.0 110.904 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -89.49 163.52 15.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.731 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 578' ' ' PHE . . . . . 0.482 ' HB2' HD11 ' A' ' 584' ' ' LEU . 51.4 m-85 -137.68 163.66 30.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.025 0.44 . . . . 0.0 111.428 -179.478 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 579' ' ' THR . . . . . 0.43 HG23 ' HG2' ' A' ' 565' ' ' ARG . 77.5 m -110.39 -14.34 14.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.064 179.796 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 580' ' ' ARG . . . . . . . . . . . . . 5.5 mtt180 -140.98 137.13 32.81 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.841 0.353 . . . . 0.0 110.658 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 581' ' ' SER . . . . . . . . . . . . . 62.7 p -57.26 -36.95 71.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.026 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -52.57 -35.73 54.54 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.177 -179.742 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 583' ' ' GLU . . . . . 0.484 ' O ' ' HB3' ' A' ' 587' ' ' HIS . 2.8 tp10 -57.94 -55.16 38.56 Favored 'General case' 0 CA--C 1.51 -0.595 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.773 179.546 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 584' ' ' LEU . . . . . 0.482 HD11 ' HB2' ' A' ' 578' ' ' PHE . 7.2 mp -54.27 -34.23 60.37 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.146 -179.708 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 585' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -61.47 -56.78 16.4 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.569 -0.452 . . . . 0.0 110.046 179.297 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 586' ' ' ARG . . . . . 0.498 ' HG3' ' N ' ' A' ' 587' ' ' HIS . 0.6 OUTLIER -73.12 -41.11 64.37 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.902 -0.59 . . . . 0.0 112.362 179.699 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 587' ' ' HIS . . . . . 0.498 ' N ' ' HG3' ' A' ' 586' ' ' ARG . 0.2 OUTLIER -63.59 -51.63 64.5 Favored 'General case' 0 CA--C 1.519 -0.222 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 -179.553 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 588' ' ' LYS . . . . . 0.507 ' HB2' ' CZ2' ' A' ' 571' ' ' TRP . 0.0 OUTLIER -58.1 -30.77 66.53 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 178.272 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 589' ' ' ARG . . . . . 0.401 ' HB2' ' HA ' ' A' ' 586' ' ' ARG . 0.0 OUTLIER -51.68 -30.43 21.92 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 114.876 -1.056 . . . . 0.0 110.751 179.369 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 590' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -113.91 26.38 10.38 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.848 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 591' ' ' HIS . . . . . 0.449 ' HB2' ' HA ' ' A' ' 588' ' ' LYS . 0.3 OUTLIER -86.63 -49.03 7.81 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 -179.946 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 592' ' ' THR . . . . . . . . . . . . . 3.9 t -132.96 171.4 14.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.832 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 593' ' ' GLY . . . . . . . . . . . . . . . -85.76 60.88 4.61 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.479 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 594' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -168.62 131.33 1.38 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.832 0.348 . . . . 0.0 110.864 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 595' ' ' LYS . . . . . . . . . . . . . 1.4 pttt . . . . . 0 C--O 1.248 1.015 0 CA-C-O 118.206 -0.902 . . . . 0.0 110.899 179.982 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 565' ' ' ARG . . . . . 0.49 ' HB2' ' HD3' ' A' ' 566' ' ' PRO . 6.8 mtp180 . . . . . 0 N--CA 1.488 1.462 0 N-CA-C 111.994 0.368 . . . . 0.0 111.994 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 566' ' ' PRO . . . . . 0.49 ' HD3' ' HB2' ' A' ' 565' ' ' ARG . 93.0 Cg_endo -83.53 43.89 1.51 Allowed 'Trans proline' 0 C--N 1.349 0.603 0 C-N-CA 122.283 1.989 . . . . 0.0 113.004 -179.663 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 567' ' ' PHE . . . . . 0.572 ' HB3' HD13 ' A' ' 584' ' ' LEU . 11.8 m-85 -129.58 103.69 7.02 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.393 179.443 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 568' ' ' MET . . . . . 0.42 ' HB3' ' O ' ' A' ' 576' ' ' LYS . 25.3 mtt -147.27 109.15 4.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.741 0.305 . . . . 0.0 111.611 -179.457 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 569' ' ' CYS . . . . . 0.458 ' N ' HD21 ' A' ' 584' ' ' LEU . 17.5 t -68.88 110.23 4.29 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.244 179.331 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 6.6 p -86.16 -30.98 22.04 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.185 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 571' ' ' TRP . . . . . 0.443 ' HB2' ' HB2' ' A' ' 574' ' ' CYS . 0.2 OUTLIER 39.94 -163.79 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.647 -179.941 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 35.8 p -63.15 -30.81 71.89 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.861 0.362 . . . . 0.0 110.678 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 573' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -171.64 35.04 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 574' ' ' CYS . . . . . 0.443 ' HB2' ' HB2' ' A' ' 571' ' ' TRP . 43.2 t -75.0 -50.32 16.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.636 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . 54.09 20.46 14.77 Favored Glycine 0 CA--C 1.519 0.293 0 C-N-CA 121.085 -0.578 . . . . 0.0 113.514 179.342 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 576' ' ' LYS . . . . . 0.42 ' O ' ' HB3' ' A' ' 568' ' ' MET . 12.3 mttt -80.63 -176.65 5.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 117.013 0.407 . . . . 0.0 110.655 179.785 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 73.3 mtt85 -153.42 155.08 35.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.716 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 578' ' ' PHE . . . . . 0.475 ' CD1' ' HG2' ' A' ' 583' ' ' GLU . 5.2 m-85 -148.99 163.8 36.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.99 0.424 . . . . 0.0 111.097 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 579' ' ' THR . . . . . . . . . . . . . 22.4 m -97.44 -8.09 30.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.503 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 580' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -140.58 137.08 33.44 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.872 0.368 . . . . 0.0 110.91 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 581' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.59 -35.45 74.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.816 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -52.48 -37.05 56.28 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.051 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 583' ' ' GLU . . . . . 0.533 ' O ' ' HB3' ' A' ' 587' ' ' HIS . 7.9 tp10 -57.36 -55.74 30.81 Favored 'General case' 0 CA--C 1.508 -0.64 0 CA-C-O 121.128 0.489 . . . . 0.0 110.573 179.35 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 584' ' ' LEU . . . . . 0.572 HD13 ' HB3' ' A' ' 567' ' ' PHE . 6.4 mp -55.3 -36.47 66.22 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.603 -179.442 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 585' ' ' GLN . . . . . 0.414 ' O ' ' HG2' ' A' ' 589' ' ' ARG . 0.5 OUTLIER -60.3 -56.79 17.16 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.549 -0.46 . . . . 0.0 110.136 179.867 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 586' ' ' ARG . . . . . 0.543 ' O ' ' HB2' ' A' ' 589' ' ' ARG . 30.9 mtp180 -72.87 -40.07 65.93 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.72 -0.673 . . . . 0.0 112.192 179.819 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 587' ' ' HIS . . . . . 0.533 ' HB3' ' O ' ' A' ' 583' ' ' GLU . 0.1 OUTLIER -65.57 -37.53 86.93 Favored 'General case' 0 N--CA 1.455 -0.221 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 -179.766 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 588' ' ' LYS . . . . . 0.524 ' HE3' HD23 ' A' ' 584' ' ' LEU . 47.5 mttt -70.09 -30.36 67.56 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 108.52 -0.919 . . . . 0.0 108.52 177.384 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 589' ' ' ARG . . . . . 0.543 ' HB2' ' O ' ' A' ' 586' ' ' ARG . 15.9 mmt180 -60.86 -28.27 68.73 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 115.138 -0.937 . . . . 0.0 111.1 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 590' ' ' THR . . . . . 0.487 HG22 ' O ' ' A' ' 587' ' ' HIS . 10.9 t -99.36 -17.23 18.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.084 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 591' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -55.08 -65.56 0.56 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.019 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 592' ' ' THR . . . . . . . . . . . . . 74.6 p -122.98 -176.4 3.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.944 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 593' ' ' GLY . . . . . . . . . . . . . . . -65.7 -98.86 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.513 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 594' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -63.72 147.88 50.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.852 0.358 . . . . 0.0 110.88 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 595' ' ' LYS . . . . . . . . . . . . . 1.5 tttt . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.251 -0.881 . . . . 0.0 110.884 -179.973 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 565' ' ' ARG . . . . . . . . . . . . . 38.6 ttm180 . . . . . 0 N--CA 1.488 1.431 0 CA-C-O 120.704 0.288 . . . . 0.0 111.212 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 566' ' ' PRO . . . . . 0.405 ' HD2' ' CE2' ' A' ' 567' ' ' PHE . 97.4 Cg_endo -84.34 47.78 2.29 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.777 2.318 . . . . 0.0 112.802 -179.737 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 567' ' ' PHE . . . . . 0.405 ' CE2' ' HD2' ' A' ' 566' ' ' PRO . 11.4 m-85 -129.34 96.21 4.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.825 0.345 . . . . 0.0 110.797 179.854 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 568' ' ' MET . . . . . . . . . . . . . 9.0 mtp -147.13 119.64 8.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.96 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 569' ' ' CYS . . . . . 0.412 ' N ' HD21 ' A' ' 584' ' ' LEU . 0.1 OUTLIER -61.54 123.91 19.18 Favored 'General case' 0 CA--C 1.531 0.245 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 179.625 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 10.9 p -94.46 37.02 1.13 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.817 -178.743 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 571' ' ' TRP . . . . . 0.465 ' CZ2' ' HB2' ' A' ' 588' ' ' LYS . 1.2 m-90 -63.54 168.59 4.55 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.821 0.343 . . . . 0.0 111.008 179.854 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -51.03 -47.02 61.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.542 -179.388 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 573' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -162.47 75.39 0.43 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.919 0.39 . . . . 0.0 110.981 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 574' ' ' CYS . . . . . . . . . . . . . 44.5 t -101.18 -48.18 4.49 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.642 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . 63.28 59.17 9.3 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.619 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 576' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -152.07 121.79 6.97 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-O 120.861 0.362 . . . . 0.0 110.851 179.766 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 3.3 mtt180 -89.55 163.55 15.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.777 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 578' ' ' PHE . . . . . 0.404 ' HB2' HD11 ' A' ' 584' ' ' LEU . 47.0 m-85 -141.34 163.73 32.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.376 -179.536 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 579' ' ' THR . . . . . . . . . . . . . 16.8 m -113.35 -12.4 13.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.087 179.774 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 580' ' ' ARG . . . . . . . . . . . . . 9.6 mmm180 -139.25 137.17 35.69 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.796 0.331 . . . . 0.0 110.723 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 581' ' ' SER . . . . . . . . . . . . . 18.5 p -58.76 -31.66 68.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.022 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.2 -38.93 74.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.228 -179.798 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 583' ' ' GLU . . . . . 0.538 ' O ' ' HB3' ' A' ' 587' ' ' HIS . 6.0 tp10 -55.32 -54.22 46.32 Favored 'General case' 0 CA--C 1.509 -0.622 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.904 179.797 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 584' ' ' LEU . . . . . 0.483 ' O ' ' HG2' ' A' ' 588' ' ' LYS . 6.8 mp -53.76 -33.32 55.42 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.235 -179.359 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 585' ' ' GLN . . . . . 0.432 ' O ' ' HG2' ' A' ' 588' ' ' LYS . 18.0 mm-40 -65.02 -56.47 12.9 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.07 0.462 . . . . 0.0 109.921 179.264 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 586' ' ' ARG . . . . . 0.432 ' O ' ' HB2' ' A' ' 589' ' ' ARG . 0.8 OUTLIER -72.96 -38.16 66.85 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.845 -0.616 . . . . 0.0 112.008 179.8 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 587' ' ' HIS . . . . . 0.538 ' HB3' ' O ' ' A' ' 583' ' ' GLU . 0.2 OUTLIER -65.5 -44.77 86.01 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 109.206 -0.664 . . . . 0.0 109.206 -179.68 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 588' ' ' LYS . . . . . 0.483 ' HG2' ' O ' ' A' ' 584' ' ' LEU . 0.3 OUTLIER -59.99 -32.03 70.47 Favored 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 178.371 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 589' ' ' ARG . . . . . 0.432 ' HB2' ' O ' ' A' ' 586' ' ' ARG . 0.3 OUTLIER -48.76 -27.47 2.97 Favored 'General case' 0 C--N 1.333 -0.112 0 CA-C-N 114.763 -1.108 . . . . 0.0 110.928 179.613 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 590' ' ' THR . . . . . 0.407 HG22 ' O ' ' A' ' 587' ' ' HIS . 9.5 t -114.93 28.93 8.38 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.688 179.743 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 591' ' ' HIS . . . . . 0.447 ' HB2' ' HA ' ' A' ' 588' ' ' LYS . 0.5 OUTLIER -94.91 141.62 28.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.84 -179.93 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 592' ' ' THR . . . . . . . . . . . . . 11.3 p 55.32 61.64 2.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.075 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 593' ' ' GLY . . . . . . . . . . . . . . . 61.22 36.88 93.08 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.571 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 594' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 60.87 73.73 0.47 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.88 0.372 . . . . 0.0 110.917 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 595' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.199 -0.905 . . . . 0.0 110.989 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 565' ' ' ARG . . . . . . . . . . . . . 9.1 ttm180 . . . . . 0 N--CA 1.489 1.506 0 CA-C-O 120.735 0.302 . . . . 0.0 111.295 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 566' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -70.72 93.87 0.61 Allowed 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.62 2.213 . . . . 0.0 112.595 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 567' ' ' PHE . . . . . 0.71 ' CD1' HD22 ' A' ' 584' ' ' LEU . 0.4 OUTLIER -106.3 155.5 19.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.336 179.571 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 568' ' ' MET . . . . . . . . . . . . . 5.1 ttt -147.37 100.55 3.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.786 0.327 . . . . 0.0 111.747 -179.589 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 569' ' ' CYS . . . . . . . . . . . . . 15.3 t -71.27 86.85 0.81 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.321 -0.4 . . . . 0.0 109.934 179.078 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -73.17 -26.12 61.06 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.533 -179.299 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 571' ' ' TRP . . . . . 0.515 ' CZ2' ' HB2' ' A' ' 588' ' ' LYS . 0.2 OUTLIER 40.66 -163.83 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 120.804 0.335 . . . . 0.0 111.603 -179.829 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 70.4 m -70.47 -24.79 62.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.82 0.343 . . . . 0.0 110.556 179.511 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 573' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -171.71 42.81 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.943 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 574' ' ' CYS . . . . . 0.425 ' CB ' ' HB2' ' A' ' 571' ' ' TRP . 51.5 t -91.83 -50.2 5.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.837 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . 56.35 20.47 29.71 Favored Glycine 0 CA--C 1.519 0.289 0 C-N-CA 120.919 -0.658 . . . . 0.0 113.058 179.677 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 576' ' ' LYS . . . . . 0.446 ' HD3' ' CZ ' ' A' ' 578' ' ' PHE . 34.7 ttmt -88.04 144.61 26.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.799 0.333 . . . . 0.0 110.881 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 16.0 mtt180 -114.46 141.15 48.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.064 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 578' ' ' PHE . . . . . 0.451 ' CE2' ' HG2' ' A' ' 583' ' ' GLU . 4.2 m-85 -131.43 163.97 26.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.978 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 579' ' ' THR . . . . . . . . . . . . . 14.5 m -108.44 -6.16 16.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.58 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 580' ' ' ARG . . . . . . . . . . . . . 1.3 mmm-85 -133.62 143.72 48.79 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.874 0.368 . . . . 0.0 111.088 -179.682 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 581' ' ' SER . . . . . 0.621 ' HA ' HD21 ' A' ' 584' ' ' LEU . 24.4 m -64.54 -43.98 92.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.56 179.677 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -52.96 -33.84 52.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.756 -179.799 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 583' ' ' GLU . . . . . 0.629 ' O ' ' HB3' ' A' ' 587' ' ' HIS . 2.2 tt0 -55.26 -56.06 24.35 Favored 'General case' 0 CA--C 1.51 -0.576 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.56 -179.316 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 584' ' ' LEU . . . . . 0.71 HD22 ' CD1' ' A' ' 567' ' ' PHE . 0.5 OUTLIER -62.49 -33.08 74.16 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.345 -179.206 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 585' ' ' GLN . . . . . 0.447 ' O ' ' HG2' ' A' ' 588' ' ' LYS . 0.2 OUTLIER -58.77 -56.7 18.78 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.157 0.503 . . . . 0.0 109.831 179.288 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 586' ' ' ARG . . . . . 0.421 ' O ' ' CB ' ' A' ' 589' ' ' ARG . 38.7 ptt85 -73.33 -44.7 58.42 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.794 -0.639 . . . . 0.0 112.075 179.514 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 587' ' ' HIS . . . . . 0.629 ' HB3' ' O ' ' A' ' 583' ' ' GLU . 0.2 OUTLIER -60.32 -52.04 66.95 Favored 'General case' 0 CA--C 1.522 -0.126 0 N-CA-C 109.627 -0.509 . . . . 0.0 109.627 -179.716 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 588' ' ' LYS . . . . . 0.515 ' HB2' ' CZ2' ' A' ' 571' ' ' TRP . 47.6 pttt -56.37 -32.08 64.41 Favored 'General case' 0 N--CA 1.455 -0.186 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 178.255 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 589' ' ' ARG . . . . . 0.421 ' CB ' ' O ' ' A' ' 586' ' ' ARG . 1.1 tpt180 -52.98 -30.01 32.53 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-N 114.841 -1.072 . . . . 0.0 110.941 179.602 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 590' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -116.34 29.59 7.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.069 -179.699 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 591' ' ' HIS . . . . . 0.478 ' O ' HG22 ' A' ' 592' ' ' THR . 0.3 OUTLIER -89.39 123.51 33.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.896 -179.956 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 592' ' ' THR . . . . . 0.478 HG22 ' O ' ' A' ' 591' ' ' HIS . 15.0 t 45.41 -167.72 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.361 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 593' ' ' GLY . . . . . . . . . . . . . . . -96.08 67.17 1.05 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.447 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 594' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -121.49 160.36 24.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.811 0.339 . . . . 0.0 110.864 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 595' ' ' LYS . . . . . . . . . . . . . 4.8 mtpm? . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.249 -0.882 . . . . 0.0 110.876 -179.991 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 565' ' ' ARG . . . . . 0.486 ' N ' ' HD2' ' A' ' 566' ' ' PRO . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 111.825 0.306 . . . . 0.0 111.825 . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 566' ' ' PRO . . . . . 0.486 ' HD2' ' N ' ' A' ' 565' ' ' ARG . 55.2 Cg_endo -70.78 62.98 2.38 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.193 1.929 . . . . 0.0 112.423 -179.724 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 567' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -129.23 94.09 3.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.717 179.742 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 568' ' ' MET . . . . . . . . . . . . . 2.2 ptt? -125.87 138.37 53.8 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.214 -179.708 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 569' ' ' CYS . . . . . 0.472 ' N ' HD22 ' A' ' 584' ' ' LEU . 0.4 OUTLIER -59.12 138.3 57.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.064 179.604 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 44.0 p -95.64 21.62 8.13 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 112.747 0.647 . . . . 0.0 112.747 -178.271 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 571' ' ' TRP . . . . . 0.447 ' CZ2' ' HB2' ' A' ' 588' ' ' LYS . 0.6 OUTLIER -52.25 -179.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.883 0.373 . . . . 0.0 111.201 179.864 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 82.9 p -59.77 -47.02 87.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.441 -179.637 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 573' ' ' TYR . . . . . . . . . . . . . 21.2 t80 -163.76 79.55 0.42 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.875 0.369 . . . . 0.0 111.09 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 574' ' ' CYS . . . . . . . . . . . . . 43.3 t -101.69 -50.16 3.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.85 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . 63.13 61.16 6.64 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.569 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 576' ' ' LYS . . . . . . . . . . . . . 8.4 mtpt -153.74 109.46 3.24 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-O 120.883 0.373 . . . . 0.0 110.969 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 5.8 mtm-85 -89.53 157.09 18.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.892 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 578' ' ' PHE . . . . . 0.505 ' CD2' ' HB3' ' A' ' 583' ' ' GLU . 7.5 m-85 -135.09 163.89 28.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.137 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 579' ' ' THR . . . . . . . . . . . . . 5.5 m -93.95 -7.86 41.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.727 -179.734 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 580' ' ' ARG . . . . . . . . . . . . . 51.9 mmm-85 -145.07 138.48 26.71 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.849 0.357 . . . . 0.0 111.091 -179.739 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 581' ' ' SER . . . . . . . . . . . . . 1.2 m -58.35 -35.74 72.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.536 179.718 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -52.64 -33.53 47.23 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.78 179.785 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 583' ' ' GLU . . . . . 0.55 ' O ' ' HB3' ' A' ' 587' ' ' HIS . 4.5 tp10 -58.64 -55.71 31.51 Favored 'General case' 0 CA--C 1.509 -0.603 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.58 179.351 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 584' ' ' LEU . . . . . 0.472 HD22 ' N ' ' A' ' 569' ' ' CYS . 24.4 mt -57.15 -36.15 70.39 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.429 -179.436 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 585' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -59.6 -56.36 22.89 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.083 0.468 . . . . 0.0 109.909 179.278 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 586' ' ' ARG . . . . . 0.427 ' HA ' ' HB2' ' A' ' 589' ' ' ARG . 11.3 ptm180 -72.77 -43.22 63.12 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.781 -0.645 . . . . 0.0 112.394 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 587' ' ' HIS . . . . . 0.55 ' HB3' ' O ' ' A' ' 583' ' ' GLU . 0.1 OUTLIER -62.03 -53.13 59.85 Favored 'General case' 0 CA--C 1.52 -0.206 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 -179.541 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 588' ' ' LYS . . . . . 0.481 ' HA ' ' HB2' ' A' ' 591' ' ' HIS . 6.4 pttt -58.12 -29.89 65.86 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 108.944 -0.761 . . . . 0.0 108.944 178.271 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 589' ' ' ARG . . . . . 0.427 ' HB2' ' HA ' ' A' ' 586' ' ' ARG . 0.2 OUTLIER -53.02 -32.11 44.91 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 114.931 -1.032 . . . . 0.0 110.784 179.362 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 590' ' ' THR . . . . . 0.487 HG22 ' HA ' ' A' ' 594' ' ' GLU . 0.0 OUTLIER -109.46 17.03 21.84 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.124 -179.932 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 591' ' ' HIS . . . . . 0.481 ' HB2' ' HA ' ' A' ' 588' ' ' LYS . 0.1 OUTLIER -80.29 -65.06 1.05 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.859 0.361 . . . . 0.0 110.695 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 592' ' ' THR . . . . . . . . . . . . . 2.9 t -78.05 -31.53 50.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.715 179.771 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 593' ' ' GLY . . . . . . . . . . . . . . . -131.65 -158.12 8.98 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.392 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 594' ' ' GLU . . . . . 0.487 ' HA ' HG22 ' A' ' 590' ' ' THR . 0.1 OUTLIER -147.75 108.58 4.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.813 0.34 . . . . 0.0 110.905 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 595' ' ' LYS . . . . . . . . . . . . . 3.7 tptt . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.217 -0.897 . . . . 0.0 110.877 179.91 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 565' ' ' ARG . . . . . 0.5 ' N ' ' HD2' ' A' ' 566' ' ' PRO . 2.6 tpp180 . . . . . 0 N--CA 1.489 1.479 0 N-CA-C 112.006 0.373 . . . . 0.0 112.006 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 566' ' ' PRO . . . . . 0.5 ' HD2' ' N ' ' A' ' 565' ' ' ARG . 45.2 Cg_endo -68.77 63.78 1.27 Allowed 'Trans proline' 0 C--N 1.348 0.542 0 C-N-CA 122.054 1.836 . . . . 0.0 112.481 -179.659 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 567' ' ' PHE . . . . . 0.402 ' CE1' ' OG ' ' A' ' 581' ' ' SER . 98.9 m-85 -129.25 118.95 23.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.661 179.706 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 568' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -135.22 124.46 24.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.059 -179.814 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 569' ' ' CYS . . . . . 0.775 ' HA ' HD23 ' A' ' 584' ' ' LEU . 13.4 p -50.91 157.43 0.82 Allowed 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.473 179.668 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 61.5 p -90.39 20.86 4.2 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.174 0.435 . . . . 0.0 112.174 -179.108 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 571' ' ' TRP . . . . . 0.51 ' CD2' ' CD2' ' A' ' 591' ' ' HIS . 7.9 m-90 -102.07 100.27 10.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.859 0.361 . . . . 0.0 110.568 179.457 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 55.5 p -55.07 -30.87 60.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.59 -179.453 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 573' ' ' TYR . . . . . . . . . . . . . 38.7 p90 -92.92 18.43 9.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.435 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 574' ' ' CYS . . . . . 0.437 ' HB2' ' CE1' ' A' ' 591' ' ' HIS . 53.8 t -101.77 -50.31 3.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.773 0.32 . . . . 0.0 110.917 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . 56.37 66.02 3.15 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.531 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 576' ' ' LYS . . . . . . . . . . . . . 9.9 ttmm -160.88 117.72 2.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.869 0.366 . . . . 0.0 111.028 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 8.2 mtt180 -89.74 163.5 15.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.84 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 578' ' ' PHE . . . . . 0.471 ' CD2' ' HB3' ' A' ' 583' ' ' GLU . 6.7 m-85 -137.51 164.2 29.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.966 0.412 . . . . 0.0 111.233 -179.849 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 579' ' ' THR . . . . . . . . . . . . . 30.2 m -98.95 -7.83 26.42 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.673 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 580' ' ' ARG . . . . . . . . . . . . . 24.3 mmt85 -146.22 154.53 41.84 Favored 'General case' 0 C--N 1.334 -0.108 0 CA-C-O 120.953 0.406 . . . . 0.0 111.251 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 581' ' ' SER . . . . . 0.506 ' HA ' HD13 ' A' ' 584' ' ' LEU . 49.5 m -70.37 -35.83 73.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.919 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -52.49 -38.13 58.82 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.912 -179.742 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 583' ' ' GLU . . . . . 0.561 ' O ' ' HB3' ' A' ' 587' ' ' HIS . 2.9 tt0 -55.35 -55.48 31.01 Favored 'General case' 0 CA--C 1.511 -0.522 0 CA-C-O 121.102 0.477 . . . . 0.0 110.639 179.369 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 584' ' ' LEU . . . . . 0.775 HD23 ' HA ' ' A' ' 569' ' ' CYS . 5.6 mp -54.39 -36.14 63.6 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.639 -179.312 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 585' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -63.7 -56.89 12.24 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.641 -0.423 . . . . 0.0 110.23 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 586' ' ' ARG . . . . . 0.554 ' O ' ' HB2' ' A' ' 589' ' ' ARG . 3.4 mtt180 -73.41 -35.76 65.89 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 112.948 0.721 . . . . 0.0 112.948 -179.874 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 587' ' ' HIS . . . . . 0.561 ' HB3' ' O ' ' A' ' 583' ' ' GLU . 0.1 OUTLIER -68.6 -37.29 79.68 Favored 'General case' 0 CA--C 1.52 -0.196 0 C-N-CA 120.202 -0.599 . . . . 0.0 109.839 -178.953 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 588' ' ' LYS . . . . . 0.454 ' HG3' ' N ' ' A' ' 589' ' ' ARG . 0.4 OUTLIER -62.39 -28.76 70.0 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.327 0.584 . . . . 0.0 109.5 178.65 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 589' ' ' ARG . . . . . 0.554 ' HB2' ' O ' ' A' ' 586' ' ' ARG . 4.6 mmt180 -45.99 -28.92 1.27 Allowed 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 115.116 -0.947 . . . . 0.0 111.131 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 590' ' ' THR . . . . . . . . . . . . . 10.1 t -121.85 42.32 3.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.99 -179.783 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 591' ' ' HIS . . . . . 0.51 ' CD2' ' CD2' ' A' ' 571' ' ' TRP . 0.1 OUTLIER -105.98 -30.14 9.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.895 179.948 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 592' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -114.35 92.28 3.91 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.857 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 593' ' ' GLY . . . . . . . . . . . . . . . 81.68 177.57 51.86 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.548 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 594' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -90.67 106.36 18.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.846 0.355 . . . . 0.0 110.914 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 595' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.239 -0.886 . . . . 0.0 110.882 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 565' ' ' ARG . . . . . 0.434 ' HB2' ' HD3' ' A' ' 566' ' ' PRO . 42.3 mtt85 . . . . . 0 N--CA 1.49 1.568 0 CA-C-O 120.594 0.235 . . . . 0.0 111.542 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 566' ' ' PRO . . . . . 0.434 ' HD3' ' HB2' ' A' ' 565' ' ' ARG . 56.1 Cg_endo -70.05 59.99 1.81 Allowed 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.497 2.131 . . . . 0.0 112.742 -179.825 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 567' ' ' PHE . . . . . . . . . . . . . 83.0 m-85 -129.28 90.8 3.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.539 179.589 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 568' ' ' MET . . . . . . . . . . . . . 2.7 ptt? -131.33 135.89 47.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.926 0.393 . . . . 0.0 111.32 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 569' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -60.53 138.01 58.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.064 179.646 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 31.2 p -98.87 25.97 6.15 Favored 'General case' 0 N--CA 1.464 0.236 0 N-CA-C 112.388 0.514 . . . . 0.0 112.388 -178.575 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 571' ' ' TRP . . . . . 0.464 ' CZ2' ' HB2' ' A' ' 588' ' ' LYS . 0.6 OUTLIER -54.05 -176.3 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.902 0.382 . . . . 0.0 111.19 179.907 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 39.2 t -65.96 -46.89 76.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.31 -179.694 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 573' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -158.7 76.03 0.73 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.961 0.41 . . . . 0.0 111.158 -179.767 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 574' ' ' CYS . . . . . . . . . . . . . 41.5 t -101.71 -50.17 3.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.748 179.744 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . 59.6 60.45 8.73 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.479 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 576' ' ' LYS . . . . . . . . . . . . . 3.9 mttt -154.91 106.85 2.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.872 0.368 . . . . 0.0 111.022 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 14.7 mtt85 -89.5 159.34 17.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.708 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 578' ' ' PHE . . . . . 0.498 ' CD2' ' HB3' ' A' ' 583' ' ' GLU . 9.2 m-85 -134.09 163.71 28.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.928 0.394 . . . . 0.0 110.917 -179.879 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 579' ' ' THR . . . . . 0.423 ' HB ' ' HD2' ' A' ' 580' ' ' ARG . 12.2 m -95.17 -7.84 38.05 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.306 179.837 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 580' ' ' ARG . . . . . 0.446 ' HD2' ' N ' ' A' ' 580' ' ' ARG . 1.9 mpt_? -136.62 137.15 39.82 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-O 120.832 0.349 . . . . 0.0 110.905 -179.876 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 581' ' ' SER . . . . . 0.506 ' HA ' HD23 ' A' ' 584' ' ' LEU . 0.3 OUTLIER -59.07 -40.01 83.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.01 0.433 . . . . 0.0 110.269 179.541 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -52.85 -34.12 52.87 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.381 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 583' ' ' GLU . . . . . 0.613 ' O ' ' HB3' ' A' ' 587' ' ' HIS . 8.4 tp10 -55.32 -56.28 21.87 Favored 'General case' 0 CA--C 1.508 -0.659 0 CA-C-O 120.887 0.375 . . . . 0.0 111.062 -179.842 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 584' ' ' LEU . . . . . 0.506 HD23 ' HA ' ' A' ' 581' ' ' SER . 0.6 OUTLIER -59.6 -33.22 71.2 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.749 -0.659 . . . . 0.0 111.11 -179.333 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 585' ' ' GLN . . . . . 0.491 ' O ' ' HG3' ' A' ' 588' ' ' LYS . 0.2 OUTLIER -61.19 -56.53 19.7 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.013 0.435 . . . . 0.0 109.999 179.209 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 586' ' ' ARG . . . . . 0.447 ' HG3' ' N ' ' A' ' 587' ' ' HIS . 12.3 ptt180 -72.99 -41.66 64.09 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.019 -0.537 . . . . 0.0 112.099 179.64 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 587' ' ' HIS . . . . . 0.613 ' HB3' ' O ' ' A' ' 583' ' ' GLU . 0.1 OUTLIER -62.45 -45.84 91.24 Favored 'General case' 0 CA--C 1.521 -0.166 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 -179.643 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 588' ' ' LYS . . . . . 0.491 ' HG3' ' O ' ' A' ' 585' ' ' GLN . 0.0 OUTLIER -61.3 -31.86 71.7 Favored 'General case' 0 N--CA 1.454 -0.274 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 178.312 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 589' ' ' ARG . . . . . 0.482 ' N ' ' HG3' ' A' ' 588' ' ' LYS . 0.3 OUTLIER -51.18 -28.77 11.99 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 114.751 -1.113 . . . . 0.0 111.077 179.8 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 590' ' ' THR . . . . . . . . . . . . . 10.0 t -124.47 32.3 5.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.781 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 591' ' ' HIS . . . . . 0.419 ' HB2' ' HA ' ' A' ' 588' ' ' LYS . 1.2 t-80 -78.47 -50.18 12.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.924 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 592' ' ' THR . . . . . . . . . . . . . 6.0 t -116.87 147.22 42.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 593' ' ' GLY . . . . . . . . . . . . . . . -71.72 161.21 54.22 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.511 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 594' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 60.45 85.11 0.11 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.863 0.363 . . . . 0.0 110.81 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 595' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.242 -0.885 . . . . 0.0 110.938 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 565' ' ' ARG . . . . . 0.427 ' N ' ' CD ' ' A' ' 566' ' ' PRO . 0.4 OUTLIER . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 111.794 0.294 . . . . 0.0 111.794 . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 566' ' ' PRO . . . . . 0.427 ' CD ' ' N ' ' A' ' 565' ' ' ARG . 18.2 Cg_exo -66.9 58.27 0.55 Allowed 'Trans proline' 0 C--N 1.348 0.518 0 C-N-CA 122.778 2.318 . . . . 0.0 112.991 -179.553 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 567' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -129.61 123.89 32.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.616 179.409 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 568' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -147.41 127.17 13.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.797 0.332 . . . . 0.0 111.141 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 569' ' ' CYS . . . . . 0.465 ' HA ' HD23 ' A' ' 584' ' ' LEU . 0.5 OUTLIER -61.31 142.69 56.69 Favored 'General case' 0 CA--C 1.532 0.252 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 179.567 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -96.83 10.15 39.75 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.794 0.664 . . . . 0.0 112.794 -178.304 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 571' ' ' TRP . . . . . 0.466 ' CZ2' ' HB2' ' A' ' 588' ' ' LYS . 0.9 OUTLIER -47.44 168.91 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.894 0.378 . . . . 0.0 111.571 -179.809 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 59.7 p -56.85 -47.04 81.3 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.808 -179.128 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 573' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -161.51 82.72 0.61 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.861 0.362 . . . . 0.0 111.36 -179.645 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 574' ' ' CYS . . . . . . . . . . . . . 40.9 t -101.71 -50.21 3.77 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.654 179.715 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . 68.7 51.82 28.34 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.571 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 576' ' ' LYS . . . . . . . . . . . . . 7.8 tttt -149.56 124.48 9.94 Favored 'General case' 0 N--CA 1.453 -0.275 0 CA-C-O 120.838 0.351 . . . . 0.0 110.951 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 11.9 mtt-85 -89.55 163.61 15.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.768 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 578' ' ' PHE . . . . . 0.406 ' HB2' HD11 ' A' ' 584' ' ' LEU . 41.7 m-85 -138.08 163.7 30.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.39 -179.394 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 579' ' ' THR . . . . . . . . . . . . . 19.0 m -109.75 -17.67 13.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.048 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 580' ' ' ARG . . . . . . . . . . . . . 3.7 mmm180 -139.38 143.06 37.55 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.798 0.332 . . . . 0.0 110.74 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 581' ' ' SER . . . . . . . . . . . . . 78.2 p -60.18 -36.97 78.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.828 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -52.54 -35.05 52.75 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.081 -179.757 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 583' ' ' GLU . . . . . 0.496 ' O ' ' HB3' ' A' ' 587' ' ' HIS . 4.9 tp10 -58.3 -55.03 40.2 Favored 'General case' 0 CA--C 1.51 -0.586 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.665 179.397 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 584' ' ' LEU . . . . . 0.465 HD23 ' HA ' ' A' ' 569' ' ' CYS . 7.3 mp -54.15 -36.82 63.75 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.04 -179.617 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 585' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -60.06 -56.39 22.17 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.123 0.487 . . . . 0.0 109.886 179.204 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 586' ' ' ARG . . . . . 0.417 ' HA ' ' HB2' ' A' ' 589' ' ' ARG . 4.0 ptm180 -72.8 -42.65 63.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.671 -0.695 . . . . 0.0 112.388 179.85 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 587' ' ' HIS . . . . . 0.496 ' HB3' ' O ' ' A' ' 583' ' ' GLU . 0.2 OUTLIER -62.64 -53.63 51.65 Favored 'General case' 0 CA--C 1.518 -0.256 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 -179.625 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 588' ' ' LYS . . . . . 0.476 ' HA ' ' HB2' ' A' ' 591' ' ' HIS . 0.4 OUTLIER -57.95 -31.13 66.56 Favored 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 178.449 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 589' ' ' ARG . . . . . 0.417 ' HB2' ' HA ' ' A' ' 586' ' ' ARG . 0.0 OUTLIER -48.88 -30.34 5.73 Favored 'General case' 0 C--O 1.231 0.109 0 CA-C-N 114.954 -1.021 . . . . 0.0 110.944 179.373 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 590' ' ' THR . . . . . . . . . . . . . 4.2 t -121.63 28.09 7.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.856 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 591' ' ' HIS . . . . . 0.476 ' HB2' ' HA ' ' A' ' 588' ' ' LYS . 1.5 t-80 -72.96 -25.35 60.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.94 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 592' ' ' THR . . . . . . . . . . . . . 2.1 t 43.35 91.49 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.52 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 593' ' ' GLY . . . . . . . . . . . . . . . -165.4 -57.41 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.532 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 594' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -118.59 -40.94 2.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.819 0.342 . . . . 0.0 110.949 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 595' ' ' LYS . . . . . . . . . . . . . 1.1 ttpt . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.196 -0.906 . . . . 0.0 110.879 -179.978 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 565' ' ' ARG . . . . . 0.425 ' N ' ' HD2' ' A' ' 566' ' ' PRO . 1.7 mtt-85 . . . . . 0 N--CA 1.49 1.561 0 CA-C-O 120.594 0.235 . . . . 0.0 111.53 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 566' ' ' PRO . . . . . 0.425 ' HD2' ' N ' ' A' ' 565' ' ' ARG . 51.8 Cg_endo -69.22 60.98 1.42 Allowed 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.517 2.145 . . . . 0.0 112.638 -179.81 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 567' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -129.28 119.57 24.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.71 179.618 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 568' ' ' MET . . . . . . . . . . . . . 7.2 ptt? -147.34 129.94 15.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.911 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 569' ' ' CYS . . . . . 0.402 ' SG ' ' HB3' ' A' ' 574' ' ' CYS . 0.5 OUTLIER -59.78 140.5 56.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.071 179.68 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 44.9 p -89.95 3.69 52.34 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 112.794 0.664 . . . . 0.0 112.794 -178.368 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 571' ' ' TRP . . . . . 0.453 ' CH2' ' HB2' ' A' ' 588' ' ' LYS . 0.8 OUTLIER -46.24 167.3 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 120.937 0.399 . . . . 0.0 111.58 -179.713 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 3.4 m -57.01 -47.18 81.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.886 -179.16 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 573' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -163.34 87.34 0.54 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.833 0.349 . . . . 0.0 111.337 -179.647 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 574' ' ' CYS . . . . . 0.402 ' HB3' ' SG ' ' A' ' 569' ' ' CYS . 43.3 t -101.67 -50.22 3.77 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.573 179.65 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . 74.81 43.89 26.75 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.913 -0.66 . . . . 0.0 112.681 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 576' ' ' LYS . . . . . . . . . . . . . 58.1 mttt -144.83 122.93 12.12 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-O 120.823 0.344 . . . . 0.0 110.977 179.792 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 5.6 mtt180 -89.48 163.56 15.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.632 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 578' ' ' PHE . . . . . 0.421 ' CD2' ' HB3' ' A' ' 583' ' ' GLU . 60.4 m-85 -136.74 163.91 29.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.116 0.484 . . . . 0.0 111.449 -179.346 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 579' ' ' THR . . . . . . . . . . . . . 1.7 m -109.92 -17.92 13.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.831 179.636 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 580' ' ' ARG . . . . . 0.426 ' HD3' ' N ' ' A' ' 580' ' ' ARG . 1.3 mpp_? -130.19 137.16 49.94 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-O 120.88 0.371 . . . . 0.0 111.138 -179.845 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 581' ' ' SER . . . . . 0.439 ' O ' ' HG ' ' A' ' 584' ' ' LEU . 0.3 OUTLIER -60.64 -21.94 63.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.066 179.737 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 582' ' ' ASP . . . . . 0.426 ' HA ' ' HG2' ' A' ' 585' ' ' GLN . 1.1 m-20 -73.21 -34.49 65.96 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.772 -179.307 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 583' ' ' GLU . . . . . 0.452 ' O ' ' HB3' ' A' ' 587' ' ' HIS . 4.0 tp10 -55.07 -55.33 32.28 Favored 'General case' 0 CA--C 1.509 -0.604 0 CA-C-O 120.837 0.351 . . . . 0.0 111.232 -179.542 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 584' ' ' LEU . . . . . 0.614 HD12 ' OE1' ' A' ' 585' ' ' GLN . 0.0 OUTLIER -53.97 -32.62 54.53 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.964 -179.457 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 585' ' ' GLN . . . . . 0.614 ' OE1' HD12 ' A' ' 584' ' ' LEU . 5.3 mm100 -63.89 -56.25 16.68 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.122 0.487 . . . . 0.0 109.952 179.042 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 586' ' ' ARG . . . . . 0.431 ' HA ' ' HB2' ' A' ' 589' ' ' ARG . 2.6 ptm180 -72.63 -39.54 67.15 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.718 -0.673 . . . . 0.0 112.431 -179.842 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 587' ' ' HIS . . . . . 0.452 ' HB3' ' O ' ' A' ' 583' ' ' GLU . 0.1 OUTLIER -65.3 -52.34 54.76 Favored 'General case' 0 CA--C 1.519 -0.218 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 -179.854 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 588' ' ' LYS . . . . . 0.493 ' HA ' ' HB2' ' A' ' 591' ' ' HIS . 14.2 pttt -59.8 -30.87 69.2 Favored 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 178.404 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 589' ' ' ARG . . . . . 0.431 ' HB2' ' HA ' ' A' ' 586' ' ' ARG . 0.0 OUTLIER -47.08 -32.68 4.3 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 114.996 -1.002 . . . . 0.0 110.784 179.396 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 590' ' ' THR . . . . . . . . . . . . . 4.0 t -123.91 27.98 7.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.649 179.754 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 591' ' ' HIS . . . . . 0.493 ' HB2' ' HA ' ' A' ' 588' ' ' LYS . 1.7 t-80 -63.67 -51.84 63.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.916 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 592' ' ' THR . . . . . . . . . . . . . 1.7 t -149.65 91.2 1.78 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.849 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 593' ' ' GLY . . . . . . . . . . . . . . . 91.19 -105.61 3.29 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.505 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 594' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -155.88 98.01 1.87 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.859 0.361 . . . . 0.0 110.847 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 595' ' ' LYS . . . . . . . . . . . . . 11.5 mttt . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.237 -0.887 . . . . 0.0 110.9 179.979 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 565' ' ' ARG . . . . . 0.887 ' HD3' HG23 ' A' ' 579' ' ' THR . 2.8 mpt_? . . . . . 0 N--CA 1.486 1.35 0 CA-C-O 120.682 0.277 . . . . 0.0 111.203 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 566' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_endo -83.42 47.93 2.5 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.79 2.327 . . . . 0.0 112.631 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 567' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 -129.33 104.13 7.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.796 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 568' ' ' MET . . . . . 0.422 ' CE ' HG23 ' A' ' 570' ' ' THR . 0.0 OUTLIER -147.28 121.16 9.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.082 -179.884 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 569' ' ' CYS . . . . . 0.409 ' N ' ' CD2' ' A' ' 584' ' ' LEU . 0.1 OUTLIER -60.17 125.35 23.35 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 179.552 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 570' ' ' THR . . . . . 0.422 HG23 ' CE ' ' A' ' 568' ' ' MET . 2.6 p -92.9 37.85 1.02 Allowed 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 111.972 0.36 . . . . 0.0 111.972 -178.717 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 571' ' ' TRP . . . . . 0.468 ' CZ2' ' HB2' ' A' ' 588' ' ' LYS . 1.2 m-90 -65.31 169.22 6.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.879 0.371 . . . . 0.0 111.129 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -52.08 -46.95 65.4 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.654 -179.439 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 573' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -161.14 73.0 0.45 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.902 0.382 . . . . 0.0 111.133 -179.804 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 574' ' ' CYS . . . . . . . . . . . . . 41.6 t -101.5 -46.47 4.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.533 179.648 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . 58.47 64.27 4.47 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.614 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 576' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -155.5 123.81 5.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.867 0.365 . . . . 0.0 110.938 179.81 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -89.52 163.53 15.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.654 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 578' ' ' PHE . . . . . . . . . . . . . 41.8 m-85 -138.16 163.68 31.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.031 0.444 . . . . 0.0 111.435 -179.452 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 579' ' ' THR . . . . . 0.887 HG23 ' HD3' ' A' ' 565' ' ' ARG . 30.0 m -108.02 -15.89 14.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.108 179.819 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 580' ' ' ARG . . . . . . . . . . . . . 7.9 mmt85 -140.5 140.26 35.26 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.872 0.367 . . . . 0.0 110.699 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 581' ' ' SER . . . . . 0.609 ' HA ' HD12 ' A' ' 584' ' ' LEU . 0.9 OUTLIER -58.25 -39.9 80.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.063 -179.845 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -52.66 -34.09 50.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.207 -179.722 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 583' ' ' GLU . . . . . 0.523 ' O ' ' HB3' ' A' ' 587' ' ' HIS . 4.3 tp10 -56.68 -55.11 38.19 Favored 'General case' 0 CA--C 1.507 -0.688 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.914 179.602 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 584' ' ' LEU . . . . . 0.609 HD12 ' HA ' ' A' ' 581' ' ' SER . 0.8 OUTLIER -53.91 -33.01 55.37 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.112 -179.311 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 585' ' ' GLN . . . . . 0.47 ' NE2' ' O ' ' A' ' 581' ' ' SER . 0.1 OUTLIER -66.03 -56.14 13.1 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.047 0.451 . . . . 0.0 109.806 179.354 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 586' ' ' ARG . . . . . 0.416 ' O ' ' HB2' ' A' ' 589' ' ' ARG . 1.0 OUTLIER -72.61 -37.91 67.96 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.887 -0.597 . . . . 0.0 112.175 179.842 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 587' ' ' HIS . . . . . 0.523 ' HB3' ' O ' ' A' ' 583' ' ' GLU . 0.1 OUTLIER -65.51 -43.36 90.32 Favored 'General case' 0 CA--C 1.518 -0.283 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 -179.951 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 588' ' ' LYS . . . . . 0.525 ' HG3' ' N ' ' A' ' 589' ' ' ARG . 0.2 OUTLIER -60.01 -32.35 70.79 Favored 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 178.437 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 589' ' ' ARG . . . . . 0.525 ' N ' ' HG3' ' A' ' 588' ' ' LYS . 0.0 OUTLIER -50.66 -27.85 7.76 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-N 114.719 -1.128 . . . . 0.0 110.804 179.522 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 590' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -116.54 26.73 9.66 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.779 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 591' ' ' HIS . . . . . 0.434 ' HB2' ' HA ' ' A' ' 588' ' ' LYS . 1.8 t-80 -83.51 -32.1 26.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.971 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 592' ' ' THR . . . . . . . . . . . . . 2.1 t -159.35 -45.6 0.05 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.974 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 593' ' ' GLY . . . . . . . . . . . . . . . 155.21 45.6 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.466 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 594' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -110.27 81.23 1.4 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.859 0.361 . . . . 0.0 110.877 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 595' ' ' LYS . . . . . . . . . . . . . 25.1 ttpp . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.253 -0.879 . . . . 0.0 110.925 -179.995 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 565' ' ' ARG . . . . . 0.601 ' HG2' HG23 ' A' ' 579' ' ' THR . 9.6 mtp180 . . . . . 0 N--CA 1.487 1.4 0 CA-C-O 120.677 0.275 . . . . 0.0 111.148 . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 566' ' ' PRO . . . . . 0.42 ' HD2' ' CE2' ' A' ' 567' ' ' PHE . 83.2 Cg_endo -81.71 49.33 3.14 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.694 2.263 . . . . 0.0 112.798 -179.765 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 567' ' ' PHE . . . . . 0.42 ' CE2' ' HD2' ' A' ' 566' ' ' PRO . 14.3 m-85 -129.32 90.84 3.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.867 0.365 . . . . 0.0 110.769 179.716 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 568' ' ' MET . . . . . 0.53 ' C ' HD21 ' A' ' 584' ' ' LEU . 0.7 OUTLIER -136.24 135.85 39.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.771 179.931 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 569' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -55.89 143.69 30.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.372 179.912 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 39.6 p -89.55 13.62 13.5 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 112.765 0.654 . . . . 0.0 112.765 -178.429 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 571' ' ' TRP . . . . . 0.468 ' CZ2' ' HB3' ' A' ' 591' ' ' HIS . 0.8 OUTLIER -56.32 168.32 0.55 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.795 0.331 . . . . 0.0 110.998 -179.995 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 57.7 m -57.65 -47.06 83.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.445 -179.526 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 573' ' ' TYR . . . . . 0.405 ' CD2' ' O ' ' A' ' 573' ' ' TYR . 15.8 p90 -163.9 86.32 0.49 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.924 0.393 . . . . 0.0 110.957 -179.905 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 574' ' ' CYS . . . . . . . . . . . . . 9.2 t -101.6 -50.06 3.83 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.96 -179.961 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . 81.08 4.01 90.58 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.821 -179.897 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 576' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.59 99.37 12.3 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-O 120.811 0.339 . . . . 0.0 110.959 -179.886 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 26.9 mtt85 -89.52 144.24 26.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.553 179.73 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 578' ' ' PHE . . . . . 0.489 ' CD2' ' HB3' ' A' ' 583' ' ' GLU . 20.1 m-85 -134.27 164.11 28.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.452 -179.475 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 579' ' ' THR . . . . . 0.601 HG23 ' HG2' ' A' ' 565' ' ' ARG . 59.5 m -105.88 -7.37 18.27 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.486 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 580' ' ' ARG . . . . . 0.407 ' HD2' ' N ' ' A' ' 580' ' ' ARG . 1.7 mpt_? -130.62 137.12 49.47 Favored 'General case' 0 N--CA 1.456 -0.158 0 CA-C-O 120.81 0.338 . . . . 0.0 111.009 -179.766 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 581' ' ' SER . . . . . 0.401 ' O ' ' HG2' ' A' ' 585' ' ' GLN . 9.8 t -60.03 -33.54 72.16 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.499 179.671 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.54 -40.7 65.72 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.049 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 583' ' ' GLU . . . . . 0.566 ' O ' ' HB3' ' A' ' 587' ' ' HIS . 2.6 tp10 -55.23 -55.42 31.47 Favored 'General case' 0 CA--C 1.509 -0.605 0 CA-C-O 121.054 0.454 . . . . 0.0 110.6 179.612 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 584' ' ' LEU . . . . . 0.537 ' H ' HD12 ' A' ' 584' ' ' LEU . 6.5 mp -55.23 -33.26 62.96 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.745 -179.232 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 585' ' ' GLN . . . . . 0.439 ' O ' ' HG2' ' A' ' 589' ' ' ARG . 21.9 mm-40 -66.63 -56.78 9.1 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.326 -0.55 . . . . 0.0 109.932 179.62 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 586' ' ' ARG . . . . . 0.549 ' O ' ' HB2' ' A' ' 589' ' ' ARG . 2.3 ptm180 -72.78 -36.99 67.75 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.898 0.703 . . . . 0.0 112.898 -179.722 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 587' ' ' HIS . . . . . 0.566 ' HB3' ' O ' ' A' ' 583' ' ' GLU . 0.1 OUTLIER -68.35 -34.81 76.76 Favored 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 -179.616 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 588' ' ' LYS . . . . . 0.457 ' HB2' ' O ' ' A' ' 584' ' ' LEU . 87.7 mttt -72.77 -28.73 62.78 Favored 'General case' 0 N--CA 1.45 -0.433 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 178.27 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 589' ' ' ARG . . . . . 0.549 ' HB2' ' O ' ' A' ' 586' ' ' ARG . 12.2 mmm-85 -54.09 -24.65 18.26 Favored 'General case' 0 C--O 1.231 0.119 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.85 179.62 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 590' ' ' THR . . . . . . . . . . . . . 7.9 t -113.74 17.66 17.96 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.137 179.941 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 591' ' ' HIS . . . . . 0.468 ' HB3' ' CZ2' ' A' ' 571' ' ' TRP . 0.1 OUTLIER -85.48 -68.22 0.75 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.895 0.379 . . . . 0.0 110.773 179.983 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 592' ' ' THR . . . . . . . . . . . . . 5.3 t -129.01 156.53 43.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.869 -180.0 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 593' ' ' GLY . . . . . . . . . . . . . . . 60.75 156.39 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.52 -179.991 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 594' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -92.96 122.66 35.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.856 0.36 . . . . 0.0 110.95 179.999 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 595' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.26 -0.876 . . . . 0.0 110.871 -179.941 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 565' ' ' ARG . . . . . 0.438 ' HB3' ' CD2' ' A' ' 567' ' ' PHE . 4.4 mmt85 . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.67 0.271 . . . . 0.0 111.113 . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 566' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_endo -80.75 52.4 4.33 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.696 2.264 . . . . 0.0 112.594 -179.918 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 567' ' ' PHE . . . . . 0.494 ' HB3' HD11 ' A' ' 584' ' ' LEU . 63.3 m-85 -129.32 93.49 3.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.77 179.885 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 568' ' ' MET . . . . . . . . . . . . . 16.8 ptt? -135.13 127.51 30.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.876 -179.945 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 569' ' ' CYS . . . . . 0.426 ' N ' ' CD2' ' A' ' 584' ' ' LEU . 0.5 OUTLIER -62.35 130.65 46.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.264 -0.425 . . . . 0.0 109.864 179.732 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 1.2 p -88.72 16.04 7.34 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 112.67 0.619 . . . . 0.0 112.67 -178.383 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 571' ' ' TRP . . . . . 0.508 ' CZ2' ' HB2' ' A' ' 588' ' ' LYS . 0.8 OUTLIER -50.23 171.64 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.886 0.374 . . . . 0.0 111.307 179.995 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 60.2 p -56.72 -47.02 80.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.435 -179.555 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 573' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -165.34 84.19 0.36 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.833 0.349 . . . . 0.0 111.13 -179.817 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 574' ' ' CYS . . . . . . . . . . . . . 51.7 t -101.6 -50.17 3.8 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.723 179.803 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . 71.45 47.41 35.35 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.557 179.953 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 576' ' ' LYS . . . . . . . . . . . . . 43.1 mttm -145.44 121.42 10.69 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-O 120.851 0.357 . . . . 0.0 111.024 179.899 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.43 163.58 15.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.626 179.815 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 578' ' ' PHE . . . . . . . . . . . . . 38.4 m-85 -136.83 163.69 30.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.003 0.43 . . . . 0.0 111.602 -179.27 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 579' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -106.19 -15.58 14.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.063 179.754 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 580' ' ' ARG . . . . . . . . . . . . . 4.7 mtm180 -142.24 149.02 39.06 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.878 0.371 . . . . 0.0 110.764 179.953 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 581' ' ' SER . . . . . 0.427 ' HA ' HD12 ' A' ' 584' ' ' LEU . 0.3 OUTLIER -64.21 -37.2 86.63 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.08 -179.839 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -52.47 -37.98 58.31 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.431 -179.551 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 583' ' ' GLU . . . . . 0.534 ' O ' ' HB3' ' A' ' 587' ' ' HIS . 5.1 tt0 -55.65 -55.04 36.77 Favored 'General case' 0 CA--C 1.508 -0.668 0 CA-C-O 120.858 0.361 . . . . 0.0 110.993 179.641 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 584' ' ' LEU . . . . . 0.507 ' O ' ' HG2' ' A' ' 588' ' ' LYS . 1.7 mp -53.89 -33.06 55.39 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.136 -179.294 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 585' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -65.13 -56.73 11.27 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.015 0.436 . . . . 0.0 109.979 179.277 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 586' ' ' ARG . . . . . 0.42 ' O ' ' HB2' ' A' ' 589' ' ' ARG . 0.3 OUTLIER -72.87 -37.56 67.3 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.896 -0.593 . . . . 0.0 112.325 179.914 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 587' ' ' HIS . . . . . 0.534 ' HB3' ' O ' ' A' ' 583' ' ' GLU . 0.2 OUTLIER -65.85 -41.94 91.07 Favored 'General case' 0 CA--C 1.518 -0.261 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 -179.972 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 588' ' ' LYS . . . . . 0.521 ' HG3' ' N ' ' A' ' 589' ' ' ARG . 0.1 OUTLIER -61.84 -32.65 72.99 Favored 'General case' 0 N--CA 1.45 -0.444 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 178.303 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 589' ' ' ARG . . . . . 0.521 ' N ' ' HG3' ' A' ' 588' ' ' LYS . 0.1 OUTLIER -50.87 -26.99 6.51 Favored 'General case' 0 C--O 1.231 0.121 0 CA-C-N 114.736 -1.12 . . . . 0.0 111.028 179.634 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 590' ' ' THR . . . . . . . . . . . . . 9.2 t -120.37 30.33 7.01 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.758 179.928 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 591' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -86.42 -33.45 20.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.861 -179.944 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 592' ' ' THR . . . . . . . . . . . . . 3.5 t -146.47 176.33 9.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.882 -179.99 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 593' ' ' GLY . . . . . . . . . . . . . . . -104.76 39.26 2.9 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.506 179.947 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 594' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -84.71 -45.96 11.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.851 0.357 . . . . 0.0 110.883 -179.964 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 595' ' ' LYS . . . . . . . . . . . . . 12.0 mttt . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.241 -0.885 . . . . 0.0 110.859 -179.96 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 565' ' ' ARG . . . . . 0.446 ' HB3' ' CD2' ' A' ' 567' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.415 0 CA-C-O 120.689 0.281 . . . . 0.0 111.152 . . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 566' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -72.58 60.91 3.52 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.594 2.196 . . . . 0.0 112.437 -179.892 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 567' ' ' PHE . . . . . 0.446 ' CD2' ' HB3' ' A' ' 565' ' ' ARG . 59.7 m-85 -129.36 100.48 5.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.807 179.857 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 568' ' ' MET . . . . . . . . . . . . . 18.8 ptp -138.15 130.26 28.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.055 -179.953 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 569' ' ' CYS . . . . . 0.511 ' N ' HD22 ' A' ' 584' ' ' LEU . 0.5 OUTLIER -57.32 135.49 56.5 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.195 179.753 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 17.3 p -92.83 33.92 1.12 Allowed 'General case' 0 N--CA 1.463 0.212 0 N-CA-C 112.57 0.581 . . . . 0.0 112.57 -178.441 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 571' ' ' TRP . . . . . 0.478 ' CZ2' ' HB2' ' A' ' 588' ' ' LYS . 1.3 m-90 -67.22 -177.43 0.67 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.86 0.362 . . . . 0.0 110.939 179.552 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 2.6 t -70.69 -46.87 62.36 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.95 -179.962 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 573' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -158.2 77.64 0.8 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 179.938 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 574' ' ' CYS . . . . . . . . . . . . . 41.7 t -101.23 -49.91 3.93 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.723 179.95 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . 63.03 61.59 6.26 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.627 179.885 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 576' ' ' LYS . . . . . . . . . . . . . 2.8 mtpm? -154.37 107.53 2.87 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-O 120.921 0.391 . . . . 0.0 110.895 179.827 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 4.3 mtt180 -89.5 156.48 18.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.676 179.968 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 578' ' ' PHE . . . . . 0.49 ' CD2' ' HB3' ' A' ' 583' ' ' GLU . 9.9 m-85 -135.87 163.89 29.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.032 0.444 . . . . 0.0 111.277 -179.869 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 579' ' ' THR . . . . . . . . . . . . . 27.2 m -100.6 -6.04 25.85 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.464 -179.928 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 580' ' ' ARG . . . . . . . . . . . . . 2.3 mmm180 -138.82 137.12 36.33 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.834 0.349 . . . . 0.0 110.883 -179.762 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 581' ' ' SER . . . . . 0.452 ' O ' ' NE2' ' A' ' 585' ' ' GLN . 88.3 p -59.29 -38.36 80.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.389 179.695 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 582' ' ' ASP . . . . . 0.416 ' O ' ' HG3' ' A' ' 586' ' ' ARG . 85.1 m-20 -52.84 -35.08 56.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.281 -179.981 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 583' ' ' GLU . . . . . 0.565 ' O ' ' HB3' ' A' ' 587' ' ' HIS . 4.8 tp10 -55.22 -56.14 23.36 Favored 'General case' 0 CA--C 1.509 -0.622 0 CA-C-O 120.998 0.428 . . . . 0.0 110.928 179.917 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 584' ' ' LEU . . . . . 0.511 HD22 ' N ' ' A' ' 569' ' ' CYS . 18.8 mt -55.7 -33.77 64.48 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.706 -179.2 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 585' ' ' GLN . . . . . 0.46 ' O ' ' CG ' ' A' ' 588' ' ' LYS . 0.1 OUTLIER -64.78 -56.35 14.12 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.0 0.428 . . . . 0.0 109.902 179.803 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 586' ' ' ARG . . . . . 0.557 ' O ' ' HB2' ' A' ' 589' ' ' ARG . 24.9 mtm180 -73.5 -38.24 65.44 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.938 -0.574 . . . . 0.0 112.526 179.782 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 587' ' ' HIS . . . . . 0.565 ' HB3' ' O ' ' A' ' 583' ' ' GLU . 0.1 OUTLIER -64.62 -36.77 85.32 Favored 'General case' 0 CA--C 1.518 -0.276 0 C-N-CA 120.299 -0.56 . . . . 0.0 109.762 -179.11 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 588' ' ' LYS . . . . . 0.478 ' HB2' ' CZ2' ' A' ' 571' ' ' TRP . 0.6 OUTLIER -62.82 -30.59 71.6 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 178.662 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 589' ' ' ARG . . . . . 0.557 ' HB2' ' O ' ' A' ' 586' ' ' ARG . 31.2 mmt180 -50.25 -29.39 9.45 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.214 -0.903 . . . . 0.0 110.866 179.478 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 590' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -113.48 28.97 8.35 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.948 -179.672 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 591' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -94.22 -53.54 3.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.909 -179.904 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 592' ' ' THR . . . . . 0.415 HG23 ' N ' ' A' ' 593' ' ' GLY . 10.1 t -96.44 -45.19 6.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.937 -179.986 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 593' ' ' GLY . . . . . 0.415 ' N ' HG23 ' A' ' 592' ' ' THR . . . 117.03 79.63 0.74 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.431 -179.941 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 594' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -165.67 142.9 5.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.777 0.322 . . . . 0.0 110.939 -179.948 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 595' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.242 -0.885 . . . . 0.0 110.858 -179.956 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 565' ' ' ARG . . . . . 0.465 ' N ' ' HD2' ' A' ' 566' ' ' PRO . 22.3 mtt180 . . . . . 0 N--CA 1.489 1.485 0 N-CA-C 111.743 0.275 . . . . 0.0 111.743 . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 566' ' ' PRO . . . . . 0.465 ' HD2' ' N ' ' A' ' 565' ' ' ARG . 74.0 Cg_endo -76.42 58.45 5.78 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.207 1.938 . . . . 0.0 112.465 -179.882 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 567' ' ' PHE . . . . . 0.419 ' CD1' ' HB3' ' A' ' 581' ' ' SER . 79.0 m-85 -129.23 131.48 47.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.702 179.752 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 568' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -147.35 129.22 15.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.198 -179.817 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 569' ' ' CYS . . . . . 0.419 ' HB2' ' CE3' ' A' ' 571' ' ' TRP . 7.7 p -63.25 150.89 42.01 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 179.187 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 40.4 p -89.08 24.45 2.12 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 -179.028 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 571' ' ' TRP . . . . . 0.47 ' CZ2' ' HB2' ' A' ' 588' ' ' LYS . 7.9 m-90 -101.07 98.23 8.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.78 0.324 . . . . 0.0 110.738 179.386 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 67.0 m -50.24 -46.19 54.58 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.029 -179.851 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 573' ' ' TYR . . . . . . . . . . . . . 31.5 t80 -62.58 -18.27 61.78 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.066 179.806 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 574' ' ' CYS . . . . . 0.468 ' HB2' ' CE1' ' A' ' 591' ' ' HIS . 33.7 t -82.49 -50.38 8.9 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.221 -179.827 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . 47.79 70.02 0.81 Allowed Glycine 0 C--N 1.331 0.277 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.461 -179.71 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 576' ' ' LYS . . . . . 0.435 ' HE2' ' CE2' ' A' ' 578' ' ' PHE . 6.4 tttp -156.24 133.02 10.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.871 0.367 . . . . 0.0 111.096 -179.666 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 15.3 mtt-85 -89.59 158.63 17.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.499 179.739 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 578' ' ' PHE . . . . . 0.438 ' CD2' ' HB3' ' A' ' 583' ' ' GLU . 53.2 m-85 -128.77 160.87 31.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.044 0.45 . . . . 0.0 111.462 -179.613 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 579' ' ' THR . . . . . . . . . . . . . 4.5 m -90.84 -21.41 21.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.578 179.472 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 580' ' ' ARG . . . . . . . . . . . . . 32.5 mmm180 -141.36 137.13 32.12 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.43 179.697 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 581' ' ' SER . . . . . 0.613 ' HA ' HD23 ' A' ' 584' ' ' LEU . 0.1 OUTLIER -56.59 -38.62 72.27 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.101 -179.724 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -52.64 -35.36 54.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.781 -179.539 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 583' ' ' GLU . . . . . 0.555 ' O ' ' HB3' ' A' ' 587' ' ' HIS . 4.5 tp10 -56.95 -55.95 27.96 Favored 'General case' 0 CA--C 1.509 -0.623 0 CA-C-O 121.056 0.455 . . . . 0.0 111.187 -179.84 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 584' ' ' LEU . . . . . 0.613 HD23 ' HA ' ' A' ' 581' ' ' SER . 0.7 OUTLIER -56.35 -32.68 64.93 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.341 -178.905 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 585' ' ' GLN . . . . . 0.429 ' O ' ' HG2' ' A' ' 588' ' ' LYS . 0.4 OUTLIER -62.76 -56.82 14.06 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 179.294 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 586' ' ' ARG . . . . . 0.59 ' O ' ' HD2' ' A' ' 589' ' ' ARG . 0.0 OUTLIER -73.39 -41.7 63.03 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.949 -0.569 . . . . 0.0 112.458 179.474 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 587' ' ' HIS . . . . . 0.555 ' HB3' ' O ' ' A' ' 583' ' ' GLU . 0.0 OUTLIER -58.82 -26.09 63.8 Favored 'General case' 0 C--N 1.333 -0.142 0 C-N-CA 120.646 -0.422 . . . . 0.0 110.114 -179.522 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 588' ' ' LYS . . . . . 0.542 ' HB3' ' O ' ' A' ' 584' ' ' LEU . 6.3 pttt -65.28 -27.97 69.0 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.92 178.983 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 589' ' ' ARG . . . . . 0.59 ' HD2' ' O ' ' A' ' 586' ' ' ARG . 0.0 OUTLIER -45.36 -29.42 1.05 Allowed 'General case' 0 C--O 1.231 0.121 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.751 -179.545 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 590' ' ' THR . . . . . 0.428 ' N ' ' CD ' ' A' ' 589' ' ' ARG . 9.5 t -113.22 37.18 3.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.804 179.705 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 591' ' ' HIS . . . . . 0.468 ' CE1' ' HB2' ' A' ' 574' ' ' CYS . 0.0 OUTLIER -114.25 152.16 31.74 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.868 -179.967 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 592' ' ' THR . . . . . 0.467 HG23 ' HE1' ' A' ' 571' ' ' TRP . 17.2 p 52.88 -170.13 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.058 179.876 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 593' ' ' GLY . . . . . . . . . . . . . . . -103.45 40.21 2.52 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.639 -179.969 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 594' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -94.42 -50.06 5.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.804 0.335 . . . . 0.0 110.876 179.913 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 595' ' ' LYS . . . . . . . . . . . . . 12.0 mtpt . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.212 -0.899 . . . . 0.0 110.916 179.916 . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 565' ' ' ARG . . . . . 0.635 ' HG3' HG23 ' A' ' 579' ' ' THR . 2.3 mtt-85 . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.679 0.276 . . . . 0.0 111.081 . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 566' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_endo -83.02 47.36 2.41 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.812 2.341 . . . . 0.0 112.937 -179.717 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 567' ' ' PHE . . . . . 0.451 ' CD2' ' HB3' ' A' ' 565' ' ' ARG . 32.3 m-85 -129.31 105.58 8.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.731 179.733 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 568' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -147.45 125.71 12.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.022 -179.944 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 569' ' ' CYS . . . . . 0.408 ' N ' ' CD2' ' A' ' 584' ' ' LEU . 0.1 OUTLIER -60.69 125.28 23.12 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 179.522 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 31.9 p -93.77 34.9 1.17 Allowed 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 111.965 0.358 . . . . 0.0 111.965 -178.812 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 571' ' ' TRP . . . . . 0.494 ' CZ2' ' HB2' ' A' ' 588' ' ' LYS . 1.2 m-90 -60.33 171.87 0.97 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.849 0.357 . . . . 0.0 111.072 179.732 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 87.6 p -53.45 -46.95 70.08 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.306 -179.714 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 573' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -161.94 75.35 0.46 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.003 0.43 . . . . 0.0 110.917 179.967 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 574' ' ' CYS . . . . . . . . . . . . . 40.4 t -101.45 -49.1 4.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.711 179.857 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . 62.62 64.33 3.94 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.444 179.981 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 576' ' ' LYS . . . . . . . . . . . . . 33.6 mttt -158.02 121.13 3.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.807 0.337 . . . . 0.0 110.909 179.902 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 7.8 mtp85 -89.55 163.47 15.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 179.901 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 578' ' ' PHE . . . . . 0.437 ' CD2' ' HB3' ' A' ' 583' ' ' GLU . 75.6 m-85 -139.75 163.71 31.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.31 -179.528 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 579' ' ' THR . . . . . 0.635 HG23 ' HG3' ' A' ' 565' ' ' ARG . 68.6 m -100.6 -16.07 17.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.269 179.944 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 580' ' ' ARG . . . . . . . . . . . . . 1.1 mtt85 -147.4 142.53 27.14 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-O 120.81 0.338 . . . . 0.0 110.947 -179.966 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 581' ' ' SER . . . . . 0.782 ' HA ' HD12 ' A' ' 584' ' ' LEU . 1.4 m -58.76 -24.87 62.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.94 179.813 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -58.86 -43.46 90.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.094 -179.917 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 583' ' ' GLU . . . . . 0.467 ' O ' ' HB3' ' A' ' 587' ' ' HIS . 3.3 tp10 -55.11 -49.0 72.84 Favored 'General case' 0 CA--C 1.509 -0.62 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.893 179.85 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 584' ' ' LEU . . . . . 0.782 HD12 ' HA ' ' A' ' 581' ' ' SER . 2.6 mt -53.82 -32.72 53.78 Favored 'General case' 0 C--N 1.318 -0.761 0 C-N-CA 120.625 -0.43 . . . . 0.0 110.177 179.763 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 585' ' ' GLN . . . . . 0.721 ' HG2' ' N ' ' A' ' 586' ' ' ARG . 0.0 OUTLIER -64.18 -56.06 17.42 Favored 'General case' 0 N--CA 1.449 -0.517 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 178.828 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 586' ' ' ARG . . . . . 0.721 ' N ' ' HG2' ' A' ' 585' ' ' GLN . 0.1 OUTLIER -73.57 -41.25 63.17 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.59 -0.732 . . . . 0.0 112.37 179.842 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 587' ' ' HIS . . . . . 0.467 ' HB3' ' O ' ' A' ' 583' ' ' GLU . 0.1 OUTLIER -63.7 -48.19 78.13 Favored 'General case' 0 CA--C 1.519 -0.222 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 -179.279 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 588' ' ' LYS . . . . . 0.518 ' HG2' ' O ' ' A' ' 585' ' ' GLN . 10.6 pttt -57.54 -31.75 66.41 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 178.378 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 589' ' ' ARG . . . . . 0.421 ' CB ' ' O ' ' A' ' 586' ' ' ARG . 0.0 OUTLIER -48.76 -29.32 4.38 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 114.837 -1.074 . . . . 0.0 110.842 179.413 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 590' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -114.58 26.18 10.41 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.852 179.95 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 591' ' ' HIS . . . . . 0.461 ' HB2' ' HA ' ' A' ' 588' ' ' LYS . 1.2 t-80 -85.73 -62.83 1.43 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.891 -179.895 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 592' ' ' THR . . . . . 0.551 ' O ' HG23 ' A' ' 592' ' ' THR . 7.1 t -146.51 86.66 1.68 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 179.909 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 593' ' ' GLY . . . . . . . . . . . . . . . 141.35 -27.04 2.41 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.572 -179.973 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 594' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 61.52 165.84 0.09 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.768 0.318 . . . . 0.0 110.975 -179.98 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 595' ' ' LYS . . . . . . . . . . . . . 1.4 tppp? . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.194 -0.908 . . . . 0.0 110.882 -179.985 . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 565' ' ' ARG . . . . . . . . . . . . . 48.2 ttm-85 . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.737 0.303 . . . . 0.0 111.197 . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 566' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -66.15 80.64 0.29 Allowed 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.596 2.197 . . . . 0.0 112.333 -179.982 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 567' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -106.15 107.09 17.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.698 179.898 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 568' ' ' MET . . . . . 0.423 ' CB ' ' HA ' ' A' ' 577' ' ' ARG . 9.2 ptt? -112.02 134.04 53.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.028 -179.831 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 569' ' ' CYS . . . . . 0.567 ' HA ' HD23 ' A' ' 584' ' ' LEU . 0.5 OUTLIER -53.57 124.41 14.93 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.218 179.766 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 14.7 p -94.56 35.93 1.19 Allowed 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 112.122 0.415 . . . . 0.0 112.122 -178.557 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 571' ' ' TRP . . . . . 0.506 ' CD1' ' CE1' ' A' ' 591' ' ' HIS . 1.2 m-90 -61.47 173.79 0.86 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.725 0.298 . . . . 0.0 110.777 179.64 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 4.9 m -53.22 -46.94 69.31 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.193 -179.785 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 573' ' ' TYR . . . . . . . . . . . . . 13.0 p90 -166.64 76.05 0.18 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.6 179.85 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 574' ' ' CYS . . . . . 0.424 ' HB2' ' CE1' ' A' ' 591' ' ' HIS . 53.6 t -97.75 -50.3 4.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.103 -179.619 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . 74.03 52.88 7.47 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.663 -0.78 . . . . 0.0 112.402 -179.865 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 576' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -152.05 115.37 4.75 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.808 0.337 . . . . 0.0 110.803 179.887 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 577' ' ' ARG . . . . . 0.423 ' HA ' ' CB ' ' A' ' 568' ' ' MET . 25.8 mtp85 -94.42 154.99 17.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.132 -179.835 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 578' ' ' PHE . . . . . 0.48 ' CD1' ' HG2' ' A' ' 583' ' ' GLU . 5.4 m-85 -139.66 163.92 31.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.123 179.992 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 579' ' ' THR . . . . . . . . . . . . . 24.4 m -105.45 -7.45 18.71 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.58 -179.9 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 580' ' ' ARG . . . . . . . . . . . . . 3.8 mmt-85 -135.5 137.12 41.81 Favored 'General case' 0 N--CA 1.456 -0.147 0 CA-C-O 120.876 0.369 . . . . 0.0 111.01 -179.787 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 581' ' ' SER . . . . . . . . . . . . . 88.4 p -60.83 -34.16 74.15 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.543 179.76 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -54.19 -39.24 66.46 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.07 179.918 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 583' ' ' GLU . . . . . 0.519 ' O ' ' HB3' ' A' ' 587' ' ' HIS . 7.2 tp10 -55.29 -55.3 32.99 Favored 'General case' 0 CA--C 1.508 -0.639 0 CA-C-O 121.133 0.492 . . . . 0.0 110.677 179.557 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 584' ' ' LEU . . . . . 0.567 HD23 ' HA ' ' A' ' 569' ' ' CYS . 6.5 mp -54.31 -35.72 62.94 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.544 -179.073 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 585' ' ' GLN . . . . . 0.466 ' O ' ' HG2' ' A' ' 588' ' ' LYS . 23.8 mm-40 -62.27 -56.83 14.72 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 179.582 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 586' ' ' ARG . . . . . 0.568 ' O ' ' HB3' ' A' ' 589' ' ' ARG . 0.5 OUTLIER -73.73 -42.37 61.24 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 113.1 0.778 . . . . 0.0 113.1 179.953 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 587' ' ' HIS . . . . . 0.519 ' HB3' ' O ' ' A' ' 583' ' ' GLU . 0.0 OUTLIER -57.43 -33.57 68.05 Favored 'General case' 0 CA--C 1.52 -0.19 0 C-N-CA 120.511 -0.476 . . . . 0.0 110.47 -178.174 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 588' ' ' LYS . . . . . 0.466 ' HG2' ' O ' ' A' ' 585' ' ' GLN . 0.3 OUTLIER -53.3 -27.36 22.56 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.047 178.838 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 589' ' ' ARG . . . . . 0.568 ' HB3' ' O ' ' A' ' 586' ' ' ARG . 0.0 OUTLIER -44.96 -31.15 1.18 Allowed 'General case' 0 N--CA 1.462 0.149 0 CA-C-N 115.505 -0.771 . . . . 0.0 110.87 -179.097 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 590' ' ' THR . . . . . 0.447 HG22 ' O ' ' A' ' 587' ' ' HIS . 14.9 t -107.97 34.9 3.34 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.901 179.919 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 591' ' ' HIS . . . . . 0.506 ' CE1' ' CD1' ' A' ' 571' ' ' TRP . 0.1 OUTLIER -116.86 -69.94 0.82 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.839 -179.929 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 592' ' ' THR . . . . . . . . . . . . . 58.1 p -139.57 158.04 44.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.879 179.973 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 593' ' ' GLY . . . . . . . . . . . . . . . 100.44 -162.4 18.85 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.47 179.923 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 594' ' ' GLU . . . . . . . . . . . . . 71.0 mm-40 -108.15 -41.62 4.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.821 0.343 . . . . 0.0 110.86 -179.999 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 595' ' ' LYS . . . . . . . . . . . . . 12.2 tttp . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.183 -0.913 . . . . 0.0 110.895 -179.999 . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 565' ' ' ARG . . . . . 0.444 ' HB3' ' CD2' ' A' ' 567' ' ' PHE . 0.5 OUTLIER . . . . . 0 N--CA 1.487 1.413 0 CA-C-O 120.737 0.303 . . . . 0.0 111.212 . . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 566' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -82.11 53.63 4.64 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.804 2.336 . . . . 0.0 112.647 -179.799 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 567' ' ' PHE . . . . . 0.444 ' CD2' ' HB3' ' A' ' 565' ' ' ARG . 58.4 m-85 -103.58 91.0 3.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.689 179.754 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 568' ' ' MET . . . . . 0.468 ' HB3' ' CG ' ' A' ' 577' ' ' ARG . 0.0 OUTLIER -119.36 145.49 46.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.322 -179.806 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 569' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -64.98 133.68 52.26 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 179.217 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 76.4 p -84.58 36.21 0.59 Allowed 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 113.245 0.832 . . . . 0.0 113.245 -177.807 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 571' ' ' TRP . . . . . 0.566 ' CZ2' ' HB2' ' A' ' 588' ' ' LYS . 0.5 OUTLIER -68.16 -177.3 0.84 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.818 0.342 . . . . 0.0 110.84 179.453 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 2.6 p -61.07 -45.17 95.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.868 179.95 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 573' ' ' TYR . . . . . . . . . . . . . 16.5 t80 -163.62 72.08 0.27 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.947 179.92 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 574' ' ' CYS . . . . . . . . . . . . . 15.4 t -91.67 -50.03 5.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.708 179.91 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . 66.23 12.52 58.28 Favored Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 120.931 -0.652 . . . . 0.0 113.103 179.69 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 576' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -95.41 101.17 12.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.815 0.34 . . . . 0.0 110.888 179.94 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 577' ' ' ARG . . . . . 0.468 ' CG ' ' HB3' ' A' ' 568' ' ' MET . 12.8 mtm105 -89.59 141.89 28.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.985 -179.926 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 578' ' ' PHE . . . . . 0.561 ' CD2' ' HB3' ' A' ' 583' ' ' GLU . 14.8 m-85 -128.39 163.89 23.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.036 -179.854 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 579' ' ' THR . . . . . . . . . . . . . 24.2 m -92.18 -6.37 50.78 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.529 -179.916 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 580' ' ' ARG . . . . . . . . . . . . . 3.0 mmm180 -142.02 137.15 30.91 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.809 0.338 . . . . 0.0 110.883 -179.777 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 581' ' ' SER . . . . . 0.612 ' HA ' HD23 ' A' ' 584' ' ' LEU . 0.3 OUTLIER -57.46 -37.31 72.66 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.492 179.837 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -52.75 -35.73 56.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.438 179.995 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 583' ' ' GLU . . . . . 0.561 ' HB3' ' CD2' ' A' ' 578' ' ' PHE . 10.6 tp10 -55.58 -56.37 21.14 Favored 'General case' 0 CA--C 1.509 -0.613 0 CA-C-O 120.95 0.405 . . . . 0.0 111.205 -179.813 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 584' ' ' LEU . . . . . 0.612 HD23 ' HA ' ' A' ' 581' ' ' SER . 0.7 OUTLIER -56.36 -33.0 65.25 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.14 -179.238 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 585' ' ' GLN . . . . . 0.441 ' O ' ' HG3' ' A' ' 588' ' ' LYS . 0.3 OUTLIER -63.5 -55.25 25.54 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.084 0.468 . . . . 0.0 109.904 179.199 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 586' ' ' ARG . . . . . 0.445 ' HG3' ' N ' ' A' ' 587' ' ' HIS . 4.8 ptm180 -72.53 -39.74 67.31 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.81 -0.632 . . . . 0.0 112.022 179.826 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 587' ' ' HIS . . . . . 0.551 ' HB3' ' O ' ' A' ' 583' ' ' GLU . 0.0 OUTLIER -64.57 -47.24 79.47 Favored 'General case' 0 CA--C 1.52 -0.188 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 -179.886 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 588' ' ' LYS . . . . . 0.566 ' HB2' ' CZ2' ' A' ' 571' ' ' TRP . 0.0 OUTLIER -65.39 -30.68 71.52 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-O 121.445 0.64 . . . . 0.0 109.358 178.485 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 589' ' ' ARG . . . . . 0.442 ' N ' ' HG3' ' A' ' 588' ' ' LYS . 0.1 OUTLIER -46.65 -29.86 2.05 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.003 -0.999 . . . . 0.0 111.145 179.88 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 590' ' ' THR . . . . . . . . . . . . . 5.0 t -128.93 39.23 3.82 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.857 -179.909 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 591' ' ' HIS . . . . . 0.511 ' CD2' ' CE1' ' A' ' 587' ' ' HIS . 0.3 OUTLIER -162.53 103.02 1.06 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.67 -179.786 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 592' ' ' THR . . . . . 0.446 HG21 ' HB3' ' A' ' 595' ' ' LYS . 4.7 t -178.12 164.02 1.77 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.889 -179.986 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 593' ' ' GLY . . . . . . . . . . . . . . . -73.99 -28.1 65.26 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.512 179.996 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 594' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -149.23 122.75 9.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.782 0.325 . . . . 0.0 110.922 -179.934 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 595' ' ' LYS . . . . . 0.446 ' HB3' HG21 ' A' ' 592' ' ' THR . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.235 -0.888 . . . . 0.0 110.932 179.966 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 565' ' ' ARG . . . . . 0.876 ' HG2' HG23 ' A' ' 579' ' ' THR . 7.8 mtp180 . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.708 0.289 . . . . 0.0 111.198 . . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 566' ' ' PRO . . . . . 0.412 ' HD2' ' CE2' ' A' ' 567' ' ' PHE . 87.8 Cg_endo -81.2 48.0 2.74 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.714 2.276 . . . . 0.0 112.742 -179.864 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 567' ' ' PHE . . . . . 0.797 ' HB3' HD11 ' A' ' 584' ' ' LEU . 8.1 m-85 -129.39 104.7 7.64 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.645 179.795 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 568' ' ' MET . . . . . . . . . . . . . 23.9 ptt? -144.22 117.06 8.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.843 0.354 . . . . 0.0 111.233 -179.82 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 569' ' ' CYS . . . . . 0.79 ' HB2' HD23 ' A' ' 584' ' ' LEU . 2.1 t -91.39 13.66 16.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.756 179.66 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 570' ' ' THR . . . . . 0.824 HG22 ' H ' ' A' ' 576' ' ' LYS . 4.0 p -72.72 51.74 0.28 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.53 -0.305 . . . . 0.0 110.592 179.514 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 571' ' ' TRP . . . . . 0.518 ' NE1' ' HB2' ' A' ' 574' ' ' CYS . 0.0 OUTLIER -44.75 -98.97 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 111.778 0.288 . . . . 0.0 111.778 -179.519 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 34.1 t -90.88 -46.82 7.97 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-O 120.658 0.266 . . . . 0.0 111.134 -179.739 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 573' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -154.81 52.89 0.64 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.434 -179.736 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 574' ' ' CYS . . . . . 0.518 ' HB2' ' NE1' ' A' ' 571' ' ' TRP . 0.0 OUTLIER -90.55 -42.08 11.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.909 0.385 . . . . 0.0 110.157 179.494 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . 56.64 67.87 1.99 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.986 -0.626 . . . . 0.0 113.225 179.475 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 576' ' ' LYS . . . . . 0.824 ' H ' HG22 ' A' ' 570' ' ' THR . 2.4 mttp -169.39 114.16 0.54 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.844 0.354 . . . . 0.0 110.831 179.503 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 26.0 mtt-85 -89.37 163.47 15.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.509 179.945 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 578' ' ' PHE . . . . . 0.448 ' CE2' ' HG2' ' A' ' 583' ' ' GLU . 91.6 m-85 -148.39 160.55 42.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.066 0.46 . . . . 0.0 111.502 -179.596 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 579' ' ' THR . . . . . 0.876 HG23 ' HG2' ' A' ' 565' ' ' ARG . 58.7 m -110.91 -11.68 14.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.095 179.821 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 580' ' ' ARG . . . . . . . . . . . . . 13.4 mmt-85 -128.23 137.13 51.88 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.851 0.358 . . . . 0.0 110.628 179.892 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 581' ' ' SER . . . . . . . . . . . . . 3.5 p -65.43 -30.08 70.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 -179.997 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 582' ' ' ASP . . . . . 0.409 ' HA ' ' HG2' ' A' ' 585' ' ' GLN . 0.4 OUTLIER -65.02 -35.63 81.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.269 -179.845 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 583' ' ' GLU . . . . . 0.464 ' O ' ' HB3' ' A' ' 587' ' ' HIS . 2.6 tt0 -55.25 -55.1 35.16 Favored 'General case' 0 CA--C 1.511 -0.543 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.169 -179.921 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 584' ' ' LEU . . . . . 0.797 HD11 ' HB3' ' A' ' 567' ' ' PHE . 2.3 mp -54.4 -33.45 59.35 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.166 -179.463 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 585' ' ' GLN . . . . . 0.428 ' O ' ' HG3' ' A' ' 588' ' ' LYS . 21.7 mm-40 -62.24 -56.36 19.38 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.533 -0.467 . . . . 0.0 109.864 179.147 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 586' ' ' ARG . . . . . . . . . . . . . 2.7 ptp180 -72.86 -42.3 63.86 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.847 -0.615 . . . . 0.0 112.343 179.792 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 587' ' ' HIS . . . . . 0.464 ' HB3' ' O ' ' A' ' 583' ' ' GLU . 0.1 OUTLIER -62.91 -47.57 82.69 Favored 'General case' 0 CA--C 1.521 -0.156 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 -179.393 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 588' ' ' LYS . . . . . 0.441 ' HA ' ' HB2' ' A' ' 591' ' ' HIS . 0.0 OUTLIER -61.7 -31.41 71.55 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 178.323 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 589' ' ' ARG . . . . . 0.433 ' N ' ' HG3' ' A' ' 588' ' ' LYS . 0.0 OUTLIER -48.12 -29.67 3.85 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 114.865 -1.061 . . . . 0.0 111.02 179.539 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 590' ' ' THR . . . . . . . . . . . . . 4.5 t -121.31 34.18 5.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.866 -179.983 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 591' ' ' HIS . . . . . 0.441 ' HB2' ' HA ' ' A' ' 588' ' ' LYS . 1.8 t-80 -85.74 -53.04 5.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.929 -179.895 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 592' ' ' THR . . . . . . . . . . . . . 2.6 t -128.88 84.92 2.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.897 179.937 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 593' ' ' GLY . . . . . . . . . . . . . . . 103.63 173.18 25.8 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.483 179.97 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 594' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -82.18 95.85 7.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.801 0.334 . . . . 0.0 110.91 179.975 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 595' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.25 1.087 0 CA-C-O 118.237 -0.887 . . . . 0.0 110.912 179.998 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 565' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.412 0 CA-C-O 120.776 0.322 . . . . 0.0 111.226 . . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 566' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -83.7 49.7 2.97 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.769 2.313 . . . . 0.0 112.571 -179.912 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 567' ' ' PHE . . . . . . . . . . . . . 61.7 m-85 -129.33 111.3 12.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.857 179.953 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 568' ' ' MET . . . . . . . . . . . . . 3.7 ptt? -147.38 111.16 5.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.192 -179.941 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 569' ' ' CYS . . . . . 0.565 ' HB3' HD23 ' A' ' 584' ' ' LEU . 0.5 OUTLIER -58.39 131.97 52.27 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.238 179.556 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 14.5 p -130.68 40.08 3.54 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 111.904 0.335 . . . . 0.0 111.904 -179.28 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 571' ' ' TRP . . . . . 0.639 ' CZ2' ' HB3' ' A' ' 588' ' ' LYS . 2.3 m95 -54.03 -99.86 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 120.918 -0.313 . . . . 0.0 110.92 179.85 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 572' ' ' SER . . . . . 0.483 ' H ' ' HB2' ' A' ' 571' ' ' TRP . 0.4 OUTLIER -102.24 -47.15 4.6 Favored 'General case' 0 C--O 1.231 0.09 0 CA-C-O 120.921 0.391 . . . . 0.0 111.0 179.793 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 573' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -179.2 79.83 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.736 -179.934 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 574' ' ' CYS . . . . . 0.455 ' HB3' ' SG ' ' A' ' 569' ' ' CYS . 34.8 t -101.48 -50.25 3.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.803 -179.907 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . 68.41 58.95 6.61 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.558 -179.95 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 576' ' ' LYS . . . . . . . . . . . . . 4.3 mtpp -154.36 124.81 6.96 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.913 0.387 . . . . 0.0 111.019 179.852 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 60.3 mtt-85 -89.56 163.43 15.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.82 179.961 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 578' ' ' PHE . . . . . 0.492 ' CD2' ' HB3' ' A' ' 583' ' ' GLU . 1.8 m-85 -138.48 163.98 30.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.13 -179.945 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 579' ' ' THR . . . . . . . . . . . . . 4.1 m -99.14 -7.94 25.9 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.629 -179.748 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 580' ' ' ARG . . . . . . . . . . . . . 3.0 mmt180 -146.72 137.12 23.73 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.854 0.359 . . . . 0.0 111.133 -179.82 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 581' ' ' SER . . . . . 0.687 ' HA ' HD12 ' A' ' 584' ' ' LEU . 0.2 OUTLIER -59.67 -31.68 69.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.546 179.737 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -56.12 -37.56 69.6 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.912 179.879 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 583' ' ' GLU . . . . . 0.581 ' O ' ' HB3' ' A' ' 587' ' ' HIS . 3.1 tt0 -55.41 -55.29 33.32 Favored 'General case' 0 CA--C 1.509 -0.633 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.82 179.625 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 584' ' ' LEU . . . . . 0.687 HD12 ' HA ' ' A' ' 581' ' ' SER . 0.4 OUTLIER -54.41 -33.12 58.76 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.475 -179.47 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 585' ' ' GLN . . . . . . . . . . . . . 24.9 mm-40 -65.11 -56.87 10.47 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.408 -0.517 . . . . 0.0 109.956 179.59 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 586' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.25 -37.98 66.15 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.728 -0.669 . . . . 0.0 112.717 179.924 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 587' ' ' HIS . . . . . 0.581 ' HB3' ' O ' ' A' ' 583' ' ' GLU . 0.2 OUTLIER -67.3 -34.76 78.04 Favored 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 -179.424 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 588' ' ' LYS . . . . . 0.639 ' HB3' ' CZ2' ' A' ' 571' ' ' TRP . 0.0 OUTLIER -68.34 -31.33 70.66 Favored 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 108.52 -0.919 . . . . 0.0 108.52 177.553 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 589' ' ' ARG . . . . . 0.52 ' N ' ' HG3' ' A' ' 588' ' ' LYS . 0.0 OUTLIER -55.06 -28.54 53.13 Favored 'General case' 0 N--CA 1.456 -0.167 0 CA-C-N 114.593 -1.185 . . . . 0.0 111.186 179.835 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 590' ' ' THR . . . . . . . . . . . . . 7.1 t -128.69 35.89 4.3 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.146 -179.715 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 591' ' ' HIS . . . . . 0.631 ' HD1' HG23 ' A' ' 592' ' ' THR . 4.5 t-80 -70.28 129.47 39.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.507 179.73 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 592' ' ' THR . . . . . 0.631 HG23 ' HD1' ' A' ' 591' ' ' HIS . 5.3 p 60.13 43.56 14.03 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.813 -179.524 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 593' ' ' GLY . . . . . . . . . . . . . . . 79.49 -153.19 36.71 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.47 -179.979 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 594' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 60.94 156.49 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.877 0.37 . . . . 0.0 110.867 -179.999 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 595' ' ' LYS . . . . . . . . . . . . . 10.3 tttt . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.245 -0.883 . . . . 0.0 110.904 -179.979 . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 565' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.398 0 CA-C-O 120.683 0.278 . . . . 0.0 111.096 . . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 566' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -82.05 47.86 2.63 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.721 2.281 . . . . 0.0 112.853 -179.786 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 567' ' ' PHE . . . . . . . . . . . . . 53.6 m-85 -129.35 90.98 3.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.475 -0.329 . . . . 0.0 110.824 179.801 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 568' ' ' MET . . . . . . . . . . . . . 1.5 ptp -136.08 133.13 37.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.959 -179.888 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 569' ' ' CYS . . . . . 0.43 ' N ' ' CD2' ' A' ' 584' ' ' LEU . 0.5 OUTLIER -61.53 132.92 54.92 Favored 'General case' 0 CA--C 1.532 0.277 0 N-CA-C 109.765 -0.457 . . . . 0.0 109.765 179.635 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 68.5 p -85.18 39.46 0.77 Allowed 'General case' 0 N--CA 1.464 0.241 0 N-CA-C 112.903 0.705 . . . . 0.0 112.903 -178.135 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 571' ' ' TRP . . . . . 0.508 ' CZ2' ' HB2' ' A' ' 588' ' ' LYS . 0.8 OUTLIER -72.39 -176.92 2.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.906 0.384 . . . . 0.0 111.069 179.624 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 13.1 m -88.26 -34.38 17.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.191 -179.742 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 573' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -157.23 52.47 0.48 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.85 0.357 . . . . 0.0 111.356 -179.783 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 574' ' ' CYS . . . . . . . . . . . . . 47.9 t -86.3 -44.14 12.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.523 179.648 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . 56.43 54.71 34.05 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.653 179.831 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 576' ' ' LYS . . . . . 0.432 ' HD2' ' CZ ' ' A' ' 578' ' ' PHE . 0.7 OUTLIER -145.23 115.11 7.36 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-O 120.798 0.332 . . . . 0.0 110.976 179.865 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 3.3 mtt180 -89.46 163.63 15.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.548 179.844 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 578' ' ' PHE . . . . . 0.446 ' CE1' HD23 ' A' ' 584' ' ' LEU . 64.0 m-85 -139.6 163.77 31.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.131 0.491 . . . . 0.0 111.804 -179.174 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 579' ' ' THR . . . . . . . . . . . . . 60.8 m -108.32 -9.76 15.43 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.925 179.577 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 580' ' ' ARG . . . . . . . . . . . . . 15.9 mmm180 -146.0 137.13 24.63 Favored 'General case' 0 N--CA 1.456 -0.164 0 CA-C-O 120.786 0.327 . . . . 0.0 110.662 179.943 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 581' ' ' SER . . . . . 0.762 ' HA ' HD12 ' A' ' 584' ' ' LEU . 0.4 OUTLIER -56.97 -30.19 63.89 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.891 -179.953 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -55.95 -40.51 73.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.339 -179.789 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 583' ' ' GLU . . . . . 0.478 ' O ' ' HB3' ' A' ' 587' ' ' HIS . 4.2 tp10 -55.35 -53.22 58.9 Favored 'General case' 0 CA--C 1.51 -0.592 0 CA-C-O 120.824 0.345 . . . . 0.0 111.028 179.916 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 584' ' ' LEU . . . . . 0.762 HD12 ' HA ' ' A' ' 581' ' ' SER . 0.7 OUTLIER -53.98 -32.97 55.71 Favored 'General case' 0 C--N 1.318 -0.773 0 C-N-CA 120.565 -0.454 . . . . 0.0 110.944 -179.463 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 585' ' ' GLN . . . . . 0.452 ' O ' ' HG2' ' A' ' 588' ' ' LYS . 20.7 mm-40 -65.15 -55.66 17.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.168 0.509 . . . . 0.0 109.816 178.863 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 586' ' ' ARG . . . . . 0.47 ' HA ' ' HB2' ' A' ' 589' ' ' ARG . 0.0 OUTLIER -72.74 -40.78 65.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.725 -0.67 . . . . 0.0 112.403 179.971 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 587' ' ' HIS . . . . . 0.53 ' CE1' ' CD2' ' A' ' 591' ' ' HIS . 0.1 OUTLIER -64.83 -45.42 86.23 Favored 'General case' 0 CA--C 1.521 -0.135 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 -179.567 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 588' ' ' LYS . . . . . 0.508 ' HB2' ' CZ2' ' A' ' 571' ' ' TRP . 13.9 ptmt -66.42 -32.04 73.17 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 178.123 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 589' ' ' ARG . . . . . 0.47 ' HB2' ' HA ' ' A' ' 586' ' ' ARG . 0.4 OUTLIER -46.54 -29.03 1.6 Allowed 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 114.885 -1.052 . . . . 0.0 111.221 179.834 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 590' ' ' THR . . . . . . . . . . . . . 4.5 t -130.14 44.51 2.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.707 -179.914 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 591' ' ' HIS . . . . . 0.685 ' CG ' ' O ' ' A' ' 591' ' ' HIS . 1.5 t60 -172.23 28.1 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.361 0 CA-C-O 121.298 0.57 . . . . 0.0 110.661 -179.477 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 592' ' ' THR . . . . . . . . . . . . . 61.5 m -109.2 -30.52 7.98 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 179.555 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 593' ' ' GLY . . . . . . . . . . . . . . . 103.76 -26.96 21.65 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.459 -179.868 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 594' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -147.4 31.63 0.9 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.78 0.324 . . . . 0.0 110.795 179.967 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 595' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.252 -0.88 . . . . 0.0 110.868 -179.938 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' A' A ' 565' ' ' ARG . . . . . 0.481 ' HG2' HG23 ' A' ' 579' ' ' THR . 25.9 mmt180 . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.711 0.291 . . . . 0.0 111.195 . . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 566' ' ' PRO . . . . . . . . . . . . . 94.0 Cg_endo -84.87 45.87 1.75 Allowed 'Trans proline' 0 N--CA 1.461 -0.392 0 C-N-CA 122.884 2.389 . . . . 0.0 112.795 -179.692 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 567' ' ' PHE . . . . . 0.814 ' HB3' HD11 ' A' ' 584' ' ' LEU . 11.6 m-85 -129.54 107.14 9.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.549 179.729 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 568' ' ' MET . . . . . . . . . . . . . 11.9 ptt? -147.45 104.79 3.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.857 0.361 . . . . 0.0 111.249 -179.839 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 569' ' ' CYS . . . . . 0.604 ' HB2' HD23 ' A' ' 584' ' ' LEU . 1.7 t -72.3 100.47 2.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.654 179.71 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 17.3 p -131.46 49.75 2.29 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.503 179.258 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 571' ' ' TRP . . . . . 0.525 ' CE2' ' SG ' ' A' ' 569' ' ' CYS . 3.2 m95 -40.15 -86.53 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 120.323 -0.551 . . . . 0.0 111.02 -179.217 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 572' ' ' SER . . . . . 0.459 ' H ' ' HB2' ' A' ' 571' ' ' TRP . 1.2 m -103.43 -47.14 4.37 Favored 'General case' 0 C--N 1.333 -0.11 0 CA-C-O 120.886 0.374 . . . . 0.0 110.975 179.811 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 573' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -163.88 60.47 0.16 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.003 -179.686 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 574' ' ' CYS . . . . . . . . . . . . . 22.9 t -84.51 -49.38 8.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.626 179.859 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . 63.01 67.0 2.25 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.444 -179.962 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 576' ' ' LYS . . . . . . . . . . . . . 4.0 tttt -166.63 122.54 1.2 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.865 0.364 . . . . 0.0 110.929 179.909 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 9.0 mtt180 -89.92 163.53 14.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.986 -179.914 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 578' ' ' PHE . . . . . 0.454 ' CD1' ' HG2' ' A' ' 583' ' ' GLU . 35.1 m-85 -138.33 163.48 31.73 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.904 -179.875 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 579' ' ' THR . . . . . 0.481 HG23 ' HG2' ' A' ' 565' ' ' ARG . 7.4 m -114.2 -9.87 12.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.306 179.924 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 580' ' ' ARG . . . . . . . . . . . . . 3.8 mmt85 -138.44 137.11 36.89 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.837 0.351 . . . . 0.0 110.943 -180.0 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 581' ' ' SER . . . . . . . . . . . . . 7.3 t -60.29 -39.02 85.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.76 179.799 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -53.92 -35.92 62.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.236 179.984 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 583' ' ' GLU . . . . . 0.61 ' O ' ' HB3' ' A' ' 587' ' ' HIS . 3.9 tp10 -55.52 -56.16 23.55 Favored 'General case' 0 CA--C 1.511 -0.539 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.107 179.998 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 584' ' ' LEU . . . . . 0.814 HD11 ' HB3' ' A' ' 567' ' ' PHE . 2.4 mp -56.7 -33.2 66.24 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.321 -179.576 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 585' ' ' GLN . . . . . 0.521 ' O ' ' HG2' ' A' ' 588' ' ' LYS . 0.2 OUTLIER -61.4 -56.74 16.95 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.113 0.482 . . . . 0.0 110.034 179.398 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 586' ' ' ARG . . . . . . . . . . . . . 2.4 ptp180 -74.98 -40.67 60.59 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.906 -0.588 . . . . 0.0 112.172 179.65 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 587' ' ' HIS . . . . . 0.61 ' HB3' ' O ' ' A' ' 583' ' ' GLU . 0.9 OUTLIER -64.03 -44.7 91.74 Favored 'General case' 0 N--CA 1.456 -0.168 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 -179.23 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 588' ' ' LYS . . . . . 0.521 ' HG2' ' O ' ' A' ' 585' ' ' GLN . 44.5 pttt -61.95 -32.21 72.62 Favored 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 177.848 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 589' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -48.83 -27.15 2.82 Favored 'General case' 0 C--O 1.231 0.108 0 CA-C-N 114.656 -1.156 . . . . 0.0 111.431 179.797 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 590' ' ' THR . . . . . . . . . . . . . 3.7 t -124.75 44.08 2.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.976 -179.705 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 591' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -105.34 -71.26 0.75 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.145 -179.959 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 592' ' ' THR . . . . . . . . . . . . . 29.4 p -57.57 -28.91 63.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.034 -179.928 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 593' ' ' GLY . . . . . . . . . . . . . . . 88.74 26.69 26.38 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.384 -179.886 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 594' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -154.38 74.34 0.95 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.874 0.369 . . . . 0.0 110.813 -179.968 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 595' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.268 -0.872 . . . . 0.0 110.944 -179.938 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 566' ' ' PRO . . . . . 0.41 ' HD2' ' CE2' ' A' ' 567' ' ' PHE . 93.6 Cg_endo . . . . . 0 N--CA 1.464 -0.259 0 N-CA-C 112.834 0.282 . . . . 0.0 112.834 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 567' ' ' PHE . . . . . 0.41 ' CE2' ' HD2' ' A' ' 566' ' ' PRO . 12.5 m-85 -129.41 91.21 3.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.68 179.8 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 568' ' ' MET . . . . . . . . . . . . . 3.9 mtt -129.34 133.24 47.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.168 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 569' ' ' CYS . . . . . 0.422 ' HA ' HD22 ' A' ' 584' ' ' LEU . 7.4 p -66.81 146.13 54.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.111 179.478 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 77.6 p -73.13 -28.02 62.02 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.641 -179.182 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 571' ' ' TRP . . . . . 0.44 ' CE3' ' HD3' ' A' ' 588' ' ' LYS . 2.8 m-90 -56.39 103.83 0.12 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.818 0.342 . . . . 0.0 110.941 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 48.9 m -60.35 -46.27 90.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.905 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 573' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -59.29 -27.74 66.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 574' ' ' CYS . . . . . 0.434 ' HB2' ' CE1' ' A' ' 591' ' ' HIS . 49.5 t -59.07 -50.21 74.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.993 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . 53.71 59.85 9.16 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.406 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 576' ' ' LYS . . . . . 0.407 ' HD3' ' CZ ' ' A' ' 578' ' ' PHE . 1.0 OUTLIER -155.44 126.66 7.17 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-O 120.873 0.368 . . . . 0.0 110.96 -179.826 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.51 163.57 15.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.739 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 578' ' ' PHE . . . . . 0.407 ' CZ ' ' HD3' ' A' ' 576' ' ' LYS . 25.3 m-85 -134.27 163.76 28.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.17 -179.677 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 579' ' ' THR . . . . . . . . . . . . . 14.1 m -111.62 -15.65 13.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.303 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 580' ' ' ARG . . . . . . . . . . . . . 17.1 mmt180 -127.57 137.15 52.51 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.872 0.368 . . . . 0.0 110.789 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 581' ' ' SER . . . . . 0.43 ' HA ' HD12 ' A' ' 584' ' ' LEU . 94.2 p -62.97 -38.88 92.88 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.65 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -55.81 -36.84 67.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.456 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 583' ' ' GLU . . . . . 0.545 ' O ' ' HB3' ' A' ' 587' ' ' HIS . 3.0 tp10 -55.35 -55.42 31.75 Favored 'General case' 0 CA--C 1.511 -0.525 0 CA-C-O 120.884 0.373 . . . . 0.0 111.029 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 584' ' ' LEU . . . . . 0.49 ' O ' ' HB2' ' A' ' 588' ' ' LYS . 1.3 mt -56.39 -36.92 69.43 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.54 -179.446 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 585' ' ' GLN . . . . . . . . . . . . . 26.2 mm-40 -59.4 -56.36 23.01 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.06 0.457 . . . . 0.0 109.969 179.441 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 586' ' ' ARG . . . . . 0.488 ' HG3' ' N ' ' A' ' 587' ' ' HIS . 9.9 ptm180 -72.68 -42.21 64.53 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.658 -0.701 . . . . 0.0 112.46 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 587' ' ' HIS . . . . . 0.545 ' HB3' ' O ' ' A' ' 583' ' ' GLU . 0.1 OUTLIER -64.47 -50.39 67.67 Favored 'General case' 0 CA--C 1.522 -0.127 0 N-CA-C 109.735 -0.468 . . . . 0.0 109.735 -179.425 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 588' ' ' LYS . . . . . 0.49 ' HB2' ' O ' ' A' ' 584' ' ' LEU . 7.4 mttp -62.57 -28.41 69.86 Favored 'General case' 0 N--CA 1.454 -0.267 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 178.145 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 589' ' ' ARG . . . . . 0.441 ' HB2' ' HA ' ' A' ' 586' ' ' ARG . 0.0 OUTLIER -48.22 -27.48 2.47 Favored 'General case' 0 C--O 1.231 0.119 0 CA-C-N 115.295 -0.866 . . . . 0.0 111.348 179.764 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 590' ' ' THR . . . . . . . . . . . . . 9.8 t -127.34 23.87 6.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.494 -179.582 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 591' ' ' HIS . . . . . 0.434 ' CE1' ' HB2' ' A' ' 574' ' ' CYS . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.32 0 CA-C-O 120.779 0.323 . . . . 0.0 110.741 179.817 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 566' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo . . . . . 0 C--O 1.231 0.164 0 CA-C-O 120.906 0.294 . . . . 0.0 112.442 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 567' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -129.24 111.07 12.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.63 179.682 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 568' ' ' MET . . . . . . . . . . . . . 2.2 ttp -132.91 126.93 33.21 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.069 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 569' ' ' CYS . . . . . 0.493 ' CA ' HD22 ' A' ' 584' ' ' LEU . 8.5 p -62.26 146.52 50.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.254 179.598 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 36.7 p -73.09 -20.46 60.95 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.727 -179.257 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 571' ' ' TRP . . . . . 0.449 ' CE2' ' HB3' ' A' ' 591' ' ' HIS . 1.2 m-90 -56.48 152.24 11.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.792 0.33 . . . . 0.0 110.936 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -101.52 -32.51 10.35 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.612 -179.347 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 573' ' ' TYR . . . . . . . . . . . . . 50.6 p90 -94.82 26.67 3.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.727 0.299 . . . . 0.0 111.419 -179.734 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 574' ' ' CYS . . . . . 0.409 ' HB2' ' CE1' ' A' ' 591' ' ' HIS . 53.9 t -101.65 -50.23 3.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.839 0.352 . . . . 0.0 110.63 179.637 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . 51.96 52.63 34.13 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.966 -0.635 . . . . 0.0 112.781 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 576' ' ' LYS . . . . . . . . . . . . . 2.2 mtpp -145.98 129.66 17.08 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-O 120.84 0.352 . . . . 0.0 111.058 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 5.5 mtt85 -89.52 163.46 15.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.532 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 578' ' ' PHE . . . . . 0.588 ' CD1' HD21 ' A' ' 584' ' ' LEU . 49.8 m-85 -135.54 163.7 29.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.982 0.42 . . . . 0.0 111.303 -179.575 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 579' ' ' THR . . . . . . . . . . . . . 29.7 m -113.62 -15.55 12.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.154 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 580' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -129.23 137.08 50.89 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.779 0.323 . . . . 0.0 110.73 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 581' ' ' SER . . . . . 0.444 ' O ' ' NE2' ' A' ' 585' ' ' GLN . 0.0 OUTLIER -62.95 -43.95 97.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.8 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 582' ' ' ASP . . . . . 0.428 ' HA ' ' NE2' ' A' ' 585' ' ' GLN . 0.4 OUTLIER -52.63 -35.63 55.06 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.215 -179.804 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 583' ' ' GLU . . . . . 0.5 ' O ' ' HB3' ' A' ' 587' ' ' HIS . 3.1 tp10 -55.33 -55.33 32.78 Favored 'General case' 0 CA--C 1.511 -0.529 0 CA-C-O 120.904 0.383 . . . . 0.0 110.956 179.81 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 584' ' ' LEU . . . . . 0.588 HD21 ' CD1' ' A' ' 578' ' ' PHE . 13.0 mt -55.68 -39.36 70.89 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.481 -179.391 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 585' ' ' GLN . . . . . 0.444 ' NE2' ' O ' ' A' ' 581' ' ' SER . 0.0 OUTLIER -56.59 -55.64 31.37 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.18 0.514 . . . . 0.0 109.844 179.562 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 586' ' ' ARG . . . . . 0.453 ' HA ' ' HB2' ' A' ' 589' ' ' ARG . 13.3 mtt180 -72.57 -45.83 57.32 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.543 -0.753 . . . . 0.0 112.223 179.77 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 587' ' ' HIS . . . . . 0.5 ' HB3' ' O ' ' A' ' 583' ' ' GLU . 0.1 OUTLIER -60.73 -50.53 73.1 Favored 'General case' 0 CA--C 1.521 -0.171 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 -179.506 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 588' ' ' LYS . . . . . 0.495 ' HB2' ' O ' ' A' ' 584' ' ' LEU . 4.1 mttp -60.73 -28.46 68.69 Favored 'General case' 0 N--CA 1.452 -0.325 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 178.007 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 589' ' ' ARG . . . . . 0.453 ' HB2' ' HA ' ' A' ' 586' ' ' ARG . 0.3 OUTLIER -55.22 -31.51 61.54 Favored 'General case' 0 N--CA 1.457 -0.118 0 CA-C-N 115.294 -0.866 . . . . 0.0 111.035 179.552 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 590' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -111.42 9.22 21.43 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.474 -179.789 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 591' ' ' HIS . . . . . 0.466 ' HB2' ' HA ' ' A' ' 588' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.256 0 CA-C-O 120.792 0.33 . . . . 0.0 110.927 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 566' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo . . . . . 0 C--O 1.231 0.173 0 CA-C-O 120.874 0.281 . . . . 0.0 112.551 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 567' ' ' PHE . . . . . 0.404 ' CE2' ' HB2' ' A' ' 581' ' ' SER . 8.1 m-85 -123.39 90.91 3.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.458 179.666 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 568' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -82.28 123.11 28.76 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.466 -179.448 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 569' ' ' CYS . . . . . 0.712 ' HA ' HD23 ' A' ' 584' ' ' LEU . 11.9 p -64.59 152.09 42.98 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 178.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 32.7 p -73.02 -18.6 61.32 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 111.814 0.301 . . . . 0.0 111.814 -178.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 571' ' ' TRP . . . . . 0.449 ' CZ3' ' HB2' ' A' ' 588' ' ' LYS . 2.7 m-90 -63.86 98.02 0.18 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.855 0.359 . . . . 0.0 110.658 179.568 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -53.99 -46.86 71.85 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.249 -179.768 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 573' ' ' TYR . . . . . . . . . . . . . 36.6 m-85 -55.7 -22.92 25.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.109 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 574' ' ' CYS . . . . . 0.429 ' HB2' ' CE1' ' A' ' 591' ' ' HIS . 37.1 t -79.3 -50.22 11.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.041 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . 52.41 27.57 25.7 Favored Glycine 0 C--N 1.331 0.284 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.524 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 576' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -102.92 160.19 14.83 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-O 120.891 0.377 . . . . 0.0 111.186 -179.638 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 3.0 mtm180 -114.24 163.49 15.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.542 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 578' ' ' PHE . . . . . 0.713 ' HB2' HD11 ' A' ' 584' ' ' LEU . 82.0 m-85 -141.58 163.69 32.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.977 0.418 . . . . 0.0 111.384 -179.745 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 579' ' ' THR . . . . . . . . . . . . . 6.5 m -106.29 -11.45 16.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.15 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 580' ' ' ARG . . . . . . . . . . . . . 21.5 mmt85 -137.82 145.53 42.39 Favored 'General case' 0 N--CA 1.456 -0.152 0 CA-C-O 120.903 0.382 . . . . 0.0 110.923 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 581' ' ' SER . . . . . 0.426 ' O ' ' NE2' ' A' ' 585' ' ' GLN . 0.8 OUTLIER -68.49 -43.09 77.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.759 179.921 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 582' ' ' ASP . . . . . 0.432 ' HA ' ' NE2' ' A' ' 585' ' ' GLN . 0.8 OUTLIER -52.71 -34.86 54.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.149 -179.852 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 583' ' ' GLU . . . . . 0.532 ' O ' ' HB3' ' A' ' 587' ' ' HIS . 4.1 tp10 -55.76 -55.26 34.43 Favored 'General case' 0 CA--C 1.511 -0.533 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.822 179.68 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 584' ' ' LEU . . . . . 0.713 HD11 ' HB2' ' A' ' 578' ' ' PHE . 7.4 mp -54.87 -39.46 68.69 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.358 -179.514 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 585' ' ' GLN . . . . . 0.432 ' NE2' ' HA ' ' A' ' 582' ' ' ASP . 0.0 OUTLIER -57.69 -56.24 24.46 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.195 0.522 . . . . 0.0 110.091 179.553 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 586' ' ' ARG . . . . . 0.45 ' HA ' ' HB2' ' A' ' 589' ' ' ARG . 2.0 mtm180 -72.57 -42.61 64.45 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.486 -0.779 . . . . 0.0 112.272 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 587' ' ' HIS . . . . . 0.532 ' HB3' ' O ' ' A' ' 583' ' ' GLU . 0.1 OUTLIER -64.23 -49.24 72.71 Favored 'General case' 0 CA--C 1.521 -0.17 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 -179.575 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 588' ' ' LYS . . . . . 0.452 ' CG ' ' O ' ' A' ' 584' ' ' LEU . 0.0 OUTLIER -62.23 -29.82 70.66 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 178.088 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 589' ' ' ARG . . . . . 0.45 ' HB2' ' HA ' ' A' ' 586' ' ' ARG . 0.1 OUTLIER -49.14 -29.86 5.93 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-N 114.781 -1.099 . . . . 0.0 111.165 179.571 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 590' ' ' THR . . . . . . . . . . . . . 5.3 t -125.86 36.42 4.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.822 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 591' ' ' HIS . . . . . 0.438 ' HB2' ' HA ' ' A' ' 588' ' ' LYS . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.899 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 566' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo . . . . . 0 N--CA 1.463 -0.278 0 N-CA-C 112.899 0.307 . . . . 0.0 112.899 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 567' ' ' PHE . . . . . 0.725 ' HB3' HD11 ' A' ' 584' ' ' LEU . 45.2 m-85 -129.4 102.92 6.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.686 179.667 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 568' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -134.45 119.11 18.13 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.149 -179.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 569' ' ' CYS . . . . . . . . . . . . . 4.1 p -60.44 137.14 58.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.1 179.514 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 72.8 p -72.96 -13.06 61.17 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 111.877 0.325 . . . . 0.0 111.877 -178.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 571' ' ' TRP . . . . . 0.431 ' CE2' ' HB3' ' A' ' 591' ' ' HIS . 4.9 m-90 -65.06 101.89 0.57 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.818 0.342 . . . . 0.0 110.848 179.819 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -57.38 -46.87 82.94 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.047 -179.821 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 573' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -55.95 -23.49 32.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.974 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 574' ' ' CYS . . . . . 0.447 ' HB2' ' CE1' ' A' ' 591' ' ' HIS . 35.6 t -74.26 -50.27 19.72 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.048 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . 52.45 57.08 14.64 Favored Glycine 0 C--N 1.33 0.238 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.477 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 576' ' ' LYS . . . . . . . . . . . . . 15.0 mttp -145.4 147.79 32.64 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-O 120.865 0.364 . . . . 0.0 111.077 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 29.6 mtt180 -102.21 163.49 12.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.603 179.706 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 578' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -138.88 160.22 40.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.928 0.394 . . . . 0.0 111.285 -179.719 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 579' ' ' THR . . . . . . . . . . . . . 60.4 m -116.55 -7.89 11.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.154 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 580' ' ' ARG . . . . . 0.459 ' HD2' ' N ' ' A' ' 580' ' ' ARG . 2.9 mpt_? -128.77 136.96 51.26 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-O 120.73 0.3 . . . . 0.0 110.69 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 581' ' ' SER . . . . . 0.444 ' O ' ' NE2' ' A' ' 585' ' ' GLN . 10.0 t -64.86 -47.56 77.46 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.749 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -52.7 -33.29 47.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.255 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 583' ' ' GLU . . . . . 0.653 ' O ' ' HB3' ' A' ' 587' ' ' HIS . 3.4 tt0 -55.04 -55.51 30.11 Favored 'General case' 0 CA--C 1.512 -0.503 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.197 -179.821 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 584' ' ' LEU . . . . . 0.725 HD11 ' HB3' ' A' ' 567' ' ' PHE . 1.7 mt -59.93 -35.13 74.25 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.636 -179.061 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 585' ' ' GLN . . . . . 0.444 ' NE2' ' O ' ' A' ' 581' ' ' SER . 0.1 OUTLIER -61.37 -56.52 19.41 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.519 -0.472 . . . . 0.0 109.953 179.724 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 586' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.84 -41.04 65.22 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.694 -0.685 . . . . 0.0 112.41 179.755 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 587' ' ' HIS . . . . . 0.653 ' HB3' ' O ' ' A' ' 583' ' ' GLU . 0.2 OUTLIER -65.25 -48.21 74.04 Favored 'General case' 0 C--O 1.231 0.114 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 -179.596 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 588' ' ' LYS . . . . . 0.441 ' HB2' ' O ' ' A' ' 584' ' ' LEU . 78.3 mttt -61.44 -28.67 69.43 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 108.933 -0.765 . . . . 0.0 108.933 178.104 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 589' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -49.23 -27.59 3.84 Favored 'General case' 0 N--CA 1.458 -0.074 0 CA-C-N 115.309 -0.86 . . . . 0.0 111.286 179.791 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 590' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -103.23 -17.98 15.1 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.26 -179.825 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 591' ' ' HIS . . . . . 0.447 ' CE1' ' HB2' ' A' ' 574' ' ' CYS . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.948 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 566' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo . . . . . 0 N--CA 1.463 -0.316 0 CA-C-O 120.746 0.227 . . . . 0.0 112.597 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 567' ' ' PHE . . . . . 0.762 ' HB3' HD11 ' A' ' 584' ' ' LEU . 23.7 m-85 -129.41 100.51 5.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.743 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 568' ' ' MET . . . . . 0.417 ' HG2' HG23 ' A' ' 570' ' ' THR . 25.4 ttt -147.36 95.78 2.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.491 -179.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 569' ' ' CYS . . . . . . . . . . . . . 27.5 t -77.17 81.2 3.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.176 179.381 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 570' ' ' THR . . . . . 0.417 HG23 ' HG2' ' A' ' 568' ' ' MET . 24.0 p -73.28 -23.31 60.29 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.669 -179.392 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 571' ' ' TRP . . . . . 0.472 ' CZ3' ' HE2' ' A' ' 588' ' ' LYS . 0.3 OUTLIER 39.45 -162.74 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 120.754 0.312 . . . . 0.0 111.691 -179.848 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 75.5 m -73.05 -24.32 60.68 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.823 0.344 . . . . 0.0 110.628 179.529 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 573' ' ' TYR . . . . . . . . . . . . . 49.9 p90 -172.84 38.35 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.994 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 574' ' ' CYS . . . . . 0.427 ' HB2' ' HB2' ' A' ' 571' ' ' TRP . 33.9 t -78.49 -50.16 12.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.835 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . 56.4 79.93 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.441 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 576' ' ' LYS . . . . . . . . . . . . . 7.9 mttm -168.46 143.63 3.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.854 0.359 . . . . 0.0 110.814 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 2.6 mtt85 -109.13 159.19 17.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.89 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 578' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -136.61 163.66 30.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.159 -179.727 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 579' ' ' THR . . . . . . . . . . . . . 7.4 m -118.31 -8.38 10.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.267 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 580' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -131.21 137.09 48.78 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.811 0.339 . . . . 0.0 110.781 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 581' ' ' SER . . . . . 0.445 ' HB3' ' CE1' ' A' ' 567' ' ' PHE . 12.6 p -62.73 -41.63 99.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.813 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -54.04 -36.37 62.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.309 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 583' ' ' GLU . . . . . 0.599 ' O ' ' HB3' ' A' ' 587' ' ' HIS . 4.8 tt0 -55.24 -55.08 35.36 Favored 'General case' 0 CA--C 1.513 -0.46 0 CA-C-O 120.847 0.356 . . . . 0.0 111.071 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 584' ' ' LEU . . . . . 0.762 HD11 ' HB3' ' A' ' 567' ' ' PHE . 5.3 mt -57.97 -35.3 70.98 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.717 -179.31 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 585' ' ' GLN . . . . . . . . . . . . . 26.1 mm-40 -62.18 -56.76 15.56 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 120.404 -0.518 . . . . 0.0 110.009 179.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 586' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.04 -39.44 65.93 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.909 0.707 . . . . 0.0 112.909 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 587' ' ' HIS . . . . . 0.599 ' HB3' ' O ' ' A' ' 583' ' ' GLU . 0.6 OUTLIER -67.75 -49.84 60.41 Favored 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 -179.389 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 588' ' ' LYS . . . . . 0.472 ' HE2' ' CZ3' ' A' ' 571' ' ' TRP . 93.9 mttt -60.74 -28.44 68.69 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 108.731 -0.841 . . . . 0.0 108.731 177.787 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 589' ' ' ARG . . . . . . . . . . . . . 2.9 tpt180 -50.28 -30.11 11.14 Favored 'General case' 0 C--O 1.231 0.081 0 CA-C-N 115.173 -0.921 . . . . 0.0 111.201 179.551 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 590' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -97.5 -21.25 17.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.267 -179.624 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 591' ' ' HIS . . . . . 0.451 ' NE2' ' CE1' ' A' ' 587' ' ' HIS . 1.0 OUTLIER . . . . . 0 C--N 1.327 -0.406 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.883 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 566' ' ' PRO . . . . . 0.414 ' HD2' ' CE2' ' A' ' 567' ' ' PHE . 84.2 Cg_endo . . . . . 0 N--CA 1.464 -0.256 0 CA-C-O 120.721 0.217 . . . . 0.0 112.633 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 567' ' ' PHE . . . . . 0.622 ' HB3' HD11 ' A' ' 584' ' ' LEU . 18.8 m-85 -129.27 110.22 11.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.875 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 568' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -147.21 123.85 11.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.031 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 569' ' ' CYS . . . . . 0.458 ' N ' ' CD2' ' A' ' 584' ' ' LEU . 7.7 p -58.91 149.2 27.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.328 179.769 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 52.8 p -91.77 21.04 5.06 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 111.791 0.293 . . . . 0.0 111.791 -179.358 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 571' ' ' TRP . . . . . 0.472 ' CH2' ' HB2' ' A' ' 588' ' ' LYS . 4.7 m-90 -89.11 108.21 19.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.796 0.331 . . . . 0.0 110.807 179.644 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 31.5 t -54.13 -46.9 72.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.136 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 573' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -60.07 -24.45 64.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.887 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 574' ' ' CYS . . . . . 0.44 ' HB2' ' CE1' ' A' ' 591' ' ' HIS . 8.6 t -84.51 -50.4 7.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.997 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . 47.72 27.47 4.65 Favored Glycine 0 C--N 1.331 0.286 0 C-N-CA 120.919 -0.657 . . . . 0.0 112.936 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 576' ' ' LYS . . . . . . . . . . . . . 38.3 mttm -100.37 -179.87 4.24 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-O 120.933 0.397 . . . . 0.0 111.24 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 53.5 mtt180 -136.83 163.48 30.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.654 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 578' ' ' PHE . . . . . 0.445 ' CZ ' ' HG2' ' A' ' 583' ' ' GLU . 3.4 m-85 -144.6 164.07 32.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.024 0.44 . . . . 0.0 111.358 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 579' ' ' THR . . . . . . . . . . . . . 32.5 m -107.96 -6.83 16.41 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.258 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 580' ' ' ARG . . . . . . . . . . . . . 5.1 mmm180 -133.12 137.11 46.18 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.907 0.384 . . . . 0.0 110.987 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 581' ' ' SER . . . . . 0.553 ' HA ' HD12 ' A' ' 584' ' ' LEU . 5.5 p -62.74 -37.02 84.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.831 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -58.23 -34.92 70.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.419 -179.752 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 583' ' ' GLU . . . . . 0.622 ' O ' ' HB3' ' A' ' 587' ' ' HIS . 3.5 tt0 -55.18 -55.42 31.43 Favored 'General case' 0 CA--C 1.51 -0.588 0 CA-C-O 120.848 0.356 . . . . 0.0 110.95 -179.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 584' ' ' LEU . . . . . 0.622 HD11 ' HB3' ' A' ' 567' ' ' PHE . 0.3 OUTLIER -57.01 -38.28 72.89 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.684 -179.154 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 585' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 -59.64 -56.4 22.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.13 0.49 . . . . 0.0 110.244 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 586' ' ' ARG . . . . . 0.443 ' O ' ' HB2' ' A' ' 589' ' ' ARG . 4.0 ptt180 -72.73 -41.02 65.64 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.678 -0.692 . . . . 0.0 112.467 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 587' ' ' HIS . . . . . 0.622 ' HB3' ' O ' ' A' ' 583' ' ' GLU . 0.2 OUTLIER -64.8 -42.29 95.15 Favored 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 109.419 -0.585 . . . . 0.0 109.419 -179.522 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 588' ' ' LYS . . . . . 0.494 ' HG2' ' O ' ' A' ' 584' ' ' LEU . 10.6 ptpt -63.97 -32.86 74.54 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 178.205 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 589' ' ' ARG . . . . . 0.443 ' HB2' ' O ' ' A' ' 586' ' ' ARG . 0.0 OUTLIER -48.4 -27.55 2.68 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-N 114.776 -1.102 . . . . 0.0 111.091 179.735 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 590' ' ' THR . . . . . . . . . . . . . 3.8 t -123.05 37.37 4.43 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.816 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 591' ' ' HIS . . . . . 0.44 ' CE1' ' HB2' ' A' ' 574' ' ' CYS . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.835 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 566' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_endo . . . . . 0 N--CA 1.463 -0.315 0 CA-C-O 120.775 0.239 . . . . 0.0 112.635 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 567' ' ' PHE . . . . . 0.443 ' HB3' ' CD2' ' A' ' 584' ' ' LEU . 24.6 m-85 -129.4 110.19 11.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.802 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 568' ' ' MET . . . . . . . . . . . . . 7.0 ptt? -147.5 97.31 2.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.733 0.301 . . . . 0.0 111.468 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 569' ' ' CYS . . . . . . . . . . . . . 15.0 t -71.69 80.97 0.85 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.882 0.372 . . . . 0.0 110.136 179.341 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 70.2 p -73.27 -23.05 60.26 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.595 -179.504 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 571' ' ' TRP . . . . . 0.528 ' CZ2' ' HB2' ' A' ' 588' ' ' LYS . 0.2 OUTLIER 40.94 -163.15 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 120.788 0.328 . . . . 0.0 111.44 -179.842 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 1.7 m -71.8 -24.32 61.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.811 0.338 . . . . 0.0 110.7 179.509 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 573' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -172.33 38.78 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.896 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 574' ' ' CYS . . . . . 0.438 ' CB ' ' HB2' ' A' ' 571' ' ' TRP . 26.5 t -80.46 -50.09 10.54 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.908 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . 56.28 76.27 0.21 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.284 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 576' ' ' LYS . . . . . . . . . . . . . 7.7 tttm -164.93 147.35 8.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.777 0.323 . . . . 0.0 110.906 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 3.5 mtt180 -108.77 163.51 13.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.93 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 578' ' ' PHE . . . . . . . . . . . . . 45.8 m-85 -142.27 163.64 32.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.959 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 579' ' ' THR . . . . . . . . . . . . . 30.8 m -112.15 -9.08 13.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.378 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 580' ' ' ARG . . . . . . . . . . . . . 23.8 mmt85 -131.12 137.08 48.9 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.96 0.409 . . . . 0.0 111.01 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 581' ' ' SER . . . . . 0.428 ' HB3' ' CE1' ' A' ' 567' ' ' PHE . 15.7 p -67.73 -22.44 65.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.083 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 582' ' ' ASP . . . . . 0.444 ' HA ' ' HG2' ' A' ' 585' ' ' GLN . 1.5 m-20 -75.24 -33.46 61.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.345 -179.62 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 583' ' ' GLU . . . . . 0.522 ' O ' ' HB3' ' A' ' 587' ' ' HIS . 2.5 tt0 -55.05 -55.59 29.26 Favored 'General case' 0 CA--C 1.51 -0.58 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.202 -179.618 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 584' ' ' LEU . . . . . 0.722 HD12 ' NE2' ' A' ' 585' ' ' GLN . 0.0 OUTLIER -55.31 -33.17 63.07 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.217 -179.618 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 585' ' ' GLN . . . . . 0.722 ' NE2' HD12 ' A' ' 584' ' ' LEU . 16.7 mm-40 -61.63 -56.9 14.81 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.49 -0.484 . . . . 0.0 110.026 179.384 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 586' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.41 -40.3 64.39 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.128 -0.487 . . . . 0.0 112.252 179.784 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 587' ' ' HIS . . . . . 0.522 ' HB3' ' O ' ' A' ' 583' ' ' GLU . 0.2 OUTLIER -64.64 -45.49 86.58 Favored 'General case' 0 C--N 1.332 -0.167 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 -179.608 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 588' ' ' LYS . . . . . 0.528 ' HB2' ' CZ2' ' A' ' 571' ' ' TRP . 0.0 OUTLIER -61.51 -31.16 71.15 Favored 'General case' 0 N--CA 1.455 -0.2 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 177.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 589' ' ' ARG . . . . . 0.458 ' N ' ' HG3' ' A' ' 588' ' ' LYS . 0.0 OUTLIER -51.29 -30.68 18.81 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 114.711 -1.132 . . . . 0.0 111.0 179.611 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 590' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -112.69 30.65 6.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.81 -179.838 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 591' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.03 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 566' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo . . . . . 0 C--O 1.231 0.159 0 CA-C-O 120.836 0.265 . . . . 0.0 112.58 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 567' ' ' PHE . . . . . . . . . . . . . 52.4 m-85 -125.9 121.51 33.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.885 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 568' ' ' MET . . . . . 0.574 ' N ' HD11 ' A' ' 584' ' ' LEU . 0.0 OUTLIER -147.2 140.18 25.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.911 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 569' ' ' CYS . . . . . 0.579 ' CA ' HD22 ' A' ' 584' ' ' LEU . 1.8 p -56.83 -170.45 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.518 179.75 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 66.6 p -129.81 0.02 4.83 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.223 0.453 . . . . 0.0 112.223 -179.478 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 571' ' ' TRP . . . . . 0.452 ' CZ2' ' HB3' ' A' ' 591' ' ' HIS . 0.8 OUTLIER -51.08 177.82 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.812 0.339 . . . . 0.0 111.219 -179.951 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -83.49 -46.95 11.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.606 -179.386 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 573' ' ' TYR . . . . . . . . . . . . . 18.0 t80 -135.21 70.45 1.44 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.898 0.38 . . . . 0.0 111.287 -179.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 574' ' ' CYS . . . . . . . . . . . . . 41.8 t -101.74 -50.32 3.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 179.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . 53.92 57.34 16.71 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.853 -0.689 . . . . 0.0 112.554 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 576' ' ' LYS . . . . . . . . . . . . . 66.9 tttt -152.34 107.65 3.28 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-O 120.826 0.346 . . . . 0.0 111.064 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 577' ' ' ARG . . . . . 0.409 ' O ' ' CD1' ' A' ' 578' ' ' PHE . 6.6 mtt-85 -92.41 158.63 15.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.738 179.823 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 578' ' ' PHE . . . . . 0.53 ' CD2' ' HB3' ' A' ' 583' ' ' GLU . 22.9 m-85 -135.75 164.1 28.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.029 0.443 . . . . 0.0 111.24 -179.86 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 579' ' ' THR . . . . . . . . . . . . . 16.5 m -97.4 -7.49 31.65 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.385 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 580' ' ' ARG . . . . . 0.425 ' HD2' ' N ' ' A' ' 580' ' ' ARG . 3.9 mpt_? -132.51 137.07 47.04 Favored 'General case' 0 N--CA 1.456 -0.143 0 CA-C-O 120.807 0.336 . . . . 0.0 111.03 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 581' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -62.71 -33.81 75.88 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.454 179.683 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -56.29 -37.77 70.31 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.125 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 583' ' ' GLU . . . . . 0.533 ' O ' ' HB3' ' A' ' 587' ' ' HIS . 4.6 tp10 -55.35 -55.63 29.39 Favored 'General case' 0 CA--C 1.508 -0.642 0 CA-C-O 121.028 0.442 . . . . 0.0 110.766 179.741 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 584' ' ' LEU . . . . . 0.579 HD22 ' CA ' ' A' ' 569' ' ' CYS . 83.2 mt -55.07 -34.9 64.0 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.774 -179.241 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 585' ' ' GLN . . . . . . . . . . . . . 25.6 mm-40 -63.12 -56.61 15.32 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.472 -0.491 . . . . 0.0 110.028 179.591 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 586' ' ' ARG . . . . . 0.511 ' O ' ' HB2' ' A' ' 589' ' ' ARG . 0.0 OUTLIER -72.83 -39.62 66.45 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.635 -0.711 . . . . 0.0 112.421 -179.929 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 587' ' ' HIS . . . . . 0.533 ' HB3' ' O ' ' A' ' 583' ' ' GLU . 0.0 OUTLIER -64.17 -36.89 85.54 Favored 'General case' 0 CA--C 1.518 -0.264 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 -179.813 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 588' ' ' LYS . . . . . 0.425 ' HB2' ' O ' ' A' ' 584' ' ' LEU . 29.4 mttt -68.49 -29.49 68.11 Favored 'General case' 0 N--CA 1.448 -0.538 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 177.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 589' ' ' ARG . . . . . 0.511 ' HB2' ' O ' ' A' ' 586' ' ' ARG . 18.6 mmt85 -65.08 -27.91 69.09 Favored 'General case' 0 N--CA 1.456 -0.138 0 CA-C-N 115.375 -0.83 . . . . 0.0 110.861 179.809 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 590' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -105.2 -5.27 20.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.249 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 591' ' ' HIS . . . . . 0.452 ' HB3' ' CZ2' ' A' ' 571' ' ' TRP . 0.2 OUTLIER . . . . . 0 C--N 1.332 -0.156 0 CA-C-O 120.779 0.323 . . . . 0.0 110.978 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 566' ' ' PRO . . . . . 0.422 ' HD2' ' CE2' ' A' ' 567' ' ' PHE . 84.5 Cg_endo . . . . . 0 N--CA 1.464 -0.245 0 N-CA-C 112.789 0.265 . . . . 0.0 112.789 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 567' ' ' PHE . . . . . 0.422 ' CE2' ' HD2' ' A' ' 566' ' ' PRO . 17.6 m-85 -129.46 90.88 3.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.676 179.687 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 568' ' ' MET . . . . . 0.402 ' HB3' ' HG2' ' A' ' 577' ' ' ARG . 5.9 ptt? -136.34 130.57 33.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.005 -179.838 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 569' ' ' CYS . . . . . 0.457 ' HA ' HD23 ' A' ' 584' ' ' LEU . 0.1 OUTLIER -58.23 128.46 37.23 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.173 179.721 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 22.3 p -92.56 23.38 4.06 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 112.304 0.483 . . . . 0.0 112.304 -178.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 571' ' ' TRP . . . . . 0.499 ' CZ2' ' HB2' ' A' ' 588' ' ' LYS . 0.8 OUTLIER -52.45 176.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.809 0.337 . . . . 0.0 110.999 179.839 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 55.1 p -57.19 -46.88 82.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.031 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 573' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -167.42 83.51 0.22 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.81 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 574' ' ' CYS . . . . . . . . . . . . . 52.6 t -101.53 -50.23 3.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.916 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . 71.66 55.14 7.69 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.47 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 576' ' ' LYS . . . . . . . . . . . . . 4.7 mtmt -152.67 113.97 4.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.815 0.34 . . . . 0.0 110.883 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 577' ' ' ARG . . . . . 0.414 ' O ' ' CD1' ' A' ' 578' ' ' PHE . 29.5 mtt180 -89.54 159.21 17.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.854 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 578' ' ' PHE . . . . . 0.513 ' CD2' ' HB3' ' A' ' 583' ' ' GLU . 9.4 m-85 -141.73 164.04 31.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.147 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 579' ' ' THR . . . . . 0.406 ' O ' HG22 ' A' ' 579' ' ' THR . 60.0 m -104.07 -7.52 20.19 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.891 -179.462 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 580' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.68 146.13 32.08 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.947 0.403 . . . . 0.0 111.346 -179.652 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 581' ' ' SER . . . . . . . . . . . . . 3.6 m -62.49 -32.84 73.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.456 179.639 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.54 -38.5 63.86 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.894 179.774 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 583' ' ' GLU . . . . . 0.513 ' HB3' ' CD2' ' A' ' 578' ' ' PHE . 2.9 tp10 -55.3 -55.15 34.79 Favored 'General case' 0 CA--C 1.51 -0.593 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.647 179.488 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 584' ' ' LEU . . . . . 0.546 ' H ' HD12 ' A' ' 584' ' ' LEU . 6.0 mp -54.23 -37.0 64.12 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.426 -179.697 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 585' ' ' GLN . . . . . 0.427 ' O ' ' HG2' ' A' ' 588' ' ' LYS . 26.1 mm-40 -61.08 -56.38 21.59 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.182 0.515 . . . . 0.0 110.343 179.664 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 586' ' ' ARG . . . . . 0.412 ' O ' ' HB2' ' A' ' 589' ' ' ARG . 1.2 mtm180 -72.83 -38.28 67.18 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.722 -0.672 . . . . 0.0 112.322 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 587' ' ' HIS . . . . . 0.511 ' HB3' ' O ' ' A' ' 583' ' ' GLU . 0.2 OUTLIER -67.83 -51.86 43.61 Favored 'General case' 0 N--CA 1.455 -0.214 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 -179.652 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 588' ' ' LYS . . . . . 0.499 ' HB2' ' CZ2' ' A' ' 571' ' ' TRP . 41.3 pttt -56.65 -29.98 62.84 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 178.265 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 589' ' ' ARG . . . . . 0.412 ' HB2' ' O ' ' A' ' 586' ' ' ARG . 0.0 OUTLIER -45.97 -29.73 1.54 Allowed 'General case' 0 C--O 1.231 0.098 0 CA-C-N 114.853 -1.067 . . . . 0.0 110.858 179.523 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 590' ' ' THR . . . . . . . . . . . . . 8.7 t -124.32 42.07 3.34 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.667 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 591' ' ' HIS . . . . . 0.443 ' HB2' ' HA ' ' A' ' 588' ' ' LYS . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.124 -179.836 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 566' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo . . . . . 0 C--O 1.231 0.145 0 CA-C-O 120.863 0.276 . . . . 0.0 112.424 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 567' ' ' PHE . . . . . . . . . . . . . 77.2 m-85 -122.75 100.3 6.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.678 179.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 568' ' ' MET . . . . . . . . . . . . . 4.5 ttt -114.53 135.4 54.16 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.086 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 569' ' ' CYS . . . . . 0.483 ' HA ' HD23 ' A' ' 584' ' ' LEU . 11.4 p -59.27 140.82 55.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.151 179.605 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 35.4 p -73.47 -5.44 40.03 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.955 0.724 . . . . 0.0 112.955 -178.328 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 571' ' ' TRP . . . . . 0.506 ' CD1' ' CE1' ' A' ' 591' ' ' HIS . 0.6 OUTLIER -49.25 172.69 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 120.776 0.322 . . . . 0.0 111.204 -179.689 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -91.57 -47.06 7.61 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 112.057 0.391 . . . . 0.0 112.057 -178.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 573' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -132.71 66.4 1.56 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.811 0.338 . . . . 0.0 111.599 -179.366 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 574' ' ' CYS . . . . . . . . . . . . . 43.4 t -101.86 -50.36 3.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.663 179.457 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . 65.94 51.54 44.83 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.897 -0.668 . . . . 0.0 112.689 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 576' ' ' LYS . . . . . . . . . . . . . 10.9 mtpp -147.05 122.1 10.09 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-O 120.824 0.345 . . . . 0.0 111.035 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 11.6 mtt180 -89.49 163.55 15.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.738 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 578' ' ' PHE . . . . . 0.405 ' CE1' ' HB3' ' A' ' 569' ' ' CYS . 37.5 m-85 -139.65 163.76 31.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.969 0.414 . . . . 0.0 111.401 -179.386 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 579' ' ' THR . . . . . . . . . . . . . 28.6 m -113.68 -8.89 13.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.322 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 580' ' ' ARG . . . . . . . . . . . . . 57.6 mmm-85 -140.39 152.4 45.72 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.853 0.359 . . . . 0.0 110.894 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 581' ' ' SER . . . . . 0.434 ' HA ' ' CD1' ' A' ' 584' ' ' LEU . 2.7 p -72.59 -22.6 60.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.32 -179.849 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.12 -35.84 74.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.578 -179.456 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 583' ' ' GLU . . . . . 0.512 ' O ' ' HB3' ' A' ' 587' ' ' HIS . 4.7 tt0 -55.09 -54.96 36.52 Favored 'General case' 0 CA--C 1.511 -0.555 0 CA-C-O 120.806 0.336 . . . . 0.0 111.128 -179.766 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 584' ' ' LEU . . . . . 0.483 HD23 ' HA ' ' A' ' 569' ' ' CYS . 1.1 mp -54.2 -32.93 57.0 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.272 -179.419 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 585' ' ' GLN . . . . . 0.429 ' O ' ' HG3' ' A' ' 588' ' ' LYS . 20.0 mm-40 -64.02 -56.64 13.6 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.471 -0.492 . . . . 0.0 109.91 179.176 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 586' ' ' ARG . . . . . 0.439 ' HG2' ' O ' ' A' ' 583' ' ' GLU . 0.6 OUTLIER -73.02 -40.52 65.09 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.88 -0.6 . . . . 0.0 112.392 179.777 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 587' ' ' HIS . . . . . 0.512 ' HB3' ' O ' ' A' ' 583' ' ' GLU . 0.1 OUTLIER -62.73 -49.33 75.47 Favored 'General case' 0 CA--C 1.52 -0.194 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 -179.685 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 588' ' ' LYS . . . . . 0.447 ' HG3' ' N ' ' A' ' 589' ' ' ARG . 0.0 OUTLIER -58.63 -30.36 67.22 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 178.203 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 589' ' ' ARG . . . . . 0.447 ' N ' ' HG3' ' A' ' 588' ' ' LYS . 0.0 OUTLIER -55.44 -33.53 63.67 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 114.779 -1.1 . . . . 0.0 110.593 179.239 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 590' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -113.86 24.27 12.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.855 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 591' ' ' HIS . . . . . 0.506 ' CE1' ' CD1' ' A' ' 571' ' ' TRP . 0.9 OUTLIER . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.925 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 566' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo . . . . . 0 N--CA 1.463 -0.284 0 CA-C-O 120.735 0.223 . . . . 0.0 112.661 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 567' ' ' PHE . . . . . . . . . . . . . 34.0 m-85 -129.37 105.08 7.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.747 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 568' ' ' MET . . . . . . . . . . . . . 2.8 ptt? -143.08 125.04 15.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.138 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 569' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -57.05 128.55 37.52 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.001 179.628 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 25.2 p -90.28 17.45 7.15 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 112.703 0.631 . . . . 0.0 112.703 -178.336 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 571' ' ' TRP . . . . . 0.507 ' CZ2' ' HB2' ' A' ' 588' ' ' LYS . 0.8 OUTLIER -48.31 171.57 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.898 0.38 . . . . 0.0 111.426 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 11.2 m -54.73 -46.97 74.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.515 -179.556 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 573' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -164.38 82.01 0.4 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.93 0.395 . . . . 0.0 111.108 -179.795 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 574' ' ' CYS . . . . . . . . . . . . . 40.8 t -101.69 -50.21 3.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.649 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . 69.14 52.18 24.35 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.672 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 576' ' ' LYS . . . . . . . . . . . . . 4.3 mttt -149.77 122.36 8.57 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-O 120.824 0.345 . . . . 0.0 110.904 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -89.49 163.52 15.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.731 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 578' ' ' PHE . . . . . 0.482 ' HB2' HD11 ' A' ' 584' ' ' LEU . 51.4 m-85 -137.68 163.66 30.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.025 0.44 . . . . 0.0 111.428 -179.478 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 579' ' ' THR . . . . . . . . . . . . . 77.5 m -110.39 -14.34 14.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.064 179.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 580' ' ' ARG . . . . . . . . . . . . . 5.5 mtt180 -140.98 137.13 32.81 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.841 0.353 . . . . 0.0 110.658 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 581' ' ' SER . . . . . 0.477 ' O ' ' NE2' ' A' ' 585' ' ' GLN . 62.7 p -57.26 -36.95 71.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.026 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 582' ' ' ASP . . . . . 0.444 ' HA ' ' NE2' ' A' ' 585' ' ' GLN . 0.5 OUTLIER -52.57 -35.73 54.54 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.177 -179.742 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 583' ' ' GLU . . . . . 0.484 ' O ' ' HB3' ' A' ' 587' ' ' HIS . 2.8 tp10 -57.94 -55.16 38.56 Favored 'General case' 0 CA--C 1.51 -0.595 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.773 179.546 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 584' ' ' LEU . . . . . 0.482 HD11 ' HB2' ' A' ' 578' ' ' PHE . 7.2 mp -54.27 -34.23 60.37 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.146 -179.708 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 585' ' ' GLN . . . . . 0.477 ' NE2' ' O ' ' A' ' 581' ' ' SER . 0.0 OUTLIER -61.47 -56.78 16.4 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.569 -0.452 . . . . 0.0 110.046 179.297 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 586' ' ' ARG . . . . . 0.498 ' HG3' ' N ' ' A' ' 587' ' ' HIS . 0.6 OUTLIER -73.12 -41.11 64.37 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.902 -0.59 . . . . 0.0 112.362 179.699 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 587' ' ' HIS . . . . . 0.498 ' N ' ' HG3' ' A' ' 586' ' ' ARG . 0.2 OUTLIER -63.59 -51.63 64.5 Favored 'General case' 0 CA--C 1.519 -0.222 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 -179.553 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 588' ' ' LYS . . . . . 0.507 ' HB2' ' CZ2' ' A' ' 571' ' ' TRP . 0.0 OUTLIER -58.1 -30.77 66.53 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 178.272 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 589' ' ' ARG . . . . . 0.401 ' N ' ' HG3' ' A' ' 588' ' ' LYS . 0.0 OUTLIER -51.68 -30.43 21.92 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 114.876 -1.056 . . . . 0.0 110.751 179.369 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 590' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -113.91 26.38 10.38 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.848 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 591' ' ' HIS . . . . . 0.449 ' HB2' ' HA ' ' A' ' 588' ' ' LYS . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 566' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_endo . . . . . 0 N--CA 1.464 -0.249 0 N-CA-C 113.004 0.348 . . . . 0.0 113.004 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 567' ' ' PHE . . . . . 0.572 ' HB3' HD13 ' A' ' 584' ' ' LEU . 11.8 m-85 -129.58 103.69 7.02 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.393 179.443 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 568' ' ' MET . . . . . 0.42 ' HB3' ' O ' ' A' ' 576' ' ' LYS . 25.3 mtt -147.27 109.15 4.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.741 0.305 . . . . 0.0 111.611 -179.457 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 569' ' ' CYS . . . . . 0.458 ' N ' HD21 ' A' ' 584' ' ' LEU . 17.5 t -68.88 110.23 4.29 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.244 179.331 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 6.6 p -86.16 -30.98 22.04 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.185 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 571' ' ' TRP . . . . . 0.443 ' HB2' ' HB2' ' A' ' 574' ' ' CYS . 0.2 OUTLIER 39.94 -163.79 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.647 -179.941 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 35.8 p -63.15 -30.81 71.89 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.861 0.362 . . . . 0.0 110.678 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 573' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -171.64 35.04 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 574' ' ' CYS . . . . . 0.443 ' HB2' ' HB2' ' A' ' 571' ' ' TRP . 43.2 t -75.0 -50.32 16.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.636 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . 54.09 20.46 14.77 Favored Glycine 0 CA--C 1.519 0.293 0 C-N-CA 121.085 -0.578 . . . . 0.0 113.514 179.342 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 576' ' ' LYS . . . . . 0.42 ' O ' ' HB3' ' A' ' 568' ' ' MET . 12.3 mttt -80.63 -176.65 5.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 117.013 0.407 . . . . 0.0 110.655 179.785 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 73.3 mtt85 -153.42 155.08 35.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.716 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 578' ' ' PHE . . . . . 0.475 ' CD1' ' HG2' ' A' ' 583' ' ' GLU . 5.2 m-85 -148.99 163.8 36.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.99 0.424 . . . . 0.0 111.097 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 579' ' ' THR . . . . . . . . . . . . . 22.4 m -97.44 -8.09 30.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.503 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 580' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -140.58 137.08 33.44 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.872 0.368 . . . . 0.0 110.91 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 581' ' ' SER . . . . . 0.491 ' O ' ' NE2' ' A' ' 585' ' ' GLN . 0.3 OUTLIER -59.59 -35.45 74.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.816 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 582' ' ' ASP . . . . . 0.448 ' HA ' ' NE2' ' A' ' 585' ' ' GLN . 5.6 m-20 -52.48 -37.05 56.28 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.051 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 583' ' ' GLU . . . . . 0.533 ' O ' ' HB3' ' A' ' 587' ' ' HIS . 7.9 tp10 -57.36 -55.74 30.81 Favored 'General case' 0 CA--C 1.508 -0.64 0 CA-C-O 121.128 0.489 . . . . 0.0 110.573 179.35 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 584' ' ' LEU . . . . . 0.572 HD13 ' HB3' ' A' ' 567' ' ' PHE . 6.4 mp -55.3 -36.47 66.22 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.603 -179.442 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 585' ' ' GLN . . . . . 0.491 ' NE2' ' O ' ' A' ' 581' ' ' SER . 0.0 OUTLIER -60.3 -56.79 17.16 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.549 -0.46 . . . . 0.0 110.136 179.867 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 586' ' ' ARG . . . . . 0.543 ' O ' ' HB2' ' A' ' 589' ' ' ARG . 30.9 mtp180 -72.87 -40.07 65.93 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.72 -0.673 . . . . 0.0 112.192 179.819 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 587' ' ' HIS . . . . . 0.533 ' HB3' ' O ' ' A' ' 583' ' ' GLU . 0.1 OUTLIER -65.57 -37.53 86.93 Favored 'General case' 0 N--CA 1.455 -0.221 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 -179.766 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 588' ' ' LYS . . . . . 0.524 ' HE3' HD23 ' A' ' 584' ' ' LEU . 47.5 mttt -70.09 -30.36 67.56 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 108.52 -0.919 . . . . 0.0 108.52 177.384 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 589' ' ' ARG . . . . . 0.543 ' HB2' ' O ' ' A' ' 586' ' ' ARG . 15.9 mmt180 -60.86 -28.27 68.73 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 115.138 -0.937 . . . . 0.0 111.1 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 590' ' ' THR . . . . . 0.487 HG22 ' O ' ' A' ' 587' ' ' HIS . 10.9 t -99.36 -17.23 18.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.084 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 591' ' ' HIS . . . . . 0.446 ' NE2' ' CE1' ' A' ' 587' ' ' HIS . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.241 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.019 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 566' ' ' PRO . . . . . 0.405 ' HD2' ' CE2' ' A' ' 567' ' ' PHE . 97.4 Cg_endo . . . . . 0 N--CA 1.463 -0.305 0 N-CA-C 112.802 0.27 . . . . 0.0 112.802 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 567' ' ' PHE . . . . . 0.405 ' CE2' ' HD2' ' A' ' 566' ' ' PRO . 11.4 m-85 -129.34 96.21 4.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.825 0.345 . . . . 0.0 110.797 179.854 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 568' ' ' MET . . . . . . . . . . . . . 9.0 mtp -147.13 119.64 8.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.96 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 569' ' ' CYS . . . . . 0.412 ' N ' HD21 ' A' ' 584' ' ' LEU . 0.1 OUTLIER -61.54 123.91 19.18 Favored 'General case' 0 CA--C 1.531 0.245 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 179.625 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 10.9 p -94.46 37.02 1.13 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.817 -178.743 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 571' ' ' TRP . . . . . 0.465 ' CZ2' ' HB2' ' A' ' 588' ' ' LYS . 1.2 m-90 -63.54 168.59 4.55 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.821 0.343 . . . . 0.0 111.008 179.854 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -51.03 -47.02 61.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.542 -179.388 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 573' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -162.47 75.39 0.43 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.919 0.39 . . . . 0.0 110.981 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 574' ' ' CYS . . . . . . . . . . . . . 44.5 t -101.18 -48.18 4.49 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.642 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . 63.28 59.17 9.3 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.619 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 576' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -152.07 121.79 6.97 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-O 120.861 0.362 . . . . 0.0 110.851 179.766 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 3.3 mtt180 -89.55 163.55 15.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.777 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 578' ' ' PHE . . . . . 0.404 ' HB2' HD11 ' A' ' 584' ' ' LEU . 47.0 m-85 -141.34 163.73 32.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.376 -179.536 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 579' ' ' THR . . . . . . . . . . . . . 16.8 m -113.35 -12.4 13.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.087 179.774 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 580' ' ' ARG . . . . . . . . . . . . . 9.6 mmm180 -139.25 137.17 35.69 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.796 0.331 . . . . 0.0 110.723 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 581' ' ' SER . . . . . . . . . . . . . 18.5 p -58.76 -31.66 68.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.022 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.2 -38.93 74.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.228 -179.798 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 583' ' ' GLU . . . . . 0.538 ' O ' ' HB3' ' A' ' 587' ' ' HIS . 6.0 tp10 -55.32 -54.22 46.32 Favored 'General case' 0 CA--C 1.509 -0.622 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.904 179.797 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 584' ' ' LEU . . . . . 0.483 ' O ' ' HG2' ' A' ' 588' ' ' LYS . 6.8 mp -53.76 -33.32 55.42 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.235 -179.359 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 585' ' ' GLN . . . . . 0.432 ' O ' ' HG2' ' A' ' 588' ' ' LYS . 18.0 mm-40 -65.02 -56.47 12.9 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.07 0.462 . . . . 0.0 109.921 179.264 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 586' ' ' ARG . . . . . 0.432 ' O ' ' HB2' ' A' ' 589' ' ' ARG . 0.8 OUTLIER -72.96 -38.16 66.85 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.845 -0.616 . . . . 0.0 112.008 179.8 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 587' ' ' HIS . . . . . 0.538 ' HB3' ' O ' ' A' ' 583' ' ' GLU . 0.2 OUTLIER -65.5 -44.77 86.01 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 109.206 -0.664 . . . . 0.0 109.206 -179.68 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 588' ' ' LYS . . . . . 0.483 ' HG2' ' O ' ' A' ' 584' ' ' LEU . 0.3 OUTLIER -59.99 -32.03 70.47 Favored 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 178.371 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 589' ' ' ARG . . . . . 0.432 ' HB2' ' O ' ' A' ' 586' ' ' ARG . 0.3 OUTLIER -48.76 -27.47 2.97 Favored 'General case' 0 C--N 1.333 -0.112 0 CA-C-N 114.763 -1.108 . . . . 0.0 110.928 179.613 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 590' ' ' THR . . . . . 0.407 HG22 ' O ' ' A' ' 587' ' ' HIS . 9.5 t -114.93 28.93 8.38 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.688 179.743 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 591' ' ' HIS . . . . . 0.447 ' HB2' ' HA ' ' A' ' 588' ' ' LYS . 0.5 OUTLIER . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.84 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 566' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo . . . . . 0 C--O 1.232 0.182 0 CA-C-O 120.753 0.23 . . . . 0.0 112.595 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 567' ' ' PHE . . . . . 0.71 ' CD1' HD22 ' A' ' 584' ' ' LEU . 0.4 OUTLIER -106.3 155.5 19.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.336 179.571 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 568' ' ' MET . . . . . . . . . . . . . 5.1 ttt -147.37 100.55 3.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.786 0.327 . . . . 0.0 111.747 -179.589 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 569' ' ' CYS . . . . . . . . . . . . . 15.3 t -71.27 86.85 0.81 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.321 -0.4 . . . . 0.0 109.934 179.078 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -73.17 -26.12 61.06 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.533 -179.299 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 571' ' ' TRP . . . . . 0.515 ' CZ2' ' HB2' ' A' ' 588' ' ' LYS . 0.2 OUTLIER 40.66 -163.83 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 120.804 0.335 . . . . 0.0 111.603 -179.829 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 70.4 m -70.47 -24.79 62.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.82 0.343 . . . . 0.0 110.556 179.511 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 573' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -171.71 42.81 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.943 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 574' ' ' CYS . . . . . 0.425 ' CB ' ' HB2' ' A' ' 571' ' ' TRP . 51.5 t -91.83 -50.2 5.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.837 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . 56.35 20.47 29.71 Favored Glycine 0 CA--C 1.519 0.289 0 C-N-CA 120.919 -0.658 . . . . 0.0 113.058 179.677 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 576' ' ' LYS . . . . . 0.446 ' HD3' ' CZ ' ' A' ' 578' ' ' PHE . 34.7 ttmt -88.04 144.61 26.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.799 0.333 . . . . 0.0 110.881 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 16.0 mtt180 -114.46 141.15 48.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.064 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 578' ' ' PHE . . . . . 0.451 ' CE2' ' HG2' ' A' ' 583' ' ' GLU . 4.2 m-85 -131.43 163.97 26.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.978 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 579' ' ' THR . . . . . . . . . . . . . 14.5 m -108.44 -6.16 16.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.58 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 580' ' ' ARG . . . . . . . . . . . . . 1.3 mmm-85 -133.62 143.72 48.79 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.874 0.368 . . . . 0.0 111.088 -179.682 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 581' ' ' SER . . . . . 0.621 ' HA ' HD21 ' A' ' 584' ' ' LEU . 24.4 m -64.54 -43.98 92.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.56 179.677 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 582' ' ' ASP . . . . . 0.435 ' HA ' ' NE2' ' A' ' 585' ' ' GLN . 0.6 OUTLIER -52.96 -33.84 52.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.756 -179.799 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 583' ' ' GLU . . . . . 0.629 ' O ' ' HB3' ' A' ' 587' ' ' HIS . 2.2 tt0 -55.26 -56.06 24.35 Favored 'General case' 0 CA--C 1.51 -0.576 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.56 -179.316 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 584' ' ' LEU . . . . . 0.71 HD22 ' CD1' ' A' ' 567' ' ' PHE . 0.5 OUTLIER -62.49 -33.08 74.16 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.345 -179.206 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 585' ' ' GLN . . . . . 0.447 ' O ' ' HG2' ' A' ' 588' ' ' LYS . 0.0 OUTLIER -58.77 -56.7 18.78 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.157 0.503 . . . . 0.0 109.831 179.288 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 586' ' ' ARG . . . . . 0.421 ' O ' ' CB ' ' A' ' 589' ' ' ARG . 38.7 ptt85 -73.33 -44.7 58.42 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.794 -0.639 . . . . 0.0 112.075 179.514 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 587' ' ' HIS . . . . . 0.629 ' HB3' ' O ' ' A' ' 583' ' ' GLU . 0.2 OUTLIER -60.32 -52.04 66.95 Favored 'General case' 0 CA--C 1.522 -0.126 0 N-CA-C 109.627 -0.509 . . . . 0.0 109.627 -179.716 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 588' ' ' LYS . . . . . 0.515 ' HB2' ' CZ2' ' A' ' 571' ' ' TRP . 47.6 pttt -56.37 -32.08 64.41 Favored 'General case' 0 N--CA 1.455 -0.186 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 178.255 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 589' ' ' ARG . . . . . 0.421 ' CB ' ' O ' ' A' ' 586' ' ' ARG . 1.1 tpt180 -52.98 -30.01 32.53 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-N 114.841 -1.072 . . . . 0.0 110.941 179.602 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 590' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -116.34 29.59 7.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.069 -179.699 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 591' ' ' HIS . . . . . 0.412 ' HB2' ' HA ' ' A' ' 588' ' ' LYS . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.896 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 566' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo . . . . . 0 C--O 1.231 0.174 0 CA-C-O 120.909 0.295 . . . . 0.0 112.423 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 567' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -129.23 94.09 3.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.717 179.742 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 568' ' ' MET . . . . . . . . . . . . . 2.2 ptt? -125.87 138.37 53.8 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.214 -179.708 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 569' ' ' CYS . . . . . 0.472 ' N ' HD22 ' A' ' 584' ' ' LEU . 0.4 OUTLIER -59.12 138.3 57.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.064 179.604 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 44.0 p -95.64 21.62 8.13 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 112.747 0.647 . . . . 0.0 112.747 -178.271 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 571' ' ' TRP . . . . . 0.447 ' CZ2' ' HB2' ' A' ' 588' ' ' LYS . 0.6 OUTLIER -52.25 -179.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.883 0.373 . . . . 0.0 111.201 179.864 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 82.9 p -59.77 -47.02 87.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.441 -179.637 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 573' ' ' TYR . . . . . . . . . . . . . 21.2 t80 -163.76 79.55 0.42 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.875 0.369 . . . . 0.0 111.09 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 574' ' ' CYS . . . . . . . . . . . . . 43.3 t -101.69 -50.16 3.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.85 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . 63.13 61.16 6.64 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.569 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 576' ' ' LYS . . . . . . . . . . . . . 8.4 mtpt -153.74 109.46 3.24 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-O 120.883 0.373 . . . . 0.0 110.969 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 5.8 mtm-85 -89.53 157.09 18.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.892 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 578' ' ' PHE . . . . . 0.505 ' CD2' ' HB3' ' A' ' 583' ' ' GLU . 7.5 m-85 -135.09 163.89 28.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.137 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 579' ' ' THR . . . . . . . . . . . . . 5.5 m -93.95 -7.86 41.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.727 -179.734 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 580' ' ' ARG . . . . . . . . . . . . . 51.9 mmm-85 -145.07 138.48 26.71 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.849 0.357 . . . . 0.0 111.091 -179.739 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 581' ' ' SER . . . . . 0.457 ' O ' ' NE2' ' A' ' 585' ' ' GLN . 1.2 m -58.35 -35.74 72.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.536 179.718 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 582' ' ' ASP . . . . . 0.422 ' HA ' ' NE2' ' A' ' 585' ' ' GLN . 5.0 m-20 -52.64 -33.53 47.23 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.78 179.785 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 583' ' ' GLU . . . . . 0.55 ' O ' ' HB3' ' A' ' 587' ' ' HIS . 4.5 tp10 -58.64 -55.71 31.51 Favored 'General case' 0 CA--C 1.509 -0.603 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.58 179.351 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 584' ' ' LEU . . . . . 0.472 HD22 ' N ' ' A' ' 569' ' ' CYS . 24.4 mt -57.15 -36.15 70.39 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.429 -179.436 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 585' ' ' GLN . . . . . 0.457 ' NE2' ' O ' ' A' ' 581' ' ' SER . 0.0 OUTLIER -59.6 -56.36 22.89 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.083 0.468 . . . . 0.0 109.909 179.278 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 586' ' ' ARG . . . . . 0.427 ' HA ' ' HB2' ' A' ' 589' ' ' ARG . 11.3 ptm180 -72.77 -43.22 63.12 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.781 -0.645 . . . . 0.0 112.394 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 587' ' ' HIS . . . . . 0.55 ' HB3' ' O ' ' A' ' 583' ' ' GLU . 0.1 OUTLIER -62.03 -53.13 59.85 Favored 'General case' 0 CA--C 1.52 -0.206 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 -179.541 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 588' ' ' LYS . . . . . 0.481 ' HA ' ' HB2' ' A' ' 591' ' ' HIS . 6.4 pttt -58.12 -29.89 65.86 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 108.944 -0.761 . . . . 0.0 108.944 178.271 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 589' ' ' ARG . . . . . 0.427 ' HB2' ' HA ' ' A' ' 586' ' ' ARG . 0.2 OUTLIER -53.02 -32.11 44.91 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 114.931 -1.032 . . . . 0.0 110.784 179.362 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 590' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -109.46 17.03 21.84 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.124 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 591' ' ' HIS . . . . . 0.481 ' HB2' ' HA ' ' A' ' 588' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.275 0 CA-C-O 120.859 0.361 . . . . 0.0 110.695 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 566' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_endo . . . . . 0 CA--C 1.527 0.152 0 CA-C-O 120.882 0.284 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 567' ' ' PHE . . . . . 0.402 ' CE1' ' OG ' ' A' ' 581' ' ' SER . 98.9 m-85 -129.25 118.95 23.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.661 179.706 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 568' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -135.22 124.46 24.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.059 -179.814 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 569' ' ' CYS . . . . . 0.775 ' HA ' HD23 ' A' ' 584' ' ' LEU . 13.4 p -50.91 157.43 0.82 Allowed 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.473 179.668 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 61.5 p -90.39 20.86 4.2 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.174 0.435 . . . . 0.0 112.174 -179.108 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 571' ' ' TRP . . . . . 0.51 ' CD2' ' CD2' ' A' ' 591' ' ' HIS . 7.9 m-90 -102.07 100.27 10.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.859 0.361 . . . . 0.0 110.568 179.457 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 55.5 p -55.07 -30.87 60.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.59 -179.453 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 573' ' ' TYR . . . . . . . . . . . . . 38.7 p90 -92.92 18.43 9.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.435 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 574' ' ' CYS . . . . . 0.437 ' HB2' ' CE1' ' A' ' 591' ' ' HIS . 53.8 t -101.77 -50.31 3.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.773 0.32 . . . . 0.0 110.917 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . 56.37 66.02 3.15 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.531 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 576' ' ' LYS . . . . . . . . . . . . . 9.9 ttmm -160.88 117.72 2.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.869 0.366 . . . . 0.0 111.028 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 8.2 mtt180 -89.74 163.5 15.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.84 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 578' ' ' PHE . . . . . 0.471 ' CD2' ' HB3' ' A' ' 583' ' ' GLU . 6.7 m-85 -137.51 164.2 29.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.966 0.412 . . . . 0.0 111.233 -179.849 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 579' ' ' THR . . . . . . . . . . . . . 30.2 m -98.95 -7.83 26.42 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.673 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 580' ' ' ARG . . . . . . . . . . . . . 24.3 mmt85 -146.22 154.53 41.84 Favored 'General case' 0 C--N 1.334 -0.108 0 CA-C-O 120.953 0.406 . . . . 0.0 111.251 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 581' ' ' SER . . . . . 0.506 ' HA ' HD13 ' A' ' 584' ' ' LEU . 49.5 m -70.37 -35.83 73.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.919 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 582' ' ' ASP . . . . . 0.444 ' HA ' ' NE2' ' A' ' 585' ' ' GLN . 0.1 OUTLIER -52.49 -38.13 58.82 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.912 -179.742 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 583' ' ' GLU . . . . . 0.561 ' O ' ' HB3' ' A' ' 587' ' ' HIS . 2.9 tt0 -55.35 -55.48 31.01 Favored 'General case' 0 CA--C 1.511 -0.522 0 CA-C-O 121.102 0.477 . . . . 0.0 110.639 179.369 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 584' ' ' LEU . . . . . 0.775 HD23 ' HA ' ' A' ' 569' ' ' CYS . 5.6 mp -54.39 -36.14 63.6 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.639 -179.312 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 585' ' ' GLN . . . . . 0.457 ' NE2' ' O ' ' A' ' 581' ' ' SER . 0.0 OUTLIER -63.7 -56.89 12.24 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.641 -0.423 . . . . 0.0 110.23 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 586' ' ' ARG . . . . . 0.554 ' O ' ' HB2' ' A' ' 589' ' ' ARG . 3.4 mtt180 -73.41 -35.76 65.89 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 112.948 0.721 . . . . 0.0 112.948 -179.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 587' ' ' HIS . . . . . 0.561 ' HB3' ' O ' ' A' ' 583' ' ' GLU . 0.1 OUTLIER -68.6 -37.29 79.68 Favored 'General case' 0 CA--C 1.52 -0.196 0 C-N-CA 120.202 -0.599 . . . . 0.0 109.839 -178.953 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 588' ' ' LYS . . . . . 0.454 ' HG3' ' N ' ' A' ' 589' ' ' ARG . 0.4 OUTLIER -62.39 -28.76 70.0 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.327 0.584 . . . . 0.0 109.5 178.65 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 589' ' ' ARG . . . . . 0.554 ' HB2' ' O ' ' A' ' 586' ' ' ARG . 4.6 mmt180 -45.99 -28.92 1.27 Allowed 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 115.116 -0.947 . . . . 0.0 111.131 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 590' ' ' THR . . . . . . . . . . . . . 10.1 t -121.85 42.32 3.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.99 -179.783 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 591' ' ' HIS . . . . . 0.51 ' CD2' ' CD2' ' A' ' 571' ' ' TRP . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.895 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 566' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo . . . . . 0 CA--C 1.528 0.177 0 CA-C-O 120.83 0.262 . . . . 0.0 112.742 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 567' ' ' PHE . . . . . . . . . . . . . 83.0 m-85 -129.28 90.8 3.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.539 179.589 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 568' ' ' MET . . . . . . . . . . . . . 2.7 ptt? -131.33 135.89 47.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.926 0.393 . . . . 0.0 111.32 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 569' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -60.53 138.01 58.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.064 179.646 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 31.2 p -98.87 25.97 6.15 Favored 'General case' 0 N--CA 1.464 0.236 0 N-CA-C 112.388 0.514 . . . . 0.0 112.388 -178.575 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 571' ' ' TRP . . . . . 0.464 ' CZ2' ' HB2' ' A' ' 588' ' ' LYS . 0.6 OUTLIER -54.05 -176.3 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.902 0.382 . . . . 0.0 111.19 179.907 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 39.2 t -65.96 -46.89 76.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.31 -179.694 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 573' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -158.7 76.03 0.73 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.961 0.41 . . . . 0.0 111.158 -179.767 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 574' ' ' CYS . . . . . 0.451 ' HG ' ' HE2' ' A' ' 591' ' ' HIS . 41.5 t -101.71 -50.17 3.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.748 179.744 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . 59.6 60.45 8.73 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.479 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 576' ' ' LYS . . . . . . . . . . . . . 3.9 mttt -154.91 106.85 2.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.872 0.368 . . . . 0.0 111.022 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 14.7 mtt85 -89.5 159.34 17.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.708 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 578' ' ' PHE . . . . . 0.498 ' CD2' ' HB3' ' A' ' 583' ' ' GLU . 9.2 m-85 -134.09 163.71 28.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.928 0.394 . . . . 0.0 110.917 -179.879 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 579' ' ' THR . . . . . 0.423 ' HB ' ' HD2' ' A' ' 580' ' ' ARG . 12.2 m -95.17 -7.84 38.05 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.306 179.837 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 580' ' ' ARG . . . . . 0.446 ' HD2' ' N ' ' A' ' 580' ' ' ARG . 1.9 mpt_? -136.62 137.15 39.82 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-O 120.832 0.349 . . . . 0.0 110.905 -179.876 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 581' ' ' SER . . . . . 0.506 ' HA ' HD23 ' A' ' 584' ' ' LEU . 0.3 OUTLIER -59.07 -40.01 83.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.01 0.433 . . . . 0.0 110.269 179.541 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 582' ' ' ASP . . . . . 0.408 ' HA ' ' NE2' ' A' ' 585' ' ' GLN . 3.1 m-20 -52.85 -34.12 52.87 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.381 179.832 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 583' ' ' GLU . . . . . 0.613 ' O ' ' HB3' ' A' ' 587' ' ' HIS . 8.4 tp10 -55.32 -56.28 21.87 Favored 'General case' 0 CA--C 1.508 -0.659 0 CA-C-O 120.887 0.375 . . . . 0.0 111.062 -179.842 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 584' ' ' LEU . . . . . 0.506 HD23 ' HA ' ' A' ' 581' ' ' SER . 0.6 OUTLIER -59.6 -33.22 71.2 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.749 -0.659 . . . . 0.0 111.11 -179.333 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 585' ' ' GLN . . . . . 0.491 ' O ' ' HG3' ' A' ' 588' ' ' LYS . 0.0 OUTLIER -61.19 -56.53 19.7 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.013 0.435 . . . . 0.0 109.999 179.209 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 586' ' ' ARG . . . . . 0.447 ' HG3' ' N ' ' A' ' 587' ' ' HIS . 12.3 ptt180 -72.99 -41.66 64.09 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.019 -0.537 . . . . 0.0 112.099 179.64 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 587' ' ' HIS . . . . . 0.613 ' HB3' ' O ' ' A' ' 583' ' ' GLU . 0.1 OUTLIER -62.45 -45.84 91.24 Favored 'General case' 0 CA--C 1.521 -0.166 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 -179.643 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 588' ' ' LYS . . . . . 0.491 ' HG3' ' O ' ' A' ' 585' ' ' GLN . 0.0 OUTLIER -61.3 -31.86 71.7 Favored 'General case' 0 N--CA 1.454 -0.274 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 178.312 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 589' ' ' ARG . . . . . 0.482 ' N ' ' HG3' ' A' ' 588' ' ' LYS . 0.3 OUTLIER -51.18 -28.77 11.99 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 114.751 -1.113 . . . . 0.0 111.077 179.8 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 590' ' ' THR . . . . . . . . . . . . . 10.0 t -124.47 32.3 5.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.781 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 591' ' ' HIS . . . . . 0.451 ' HE2' ' HG ' ' A' ' 574' ' ' CYS . 1.2 t-80 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.924 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 566' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_exo . . . . . 0 CA--C 1.529 0.269 0 N-CA-C 112.991 0.343 . . . . 0.0 112.991 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 567' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -129.61 123.89 32.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.616 179.409 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 568' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -147.41 127.17 13.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.797 0.332 . . . . 0.0 111.141 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 569' ' ' CYS . . . . . 0.465 ' HA ' HD23 ' A' ' 584' ' ' LEU . 0.5 OUTLIER -61.31 142.69 56.69 Favored 'General case' 0 CA--C 1.532 0.252 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 179.567 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -96.83 10.15 39.75 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.794 0.664 . . . . 0.0 112.794 -178.304 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 571' ' ' TRP . . . . . 0.466 ' CZ2' ' HB2' ' A' ' 588' ' ' LYS . 0.9 OUTLIER -47.44 168.91 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.894 0.378 . . . . 0.0 111.571 -179.809 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 59.7 p -56.85 -47.04 81.3 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.808 -179.128 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 573' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -161.51 82.72 0.61 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.861 0.362 . . . . 0.0 111.36 -179.645 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 574' ' ' CYS . . . . . . . . . . . . . 40.9 t -101.71 -50.21 3.77 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.654 179.715 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . 68.7 51.82 28.34 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.571 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 576' ' ' LYS . . . . . . . . . . . . . 7.8 tttt -149.56 124.48 9.94 Favored 'General case' 0 N--CA 1.453 -0.275 0 CA-C-O 120.838 0.351 . . . . 0.0 110.951 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 11.9 mtt-85 -89.55 163.61 15.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.768 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 578' ' ' PHE . . . . . 0.406 ' HB2' HD11 ' A' ' 584' ' ' LEU . 41.7 m-85 -138.08 163.7 30.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.39 -179.394 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 579' ' ' THR . . . . . . . . . . . . . 19.0 m -109.75 -17.67 13.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.048 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 580' ' ' ARG . . . . . . . . . . . . . 3.7 mmm180 -139.38 143.06 37.55 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.798 0.332 . . . . 0.0 110.74 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 581' ' ' SER . . . . . 0.47 ' O ' ' NE2' ' A' ' 585' ' ' GLN . 78.2 p -60.18 -36.97 78.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.828 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 582' ' ' ASP . . . . . 0.434 ' HA ' ' NE2' ' A' ' 585' ' ' GLN . 1.4 m-20 -52.54 -35.05 52.75 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.081 -179.757 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 583' ' ' GLU . . . . . 0.496 ' O ' ' HB3' ' A' ' 587' ' ' HIS . 4.9 tp10 -58.3 -55.03 40.2 Favored 'General case' 0 CA--C 1.51 -0.586 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.665 179.397 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 584' ' ' LEU . . . . . 0.465 HD23 ' HA ' ' A' ' 569' ' ' CYS . 7.3 mp -54.15 -36.82 63.75 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.04 -179.617 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 585' ' ' GLN . . . . . 0.47 ' NE2' ' O ' ' A' ' 581' ' ' SER . 0.0 OUTLIER -60.06 -56.39 22.17 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.123 0.487 . . . . 0.0 109.886 179.204 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 586' ' ' ARG . . . . . 0.417 ' HA ' ' HB2' ' A' ' 589' ' ' ARG . 4.0 ptm180 -72.8 -42.65 63.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.671 -0.695 . . . . 0.0 112.388 179.85 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 587' ' ' HIS . . . . . 0.496 ' HB3' ' O ' ' A' ' 583' ' ' GLU . 0.2 OUTLIER -62.64 -53.63 51.65 Favored 'General case' 0 CA--C 1.518 -0.256 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 -179.625 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 588' ' ' LYS . . . . . 0.476 ' HA ' ' HB2' ' A' ' 591' ' ' HIS . 0.4 OUTLIER -57.95 -31.13 66.56 Favored 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 178.449 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 589' ' ' ARG . . . . . 0.417 ' HB2' ' HA ' ' A' ' 586' ' ' ARG . 0.0 OUTLIER -48.88 -30.34 5.73 Favored 'General case' 0 C--O 1.231 0.109 0 CA-C-N 114.954 -1.021 . . . . 0.0 110.944 179.373 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 590' ' ' THR . . . . . . . . . . . . . 4.2 t -121.63 28.09 7.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.856 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 591' ' ' HIS . . . . . 0.476 ' HB2' ' HA ' ' A' ' 588' ' ' LYS . 1.5 t-80 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.94 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 566' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_endo . . . . . 0 C--O 1.232 0.21 0 CA-C-O 120.792 0.247 . . . . 0.0 112.638 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 567' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -129.28 119.57 24.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.71 179.618 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 568' ' ' MET . . . . . . . . . . . . . 7.2 ptt? -147.34 129.94 15.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.911 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 569' ' ' CYS . . . . . 0.402 ' SG ' ' HB3' ' A' ' 574' ' ' CYS . 0.5 OUTLIER -59.78 140.5 56.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.071 179.68 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 44.9 p -89.95 3.69 52.34 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 112.794 0.664 . . . . 0.0 112.794 -178.368 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 571' ' ' TRP . . . . . 0.453 ' CH2' ' HB2' ' A' ' 588' ' ' LYS . 0.8 OUTLIER -46.24 167.3 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 120.937 0.399 . . . . 0.0 111.58 -179.713 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 3.4 m -57.01 -47.18 81.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.886 -179.16 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 573' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -163.34 87.34 0.54 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.833 0.349 . . . . 0.0 111.337 -179.647 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 574' ' ' CYS . . . . . 0.433 ' HG ' ' CE1' ' A' ' 591' ' ' HIS . 43.3 t -101.67 -50.22 3.77 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.573 179.65 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . 74.81 43.89 26.75 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.913 -0.66 . . . . 0.0 112.681 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 576' ' ' LYS . . . . . . . . . . . . . 58.1 mttt -144.83 122.93 12.12 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-O 120.823 0.344 . . . . 0.0 110.977 179.792 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 5.6 mtt180 -89.48 163.56 15.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.632 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 578' ' ' PHE . . . . . 0.421 ' CD2' ' HB3' ' A' ' 583' ' ' GLU . 60.4 m-85 -136.74 163.91 29.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.116 0.484 . . . . 0.0 111.449 -179.346 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 579' ' ' THR . . . . . . . . . . . . . 1.7 m -109.92 -17.92 13.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.831 179.636 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 580' ' ' ARG . . . . . 0.426 ' HD3' ' N ' ' A' ' 580' ' ' ARG . 1.3 mpp_? -130.19 137.16 49.94 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-O 120.88 0.371 . . . . 0.0 111.138 -179.845 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 581' ' ' SER . . . . . 0.439 ' O ' ' HG ' ' A' ' 584' ' ' LEU . 0.3 OUTLIER -60.64 -21.94 63.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.066 179.737 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 582' ' ' ASP . . . . . 0.426 ' HA ' ' HG2' ' A' ' 585' ' ' GLN . 1.1 m-20 -73.21 -34.49 65.96 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.772 -179.307 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 583' ' ' GLU . . . . . 0.452 ' O ' ' HB3' ' A' ' 587' ' ' HIS . 4.0 tp10 -55.07 -55.33 32.28 Favored 'General case' 0 CA--C 1.509 -0.604 0 CA-C-O 120.837 0.351 . . . . 0.0 111.232 -179.542 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 584' ' ' LEU . . . . . 0.772 HD12 HE22 ' A' ' 585' ' ' GLN . 0.0 OUTLIER -53.97 -32.62 54.53 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.964 -179.457 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 585' ' ' GLN . . . . . 0.772 HE22 HD12 ' A' ' 584' ' ' LEU . 16.2 mm-40 -63.89 -56.25 16.68 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.122 0.487 . . . . 0.0 109.952 179.042 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 586' ' ' ARG . . . . . 0.431 ' HA ' ' HB2' ' A' ' 589' ' ' ARG . 2.6 ptm180 -72.63 -39.54 67.15 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.718 -0.673 . . . . 0.0 112.431 -179.842 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 587' ' ' HIS . . . . . 0.452 ' HB3' ' O ' ' A' ' 583' ' ' GLU . 0.1 OUTLIER -65.3 -52.34 54.76 Favored 'General case' 0 CA--C 1.519 -0.218 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 -179.854 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 588' ' ' LYS . . . . . 0.493 ' HA ' ' HB2' ' A' ' 591' ' ' HIS . 14.2 pttt -59.8 -30.87 69.2 Favored 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 178.404 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 589' ' ' ARG . . . . . 0.431 ' HB2' ' HA ' ' A' ' 586' ' ' ARG . 0.0 OUTLIER -47.08 -32.68 4.3 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 114.996 -1.002 . . . . 0.0 110.784 179.396 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 590' ' ' THR . . . . . . . . . . . . . 4.0 t -123.91 27.98 7.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.649 179.754 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 591' ' ' HIS . . . . . 0.493 ' HB2' ' HA ' ' A' ' 588' ' ' LYS . 1.7 t-80 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.916 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 566' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_endo . . . . . 0 N--CA 1.463 -0.293 0 CA-C-O 120.701 0.209 . . . . 0.0 112.631 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 567' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 -129.33 104.13 7.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.796 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 568' ' ' MET . . . . . 0.422 ' CE ' HG23 ' A' ' 570' ' ' THR . 0.0 OUTLIER -147.28 121.16 9.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.082 -179.884 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 569' ' ' CYS . . . . . 0.409 ' N ' ' CD2' ' A' ' 584' ' ' LEU . 0.1 OUTLIER -60.17 125.35 23.35 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 179.552 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 570' ' ' THR . . . . . 0.422 HG23 ' CE ' ' A' ' 568' ' ' MET . 2.6 p -92.9 37.85 1.02 Allowed 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 111.972 0.36 . . . . 0.0 111.972 -178.717 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 571' ' ' TRP . . . . . 0.468 ' CZ2' ' HB2' ' A' ' 588' ' ' LYS . 1.2 m-90 -65.31 169.22 6.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.879 0.371 . . . . 0.0 111.129 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -52.08 -46.95 65.4 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.654 -179.439 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 573' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -161.14 73.0 0.45 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.902 0.382 . . . . 0.0 111.133 -179.804 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 574' ' ' CYS . . . . . . . . . . . . . 41.6 t -101.5 -46.47 4.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.533 179.648 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . 58.47 64.27 4.47 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.614 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 576' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -155.5 123.81 5.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.867 0.365 . . . . 0.0 110.938 179.81 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -89.52 163.53 15.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.654 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 578' ' ' PHE . . . . . . . . . . . . . 41.8 m-85 -138.16 163.68 31.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.031 0.444 . . . . 0.0 111.435 -179.452 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 579' ' ' THR . . . . . . . . . . . . . 30.0 m -108.02 -15.89 14.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.108 179.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 580' ' ' ARG . . . . . . . . . . . . . 7.9 mmt85 -140.5 140.26 35.26 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.872 0.367 . . . . 0.0 110.699 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 581' ' ' SER . . . . . 0.609 ' HA ' HD12 ' A' ' 584' ' ' LEU . 0.9 OUTLIER -58.25 -39.9 80.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.063 -179.845 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -52.66 -34.09 50.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.207 -179.722 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 583' ' ' GLU . . . . . 0.523 ' O ' ' HB3' ' A' ' 587' ' ' HIS . 4.3 tp10 -56.68 -55.11 38.19 Favored 'General case' 0 CA--C 1.507 -0.688 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.914 179.602 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 584' ' ' LEU . . . . . 0.609 HD12 ' HA ' ' A' ' 581' ' ' SER . 0.8 OUTLIER -53.91 -33.01 55.37 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.112 -179.311 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 585' ' ' GLN . . . . . 0.47 ' NE2' ' O ' ' A' ' 581' ' ' SER . 0.1 OUTLIER -66.03 -56.14 13.1 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.047 0.451 . . . . 0.0 109.806 179.354 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 586' ' ' ARG . . . . . 0.416 ' O ' ' HB2' ' A' ' 589' ' ' ARG . 1.0 OUTLIER -72.61 -37.91 67.96 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.887 -0.597 . . . . 0.0 112.175 179.842 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 587' ' ' HIS . . . . . 0.523 ' HB3' ' O ' ' A' ' 583' ' ' GLU . 0.1 OUTLIER -65.51 -43.36 90.32 Favored 'General case' 0 CA--C 1.518 -0.283 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 -179.951 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 588' ' ' LYS . . . . . 0.525 ' HG3' ' N ' ' A' ' 589' ' ' ARG . 0.2 OUTLIER -60.01 -32.35 70.79 Favored 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 178.437 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 589' ' ' ARG . . . . . 0.525 ' N ' ' HG3' ' A' ' 588' ' ' LYS . 0.0 OUTLIER -50.66 -27.85 7.76 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-N 114.719 -1.128 . . . . 0.0 110.804 179.522 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 590' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -116.54 26.73 9.66 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.779 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 591' ' ' HIS . . . . . 0.434 ' HB2' ' HA ' ' A' ' 588' ' ' LYS . 1.8 t-80 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.971 -179.923 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 566' ' ' PRO . . . . . 0.42 ' HD2' ' CE2' ' A' ' 567' ' ' PHE . 83.2 Cg_endo . . . . . 0 N--CA 1.463 -0.271 0 N-CA-C 112.798 0.268 . . . . 0.0 112.798 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 567' ' ' PHE . . . . . 0.42 ' CE2' ' HD2' ' A' ' 566' ' ' PRO . 14.3 m-85 -129.32 90.84 3.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.867 0.365 . . . . 0.0 110.769 179.716 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 568' ' ' MET . . . . . 0.53 ' C ' HD21 ' A' ' 584' ' ' LEU . 0.7 OUTLIER -136.24 135.85 39.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.771 179.931 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 569' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -55.89 143.69 30.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.372 179.912 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 39.6 p -89.55 13.62 13.5 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 112.765 0.654 . . . . 0.0 112.765 -178.429 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 571' ' ' TRP . . . . . 0.468 ' CZ2' ' HB3' ' A' ' 591' ' ' HIS . 0.8 OUTLIER -56.32 168.32 0.55 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.795 0.331 . . . . 0.0 110.998 -179.995 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 57.7 m -57.65 -47.06 83.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.445 -179.526 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 573' ' ' TYR . . . . . 0.405 ' CD2' ' O ' ' A' ' 573' ' ' TYR . 15.8 p90 -163.9 86.32 0.49 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.924 0.393 . . . . 0.0 110.957 -179.905 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 574' ' ' CYS . . . . . . . . . . . . . 9.2 t -101.6 -50.06 3.83 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.96 -179.961 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . 81.08 4.01 90.58 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.821 -179.897 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 576' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.59 99.37 12.3 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-O 120.811 0.339 . . . . 0.0 110.959 -179.886 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 26.9 mtt85 -89.52 144.24 26.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.553 179.73 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 578' ' ' PHE . . . . . 0.489 ' CD2' ' HB3' ' A' ' 583' ' ' GLU . 20.1 m-85 -134.27 164.11 28.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.452 -179.475 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 579' ' ' THR . . . . . 0.404 HG22 ' O ' ' A' ' 579' ' ' THR . 59.5 m -105.88 -7.37 18.27 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.486 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 580' ' ' ARG . . . . . 0.407 ' HD2' ' N ' ' A' ' 580' ' ' ARG . 1.7 mpt_? -130.62 137.12 49.47 Favored 'General case' 0 N--CA 1.456 -0.158 0 CA-C-O 120.81 0.338 . . . . 0.0 111.009 -179.766 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 581' ' ' SER . . . . . 0.401 ' O ' ' HG2' ' A' ' 585' ' ' GLN . 9.8 t -60.03 -33.54 72.16 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.499 179.671 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.54 -40.7 65.72 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.049 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 583' ' ' GLU . . . . . 0.566 ' O ' ' HB3' ' A' ' 587' ' ' HIS . 2.6 tp10 -55.23 -55.42 31.47 Favored 'General case' 0 CA--C 1.509 -0.605 0 CA-C-O 121.054 0.454 . . . . 0.0 110.6 179.612 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 584' ' ' LEU . . . . . 0.537 ' H ' HD12 ' A' ' 584' ' ' LEU . 6.5 mp -55.23 -33.26 62.96 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.745 -179.232 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 585' ' ' GLN . . . . . 0.439 ' O ' ' HG2' ' A' ' 589' ' ' ARG . 21.9 mm-40 -66.63 -56.78 9.1 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.326 -0.55 . . . . 0.0 109.932 179.62 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 586' ' ' ARG . . . . . 0.549 ' O ' ' HB2' ' A' ' 589' ' ' ARG . 2.3 ptm180 -72.78 -36.99 67.75 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.898 0.703 . . . . 0.0 112.898 -179.722 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 587' ' ' HIS . . . . . 0.566 ' HB3' ' O ' ' A' ' 583' ' ' GLU . 0.1 OUTLIER -68.35 -34.81 76.76 Favored 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 -179.616 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 588' ' ' LYS . . . . . 0.457 ' HB2' ' O ' ' A' ' 584' ' ' LEU . 87.7 mttt -72.77 -28.73 62.78 Favored 'General case' 0 N--CA 1.45 -0.433 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 178.27 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 589' ' ' ARG . . . . . 0.549 ' HB2' ' O ' ' A' ' 586' ' ' ARG . 12.2 mmm-85 -54.09 -24.65 18.26 Favored 'General case' 0 C--O 1.231 0.119 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.85 179.62 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 590' ' ' THR . . . . . . . . . . . . . 7.9 t -113.74 17.66 17.96 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.137 179.941 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 591' ' ' HIS . . . . . 0.468 ' HB3' ' CZ2' ' A' ' 571' ' ' TRP . 0.1 OUTLIER . . . . . 0 C--N 1.331 -0.222 0 CA-C-O 120.895 0.379 . . . . 0.0 110.773 179.983 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 566' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_endo . . . . . 0 N--CA 1.464 -0.246 0 CA-C-O 120.714 0.214 . . . . 0.0 112.594 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 567' ' ' PHE . . . . . 0.494 ' HB3' HD11 ' A' ' 584' ' ' LEU . 63.3 m-85 -129.32 93.49 3.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.77 179.885 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 568' ' ' MET . . . . . . . . . . . . . 16.8 ptt? -135.13 127.51 30.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.876 -179.945 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 569' ' ' CYS . . . . . 0.426 ' N ' ' CD2' ' A' ' 584' ' ' LEU . 0.5 OUTLIER -62.35 130.65 46.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.264 -0.425 . . . . 0.0 109.864 179.732 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 1.2 p -88.72 16.04 7.34 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 112.67 0.619 . . . . 0.0 112.67 -178.383 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 571' ' ' TRP . . . . . 0.508 ' CZ2' ' HB2' ' A' ' 588' ' ' LYS . 0.8 OUTLIER -50.23 171.64 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.886 0.374 . . . . 0.0 111.307 179.995 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 60.2 p -56.72 -47.02 80.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.435 -179.555 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 573' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -165.34 84.19 0.36 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.833 0.349 . . . . 0.0 111.13 -179.817 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 574' ' ' CYS . . . . . 0.428 ' HG ' ' CE1' ' A' ' 591' ' ' HIS . 51.7 t -101.6 -50.17 3.8 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.723 179.803 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . 71.45 47.41 35.35 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.557 179.953 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 576' ' ' LYS . . . . . . . . . . . . . 43.1 mttm -145.44 121.42 10.69 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-O 120.851 0.357 . . . . 0.0 111.024 179.899 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.43 163.58 15.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.626 179.815 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 578' ' ' PHE . . . . . . . . . . . . . 38.4 m-85 -136.83 163.69 30.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.003 0.43 . . . . 0.0 111.602 -179.27 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 579' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -106.19 -15.58 14.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.063 179.754 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 580' ' ' ARG . . . . . . . . . . . . . 4.7 mtm180 -142.24 149.02 39.06 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.878 0.371 . . . . 0.0 110.764 179.953 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 581' ' ' SER . . . . . 0.48 ' O ' ' NE2' ' A' ' 585' ' ' GLN . 0.3 OUTLIER -64.21 -37.2 86.63 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.08 -179.839 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 582' ' ' ASP . . . . . 0.44 ' HA ' ' NE2' ' A' ' 585' ' ' GLN . 6.9 t0 -52.47 -37.98 58.31 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.431 -179.551 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 583' ' ' GLU . . . . . 0.534 ' O ' ' HB3' ' A' ' 587' ' ' HIS . 5.1 tt0 -55.65 -55.04 36.77 Favored 'General case' 0 CA--C 1.508 -0.668 0 CA-C-O 120.858 0.361 . . . . 0.0 110.993 179.641 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 584' ' ' LEU . . . . . 0.507 ' O ' ' HG2' ' A' ' 588' ' ' LYS . 1.7 mp -53.89 -33.06 55.39 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.136 -179.294 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 585' ' ' GLN . . . . . 0.48 ' NE2' ' O ' ' A' ' 581' ' ' SER . 0.0 OUTLIER -65.13 -56.73 11.27 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.015 0.436 . . . . 0.0 109.979 179.277 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 586' ' ' ARG . . . . . 0.42 ' O ' ' HB2' ' A' ' 589' ' ' ARG . 0.3 OUTLIER -72.87 -37.56 67.3 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.896 -0.593 . . . . 0.0 112.325 179.914 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 587' ' ' HIS . . . . . 0.534 ' HB3' ' O ' ' A' ' 583' ' ' GLU . 0.2 OUTLIER -65.85 -41.94 91.07 Favored 'General case' 0 CA--C 1.518 -0.261 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 -179.972 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 588' ' ' LYS . . . . . 0.521 ' HG3' ' N ' ' A' ' 589' ' ' ARG . 0.1 OUTLIER -61.84 -32.65 72.99 Favored 'General case' 0 N--CA 1.45 -0.444 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 178.303 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 589' ' ' ARG . . . . . 0.521 ' N ' ' HG3' ' A' ' 588' ' ' LYS . 0.1 OUTLIER -50.87 -26.99 6.51 Favored 'General case' 0 C--O 1.231 0.121 0 CA-C-N 114.736 -1.12 . . . . 0.0 111.028 179.634 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 590' ' ' THR . . . . . . . . . . . . . 9.2 t -120.37 30.33 7.01 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.758 179.928 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 591' ' ' HIS . . . . . 0.428 ' CE1' ' HG ' ' A' ' 574' ' ' CYS . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.861 -179.944 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 566' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo . . . . . 0 C--O 1.231 0.161 0 CA-C-O 120.903 0.293 . . . . 0.0 112.437 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 567' ' ' PHE . . . . . 0.426 ' CE1' ' HB3' ' A' ' 581' ' ' SER . 59.7 m-85 -129.36 100.48 5.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.807 179.857 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 568' ' ' MET . . . . . . . . . . . . . 18.8 ptp -138.15 130.26 28.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.055 -179.953 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 569' ' ' CYS . . . . . 0.511 ' N ' HD22 ' A' ' 584' ' ' LEU . 0.5 OUTLIER -57.32 135.49 56.5 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.195 179.753 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 17.3 p -92.83 33.92 1.12 Allowed 'General case' 0 N--CA 1.463 0.212 0 N-CA-C 112.57 0.581 . . . . 0.0 112.57 -178.441 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 571' ' ' TRP . . . . . 0.478 ' CZ2' ' HB2' ' A' ' 588' ' ' LYS . 1.3 m-90 -67.22 -177.43 0.67 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.86 0.362 . . . . 0.0 110.939 179.552 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 2.6 t -70.69 -46.87 62.36 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.95 -179.962 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 573' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -158.2 77.64 0.8 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 179.938 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 574' ' ' CYS . . . . . . . . . . . . . 41.7 t -101.23 -49.91 3.93 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.723 179.95 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . 63.03 61.59 6.26 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.627 179.885 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 576' ' ' LYS . . . . . . . . . . . . . 2.8 mtpm? -154.37 107.53 2.87 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-O 120.921 0.391 . . . . 0.0 110.895 179.827 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 4.3 mtt180 -89.5 156.48 18.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.676 179.968 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 578' ' ' PHE . . . . . 0.49 ' CD2' ' HB3' ' A' ' 583' ' ' GLU . 9.9 m-85 -135.87 163.89 29.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.032 0.444 . . . . 0.0 111.277 -179.869 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 579' ' ' THR . . . . . . . . . . . . . 27.2 m -100.6 -6.04 25.85 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.464 -179.928 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 580' ' ' ARG . . . . . . . . . . . . . 2.3 mmm180 -138.82 137.12 36.33 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.834 0.349 . . . . 0.0 110.883 -179.762 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 581' ' ' SER . . . . . 0.452 ' O ' ' NE2' ' A' ' 585' ' ' GLN . 88.3 p -59.29 -38.36 80.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.389 179.695 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 582' ' ' ASP . . . . . 0.416 ' O ' ' HG3' ' A' ' 586' ' ' ARG . 85.1 m-20 -52.84 -35.08 56.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.281 -179.981 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 583' ' ' GLU . . . . . 0.565 ' O ' ' HB3' ' A' ' 587' ' ' HIS . 4.8 tp10 -55.22 -56.14 23.36 Favored 'General case' 0 CA--C 1.509 -0.622 0 CA-C-O 120.998 0.428 . . . . 0.0 110.928 179.917 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 584' ' ' LEU . . . . . 0.511 HD22 ' N ' ' A' ' 569' ' ' CYS . 18.8 mt -55.7 -33.77 64.48 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.706 -179.2 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 585' ' ' GLN . . . . . 0.46 ' O ' ' CG ' ' A' ' 588' ' ' LYS . 0.1 OUTLIER -64.78 -56.35 14.12 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.0 0.428 . . . . 0.0 109.902 179.803 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 586' ' ' ARG . . . . . 0.557 ' O ' ' HB2' ' A' ' 589' ' ' ARG . 24.9 mtm180 -73.5 -38.24 65.44 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.938 -0.574 . . . . 0.0 112.526 179.782 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 587' ' ' HIS . . . . . 0.565 ' HB3' ' O ' ' A' ' 583' ' ' GLU . 0.1 OUTLIER -64.62 -36.77 85.32 Favored 'General case' 0 CA--C 1.518 -0.276 0 C-N-CA 120.299 -0.56 . . . . 0.0 109.762 -179.11 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 588' ' ' LYS . . . . . 0.478 ' HB2' ' CZ2' ' A' ' 571' ' ' TRP . 0.6 OUTLIER -62.82 -30.59 71.6 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 178.662 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 589' ' ' ARG . . . . . 0.557 ' HB2' ' O ' ' A' ' 586' ' ' ARG . 31.2 mmt180 -50.25 -29.39 9.45 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.214 -0.903 . . . . 0.0 110.866 179.478 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 590' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -113.48 28.97 8.35 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.948 -179.672 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 591' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.909 -179.904 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 566' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo . . . . . 0 C--O 1.232 0.182 0 CA-C-O 120.851 0.271 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 567' ' ' PHE . . . . . 0.419 ' CD1' ' HB3' ' A' ' 581' ' ' SER . 79.0 m-85 -129.23 131.48 47.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.702 179.752 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 568' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -147.35 129.22 15.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.198 -179.817 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 569' ' ' CYS . . . . . 0.419 ' HB2' ' CE3' ' A' ' 571' ' ' TRP . 7.7 p -63.25 150.89 42.01 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 179.187 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 40.4 p -89.08 24.45 2.12 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 -179.028 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 571' ' ' TRP . . . . . 0.47 ' CZ2' ' HB2' ' A' ' 588' ' ' LYS . 7.9 m-90 -101.07 98.23 8.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.78 0.324 . . . . 0.0 110.738 179.386 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 67.0 m -50.24 -46.19 54.58 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.029 -179.851 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 573' ' ' TYR . . . . . . . . . . . . . 31.5 t80 -62.58 -18.27 61.78 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.066 179.806 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 574' ' ' CYS . . . . . 0.468 ' HB2' ' CE1' ' A' ' 591' ' ' HIS . 33.7 t -82.49 -50.38 8.9 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.221 -179.827 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . 47.79 70.02 0.81 Allowed Glycine 0 C--N 1.331 0.277 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.461 -179.71 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 576' ' ' LYS . . . . . 0.435 ' HE2' ' CE2' ' A' ' 578' ' ' PHE . 6.4 tttp -156.24 133.02 10.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.871 0.367 . . . . 0.0 111.096 -179.666 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 15.3 mtt-85 -89.59 158.63 17.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.499 179.739 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 578' ' ' PHE . . . . . 0.438 ' CD2' ' HB3' ' A' ' 583' ' ' GLU . 53.2 m-85 -128.77 160.87 31.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.044 0.45 . . . . 0.0 111.462 -179.613 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 579' ' ' THR . . . . . . . . . . . . . 4.5 m -90.84 -21.41 21.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.578 179.472 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 580' ' ' ARG . . . . . . . . . . . . . 32.5 mmm180 -141.36 137.13 32.12 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.43 179.697 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 581' ' ' SER . . . . . 0.613 ' HA ' HD23 ' A' ' 584' ' ' LEU . 0.1 OUTLIER -56.59 -38.62 72.27 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.101 -179.724 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 582' ' ' ASP . . . . . 0.438 ' HA ' ' NE2' ' A' ' 585' ' ' GLN . 10.2 m-20 -52.64 -35.36 54.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.781 -179.539 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 583' ' ' GLU . . . . . 0.555 ' O ' ' HB3' ' A' ' 587' ' ' HIS . 4.5 tp10 -56.95 -55.95 27.96 Favored 'General case' 0 CA--C 1.509 -0.623 0 CA-C-O 121.056 0.455 . . . . 0.0 111.187 -179.84 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 584' ' ' LEU . . . . . 0.613 HD23 ' HA ' ' A' ' 581' ' ' SER . 0.7 OUTLIER -56.35 -32.68 64.93 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.341 -178.905 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 585' ' ' GLN . . . . . 0.465 ' NE2' ' O ' ' A' ' 581' ' ' SER . 0.0 OUTLIER -62.76 -56.82 14.06 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 179.294 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 586' ' ' ARG . . . . . 0.59 ' O ' ' HD2' ' A' ' 589' ' ' ARG . 0.0 OUTLIER -73.39 -41.7 63.03 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.949 -0.569 . . . . 0.0 112.458 179.474 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 587' ' ' HIS . . . . . 0.555 ' HB3' ' O ' ' A' ' 583' ' ' GLU . 0.0 OUTLIER -58.82 -26.09 63.8 Favored 'General case' 0 C--N 1.333 -0.142 0 C-N-CA 120.646 -0.422 . . . . 0.0 110.114 -179.522 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 588' ' ' LYS . . . . . 0.542 ' HB3' ' O ' ' A' ' 584' ' ' LEU . 6.3 pttt -65.28 -27.97 69.0 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.92 178.983 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 589' ' ' ARG . . . . . 0.59 ' HD2' ' O ' ' A' ' 586' ' ' ARG . 0.0 OUTLIER -45.36 -29.42 1.05 Allowed 'General case' 0 C--O 1.231 0.121 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.751 -179.545 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 590' ' ' THR . . . . . 0.428 ' N ' ' CD ' ' A' ' 589' ' ' ARG . 9.5 t -113.22 37.18 3.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.804 179.705 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 591' ' ' HIS . . . . . 0.468 ' CE1' ' HB2' ' A' ' 574' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.868 -179.967 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 566' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_endo . . . . . 0 N--CA 1.464 -0.219 0 N-CA-C 112.937 0.322 . . . . 0.0 112.937 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 567' ' ' PHE . . . . . . . . . . . . . 32.3 m-85 -129.31 105.58 8.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.731 179.733 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 568' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -147.45 125.71 12.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.022 -179.944 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 569' ' ' CYS . . . . . 0.408 ' N ' ' CD2' ' A' ' 584' ' ' LEU . 0.1 OUTLIER -60.69 125.28 23.12 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 179.522 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 31.9 p -93.77 34.9 1.17 Allowed 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 111.965 0.358 . . . . 0.0 111.965 -178.812 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 571' ' ' TRP . . . . . 0.494 ' CZ2' ' HB2' ' A' ' 588' ' ' LYS . 1.2 m-90 -60.33 171.87 0.97 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.849 0.357 . . . . 0.0 111.072 179.732 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 87.6 p -53.45 -46.95 70.08 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.306 -179.714 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 573' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -161.94 75.35 0.46 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.003 0.43 . . . . 0.0 110.917 179.967 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 574' ' ' CYS . . . . . . . . . . . . . 40.4 t -101.45 -49.1 4.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.711 179.857 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . 62.62 64.33 3.94 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.444 179.981 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 576' ' ' LYS . . . . . . . . . . . . . 33.6 mttt -158.02 121.13 3.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.807 0.337 . . . . 0.0 110.909 179.902 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 7.8 mtp85 -89.55 163.47 15.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 179.901 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 578' ' ' PHE . . . . . 0.437 ' CD2' ' HB3' ' A' ' 583' ' ' GLU . 75.6 m-85 -139.75 163.71 31.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.31 -179.528 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 579' ' ' THR . . . . . . . . . . . . . 68.6 m -100.6 -16.07 17.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.269 179.944 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 580' ' ' ARG . . . . . . . . . . . . . 1.1 mtt85 -147.4 142.53 27.14 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-O 120.81 0.338 . . . . 0.0 110.947 -179.966 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 581' ' ' SER . . . . . 0.782 ' HA ' HD12 ' A' ' 584' ' ' LEU . 1.4 m -58.76 -24.87 62.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.94 179.813 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -58.86 -43.46 90.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.094 -179.917 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 583' ' ' GLU . . . . . 0.467 ' O ' ' HB3' ' A' ' 587' ' ' HIS . 3.3 tp10 -55.11 -49.0 72.84 Favored 'General case' 0 CA--C 1.509 -0.62 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.893 179.85 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 584' ' ' LEU . . . . . 0.782 HD12 ' HA ' ' A' ' 581' ' ' SER . 2.6 mt -53.82 -32.72 53.78 Favored 'General case' 0 C--N 1.318 -0.761 0 C-N-CA 120.625 -0.43 . . . . 0.0 110.177 179.763 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 585' ' ' GLN . . . . . 0.721 ' HG2' ' N ' ' A' ' 586' ' ' ARG . 0.0 OUTLIER -64.18 -56.06 17.42 Favored 'General case' 0 N--CA 1.449 -0.517 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 178.828 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 586' ' ' ARG . . . . . 0.721 ' N ' ' HG2' ' A' ' 585' ' ' GLN . 0.1 OUTLIER -73.57 -41.25 63.17 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.59 -0.732 . . . . 0.0 112.37 179.842 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 587' ' ' HIS . . . . . 0.467 ' HB3' ' O ' ' A' ' 583' ' ' GLU . 0.1 OUTLIER -63.7 -48.19 78.13 Favored 'General case' 0 CA--C 1.519 -0.222 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 -179.279 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 588' ' ' LYS . . . . . 0.518 ' HG2' ' O ' ' A' ' 585' ' ' GLN . 10.6 pttt -57.54 -31.75 66.41 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 178.378 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 589' ' ' ARG . . . . . 0.421 ' CB ' ' O ' ' A' ' 586' ' ' ARG . 0.0 OUTLIER -48.76 -29.32 4.38 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 114.837 -1.074 . . . . 0.0 110.842 179.413 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 590' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -114.58 26.18 10.41 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.852 179.95 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 591' ' ' HIS . . . . . 0.461 ' HB2' ' HA ' ' A' ' 588' ' ' LYS . 1.2 t-80 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.891 -179.895 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 566' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.834 0.264 . . . . 0.0 112.333 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 567' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -106.15 107.09 17.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.698 179.898 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 568' ' ' MET . . . . . 0.423 ' CB ' ' HA ' ' A' ' 577' ' ' ARG . 9.2 ptt? -112.02 134.04 53.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.028 -179.831 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 569' ' ' CYS . . . . . 0.567 ' HA ' HD23 ' A' ' 584' ' ' LEU . 0.5 OUTLIER -53.57 124.41 14.93 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.218 179.766 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 14.7 p -94.56 35.93 1.19 Allowed 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 112.122 0.415 . . . . 0.0 112.122 -178.557 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 571' ' ' TRP . . . . . 0.506 ' CD1' ' CE1' ' A' ' 591' ' ' HIS . 1.2 m-90 -61.47 173.79 0.86 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.725 0.298 . . . . 0.0 110.777 179.64 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 4.9 m -53.22 -46.94 69.31 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.193 -179.785 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 573' ' ' TYR . . . . . . . . . . . . . 13.0 p90 -166.64 76.05 0.18 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.6 179.85 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 574' ' ' CYS . . . . . 0.424 ' HB2' ' CE1' ' A' ' 591' ' ' HIS . 53.6 t -97.75 -50.3 4.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.103 -179.619 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . 74.03 52.88 7.47 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.663 -0.78 . . . . 0.0 112.402 -179.865 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 576' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -152.05 115.37 4.75 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.808 0.337 . . . . 0.0 110.803 179.887 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 577' ' ' ARG . . . . . 0.423 ' HA ' ' CB ' ' A' ' 568' ' ' MET . 25.8 mtp85 -94.42 154.99 17.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.132 -179.835 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 578' ' ' PHE . . . . . 0.48 ' CD1' ' HG2' ' A' ' 583' ' ' GLU . 5.4 m-85 -139.66 163.92 31.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.123 179.992 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 579' ' ' THR . . . . . . . . . . . . . 24.4 m -105.45 -7.45 18.71 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.58 -179.9 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 580' ' ' ARG . . . . . . . . . . . . . 3.8 mmt-85 -135.5 137.12 41.81 Favored 'General case' 0 N--CA 1.456 -0.147 0 CA-C-O 120.876 0.369 . . . . 0.0 111.01 -179.787 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 581' ' ' SER . . . . . . . . . . . . . 88.4 p -60.83 -34.16 74.15 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.543 179.76 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -54.19 -39.24 66.46 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.07 179.918 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 583' ' ' GLU . . . . . 0.519 ' O ' ' HB3' ' A' ' 587' ' ' HIS . 7.2 tp10 -55.29 -55.3 32.99 Favored 'General case' 0 CA--C 1.508 -0.639 0 CA-C-O 121.133 0.492 . . . . 0.0 110.677 179.557 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 584' ' ' LEU . . . . . 0.567 HD23 ' HA ' ' A' ' 569' ' ' CYS . 6.5 mp -54.31 -35.72 62.94 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.544 -179.073 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 585' ' ' GLN . . . . . 0.466 ' O ' ' HG2' ' A' ' 588' ' ' LYS . 23.8 mm-40 -62.27 -56.83 14.72 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 179.582 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 586' ' ' ARG . . . . . 0.568 ' O ' ' HB3' ' A' ' 589' ' ' ARG . 0.5 OUTLIER -73.73 -42.37 61.24 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 113.1 0.778 . . . . 0.0 113.1 179.953 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 587' ' ' HIS . . . . . 0.519 ' HB3' ' O ' ' A' ' 583' ' ' GLU . 0.0 OUTLIER -57.43 -33.57 68.05 Favored 'General case' 0 CA--C 1.52 -0.19 0 C-N-CA 120.511 -0.476 . . . . 0.0 110.47 -178.174 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 588' ' ' LYS . . . . . 0.466 ' HG2' ' O ' ' A' ' 585' ' ' GLN . 0.3 OUTLIER -53.3 -27.36 22.56 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.047 178.838 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 589' ' ' ARG . . . . . 0.568 ' HB3' ' O ' ' A' ' 586' ' ' ARG . 0.0 OUTLIER -44.96 -31.15 1.18 Allowed 'General case' 0 N--CA 1.462 0.149 0 CA-C-N 115.505 -0.771 . . . . 0.0 110.87 -179.097 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 590' ' ' THR . . . . . 0.447 HG22 ' O ' ' A' ' 587' ' ' HIS . 14.9 t -107.97 34.9 3.34 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.901 179.919 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 591' ' ' HIS . . . . . 0.506 ' CE1' ' CD1' ' A' ' 571' ' ' TRP . 0.1 OUTLIER . . . . . 0 C--N 1.327 -0.383 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.839 -179.929 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 566' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo . . . . . 0 N--CA 1.463 -0.298 0 CA-C-O 120.737 0.224 . . . . 0.0 112.647 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 567' ' ' PHE . . . . . . . . . . . . . 58.4 m-85 -103.58 91.0 3.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.689 179.754 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 568' ' ' MET . . . . . 0.468 ' HB3' ' CG ' ' A' ' 577' ' ' ARG . 0.0 OUTLIER -119.36 145.49 46.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.322 -179.806 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 569' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -64.98 133.68 52.26 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 179.217 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 76.4 p -84.58 36.21 0.59 Allowed 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 113.245 0.832 . . . . 0.0 113.245 -177.807 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 571' ' ' TRP . . . . . 0.566 ' CZ2' ' HB2' ' A' ' 588' ' ' LYS . 0.5 OUTLIER -68.16 -177.3 0.84 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.818 0.342 . . . . 0.0 110.84 179.453 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 2.6 p -61.07 -45.17 95.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.868 179.95 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 573' ' ' TYR . . . . . . . . . . . . . 16.5 t80 -163.62 72.08 0.27 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.947 179.92 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 574' ' ' CYS . . . . . . . . . . . . . 15.4 t -91.67 -50.03 5.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.708 179.91 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . 66.23 12.52 58.28 Favored Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 120.931 -0.652 . . . . 0.0 113.103 179.69 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 576' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -95.41 101.17 12.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.815 0.34 . . . . 0.0 110.888 179.94 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 577' ' ' ARG . . . . . 0.468 ' CG ' ' HB3' ' A' ' 568' ' ' MET . 12.8 mtm105 -89.59 141.89 28.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.985 -179.926 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 578' ' ' PHE . . . . . 0.561 ' CD2' ' HB3' ' A' ' 583' ' ' GLU . 14.8 m-85 -128.39 163.89 23.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.036 -179.854 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 579' ' ' THR . . . . . . . . . . . . . 24.2 m -92.18 -6.37 50.78 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.529 -179.916 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 580' ' ' ARG . . . . . . . . . . . . . 3.0 mmm180 -142.02 137.15 30.91 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.809 0.338 . . . . 0.0 110.883 -179.777 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 581' ' ' SER . . . . . 0.612 ' HA ' HD23 ' A' ' 584' ' ' LEU . 0.3 OUTLIER -57.46 -37.31 72.66 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.492 179.837 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 582' ' ' ASP . . . . . 0.429 ' HA ' ' NE2' ' A' ' 585' ' ' GLN . 0.8 OUTLIER -52.75 -35.73 56.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.438 179.995 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 583' ' ' GLU . . . . . 0.561 ' HB3' ' CD2' ' A' ' 578' ' ' PHE . 10.6 tp10 -55.58 -56.37 21.14 Favored 'General case' 0 CA--C 1.509 -0.613 0 CA-C-O 120.95 0.405 . . . . 0.0 111.205 -179.813 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 584' ' ' LEU . . . . . 0.612 HD23 ' HA ' ' A' ' 581' ' ' SER . 0.7 OUTLIER -56.36 -33.0 65.25 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.14 -179.238 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 585' ' ' GLN . . . . . 0.461 ' NE2' ' O ' ' A' ' 581' ' ' SER . 0.0 OUTLIER -63.5 -55.25 25.54 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.084 0.468 . . . . 0.0 109.904 179.199 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 586' ' ' ARG . . . . . 0.445 ' HG3' ' N ' ' A' ' 587' ' ' HIS . 4.8 ptm180 -72.53 -39.74 67.31 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.81 -0.632 . . . . 0.0 112.022 179.826 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 587' ' ' HIS . . . . . 0.551 ' HB3' ' O ' ' A' ' 583' ' ' GLU . 0.0 OUTLIER -64.57 -47.24 79.47 Favored 'General case' 0 CA--C 1.52 -0.188 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 -179.886 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 588' ' ' LYS . . . . . 0.566 ' HB2' ' CZ2' ' A' ' 571' ' ' TRP . 0.0 OUTLIER -65.39 -30.68 71.52 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-O 121.445 0.64 . . . . 0.0 109.358 178.485 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 589' ' ' ARG . . . . . 0.442 ' N ' ' HG3' ' A' ' 588' ' ' LYS . 0.1 OUTLIER -46.65 -29.86 2.05 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.003 -0.999 . . . . 0.0 111.145 179.88 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 590' ' ' THR . . . . . . . . . . . . . 5.0 t -128.93 39.23 3.82 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.857 -179.909 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 591' ' ' HIS . . . . . 0.511 ' CD2' ' CE1' ' A' ' 587' ' ' HIS . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.67 -179.786 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 566' ' ' PRO . . . . . 0.412 ' HD2' ' CE2' ' A' ' 567' ' ' PHE . 87.8 Cg_endo . . . . . 0 N--CA 1.464 -0.218 0 N-CA-C 112.742 0.247 . . . . 0.0 112.742 . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 567' ' ' PHE . . . . . 0.797 ' HB3' HD11 ' A' ' 584' ' ' LEU . 8.1 m-85 -129.39 104.7 7.64 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.645 179.795 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 568' ' ' MET . . . . . . . . . . . . . 23.9 ptt? -144.22 117.06 8.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.843 0.354 . . . . 0.0 111.233 -179.82 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 569' ' ' CYS . . . . . 0.79 ' HB2' HD23 ' A' ' 584' ' ' LEU . 2.1 t -91.39 13.66 16.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.756 179.66 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 570' ' ' THR . . . . . 0.824 HG22 ' H ' ' A' ' 576' ' ' LYS . 4.0 p -72.72 51.74 0.28 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.53 -0.305 . . . . 0.0 110.592 179.514 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 571' ' ' TRP . . . . . 0.518 ' NE1' ' HB2' ' A' ' 574' ' ' CYS . 0.0 OUTLIER -44.75 -98.97 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 111.778 0.288 . . . . 0.0 111.778 -179.519 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 34.1 t -90.88 -46.82 7.97 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-O 120.658 0.266 . . . . 0.0 111.134 -179.739 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 573' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -154.81 52.89 0.64 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.434 -179.736 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 574' ' ' CYS . . . . . 0.518 ' HB2' ' NE1' ' A' ' 571' ' ' TRP . 0.0 OUTLIER -90.55 -42.08 11.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.909 0.385 . . . . 0.0 110.157 179.494 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . 56.64 67.87 1.99 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.986 -0.626 . . . . 0.0 113.225 179.475 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 576' ' ' LYS . . . . . 0.824 ' H ' HG22 ' A' ' 570' ' ' THR . 2.4 mttp -169.39 114.16 0.54 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.844 0.354 . . . . 0.0 110.831 179.503 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 26.0 mtt-85 -89.37 163.47 15.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.509 179.945 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 578' ' ' PHE . . . . . 0.448 ' CE2' ' HG2' ' A' ' 583' ' ' GLU . 91.6 m-85 -148.39 160.55 42.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.066 0.46 . . . . 0.0 111.502 -179.596 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 579' ' ' THR . . . . . 0.413 ' O ' ' CE2' ' A' ' 567' ' ' PHE . 58.7 m -110.91 -11.68 14.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.095 179.821 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 580' ' ' ARG . . . . . . . . . . . . . 13.4 mmt-85 -128.23 137.13 51.88 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.851 0.358 . . . . 0.0 110.628 179.892 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 581' ' ' SER . . . . . . . . . . . . . 3.5 p -65.43 -30.08 70.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 -179.997 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 582' ' ' ASP . . . . . 0.409 ' HA ' ' HG2' ' A' ' 585' ' ' GLN . 0.4 OUTLIER -65.02 -35.63 81.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.269 -179.845 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 583' ' ' GLU . . . . . 0.464 ' O ' ' HB3' ' A' ' 587' ' ' HIS . 2.6 tt0 -55.25 -55.1 35.16 Favored 'General case' 0 CA--C 1.511 -0.543 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.169 -179.921 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 584' ' ' LEU . . . . . 0.797 HD11 ' HB3' ' A' ' 567' ' ' PHE . 2.3 mp -54.4 -33.45 59.35 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.166 -179.463 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 585' ' ' GLN . . . . . 0.428 ' O ' ' HG3' ' A' ' 588' ' ' LYS . 21.7 mm-40 -62.24 -56.36 19.38 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.533 -0.467 . . . . 0.0 109.864 179.147 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 586' ' ' ARG . . . . . . . . . . . . . 2.7 ptp180 -72.86 -42.3 63.86 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.847 -0.615 . . . . 0.0 112.343 179.792 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 587' ' ' HIS . . . . . 0.464 ' HB3' ' O ' ' A' ' 583' ' ' GLU . 0.1 OUTLIER -62.91 -47.57 82.69 Favored 'General case' 0 CA--C 1.521 -0.156 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 -179.393 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 588' ' ' LYS . . . . . 0.441 ' HA ' ' HB2' ' A' ' 591' ' ' HIS . 0.0 OUTLIER -61.7 -31.41 71.55 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 178.323 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 589' ' ' ARG . . . . . 0.433 ' N ' ' HG3' ' A' ' 588' ' ' LYS . 0.0 OUTLIER -48.12 -29.67 3.85 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 114.865 -1.061 . . . . 0.0 111.02 179.539 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 590' ' ' THR . . . . . . . . . . . . . 4.5 t -121.31 34.18 5.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.866 -179.983 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 591' ' ' HIS . . . . . 0.441 ' HB2' ' HA ' ' A' ' 588' ' ' LYS . 1.8 t-80 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.929 -179.895 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 566' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo . . . . . 0 N--CA 1.462 -0.355 0 CA-C-O 120.772 0.238 . . . . 0.0 112.571 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 567' ' ' PHE . . . . . . . . . . . . . 61.7 m-85 -129.33 111.3 12.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.857 179.953 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 568' ' ' MET . . . . . . . . . . . . . 3.7 ptt? -147.38 111.16 5.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.192 -179.941 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 569' ' ' CYS . . . . . 0.565 ' HB3' HD23 ' A' ' 584' ' ' LEU . 0.5 OUTLIER -58.39 131.97 52.27 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.238 179.556 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 14.5 p -130.68 40.08 3.54 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 111.904 0.335 . . . . 0.0 111.904 -179.28 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 571' ' ' TRP . . . . . 0.639 ' CZ2' ' HB3' ' A' ' 588' ' ' LYS . 2.3 m95 -54.03 -99.86 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 120.918 -0.313 . . . . 0.0 110.92 179.85 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 572' ' ' SER . . . . . 0.483 ' H ' ' HB2' ' A' ' 571' ' ' TRP . 0.4 OUTLIER -102.24 -47.15 4.6 Favored 'General case' 0 C--O 1.231 0.09 0 CA-C-O 120.921 0.391 . . . . 0.0 111.0 179.793 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 573' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -179.2 79.83 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.736 -179.934 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 574' ' ' CYS . . . . . 0.455 ' HB3' ' SG ' ' A' ' 569' ' ' CYS . 34.8 t -101.48 -50.25 3.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.803 -179.907 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . 68.41 58.95 6.61 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.558 -179.95 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 576' ' ' LYS . . . . . . . . . . . . . 4.3 mtpp -154.36 124.81 6.96 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.913 0.387 . . . . 0.0 111.019 179.852 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 60.3 mtt-85 -89.56 163.43 15.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.82 179.961 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 578' ' ' PHE . . . . . 0.492 ' CD2' ' HB3' ' A' ' 583' ' ' GLU . 1.8 m-85 -138.48 163.98 30.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.13 -179.945 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 579' ' ' THR . . . . . . . . . . . . . 4.1 m -99.14 -7.94 25.9 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.629 -179.748 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 580' ' ' ARG . . . . . . . . . . . . . 3.0 mmt180 -146.72 137.12 23.73 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.854 0.359 . . . . 0.0 111.133 -179.82 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 581' ' ' SER . . . . . 0.687 ' HA ' HD12 ' A' ' 584' ' ' LEU . 0.2 OUTLIER -59.67 -31.68 69.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.546 179.737 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -56.12 -37.56 69.6 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.912 179.879 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 583' ' ' GLU . . . . . 0.581 ' O ' ' HB3' ' A' ' 587' ' ' HIS . 3.1 tt0 -55.41 -55.29 33.32 Favored 'General case' 0 CA--C 1.509 -0.633 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.82 179.625 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 584' ' ' LEU . . . . . 0.687 HD12 ' HA ' ' A' ' 581' ' ' SER . 0.4 OUTLIER -54.41 -33.12 58.76 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.475 -179.47 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 585' ' ' GLN . . . . . . . . . . . . . 24.9 mm-40 -65.11 -56.87 10.47 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.408 -0.517 . . . . 0.0 109.956 179.59 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 586' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.25 -37.98 66.15 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.728 -0.669 . . . . 0.0 112.717 179.924 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 587' ' ' HIS . . . . . 0.581 ' HB3' ' O ' ' A' ' 583' ' ' GLU . 0.2 OUTLIER -67.3 -34.76 78.04 Favored 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 -179.424 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 588' ' ' LYS . . . . . 0.639 ' HB3' ' CZ2' ' A' ' 571' ' ' TRP . 0.0 OUTLIER -68.34 -31.33 70.66 Favored 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 108.52 -0.919 . . . . 0.0 108.52 177.553 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 589' ' ' ARG . . . . . 0.52 ' N ' ' HG3' ' A' ' 588' ' ' LYS . 0.0 OUTLIER -55.06 -28.54 53.13 Favored 'General case' 0 N--CA 1.456 -0.167 0 CA-C-N 114.593 -1.185 . . . . 0.0 111.186 179.835 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 590' ' ' THR . . . . . . . . . . . . . 7.1 t -128.69 35.89 4.3 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.146 -179.715 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 591' ' ' HIS . . . . . 0.425 ' HE2' ' HG ' ' A' ' 574' ' ' CYS . 4.5 t-80 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.507 179.73 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 566' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo . . . . . 0 N--CA 1.464 -0.264 0 N-CA-C 112.853 0.289 . . . . 0.0 112.853 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 567' ' ' PHE . . . . . . . . . . . . . 53.6 m-85 -129.35 90.98 3.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.475 -0.329 . . . . 0.0 110.824 179.801 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 568' ' ' MET . . . . . . . . . . . . . 1.5 ptp -136.08 133.13 37.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.959 -179.888 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 569' ' ' CYS . . . . . 0.43 ' N ' ' CD2' ' A' ' 584' ' ' LEU . 0.5 OUTLIER -61.53 132.92 54.92 Favored 'General case' 0 CA--C 1.532 0.277 0 N-CA-C 109.765 -0.457 . . . . 0.0 109.765 179.635 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 68.5 p -85.18 39.46 0.77 Allowed 'General case' 0 N--CA 1.464 0.241 0 N-CA-C 112.903 0.705 . . . . 0.0 112.903 -178.135 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 571' ' ' TRP . . . . . 0.508 ' CZ2' ' HB2' ' A' ' 588' ' ' LYS . 0.8 OUTLIER -72.39 -176.92 2.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.906 0.384 . . . . 0.0 111.069 179.624 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 13.1 m -88.26 -34.38 17.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.191 -179.742 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 573' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -157.23 52.47 0.48 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.85 0.357 . . . . 0.0 111.356 -179.783 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 574' ' ' CYS . . . . . . . . . . . . . 47.9 t -86.3 -44.14 12.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.523 179.648 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . 56.43 54.71 34.05 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.653 179.831 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 576' ' ' LYS . . . . . 0.432 ' HD2' ' CZ ' ' A' ' 578' ' ' PHE . 0.7 OUTLIER -145.23 115.11 7.36 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-O 120.798 0.332 . . . . 0.0 110.976 179.865 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 3.3 mtt180 -89.46 163.63 15.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.548 179.844 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 578' ' ' PHE . . . . . 0.446 ' CE1' HD23 ' A' ' 584' ' ' LEU . 64.0 m-85 -139.6 163.77 31.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.131 0.491 . . . . 0.0 111.804 -179.174 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 579' ' ' THR . . . . . . . . . . . . . 60.8 m -108.32 -9.76 15.43 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.925 179.577 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 580' ' ' ARG . . . . . . . . . . . . . 15.9 mmm180 -146.0 137.13 24.63 Favored 'General case' 0 N--CA 1.456 -0.164 0 CA-C-O 120.786 0.327 . . . . 0.0 110.662 179.943 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 581' ' ' SER . . . . . 0.762 ' HA ' HD12 ' A' ' 584' ' ' LEU . 0.4 OUTLIER -56.97 -30.19 63.89 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.891 -179.953 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -55.95 -40.51 73.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.339 -179.789 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 583' ' ' GLU . . . . . 0.478 ' O ' ' HB3' ' A' ' 587' ' ' HIS . 4.2 tp10 -55.35 -53.22 58.9 Favored 'General case' 0 CA--C 1.51 -0.592 0 CA-C-O 120.824 0.345 . . . . 0.0 111.028 179.916 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 584' ' ' LEU . . . . . 0.762 HD12 ' HA ' ' A' ' 581' ' ' SER . 0.7 OUTLIER -53.98 -32.97 55.71 Favored 'General case' 0 C--N 1.318 -0.773 0 C-N-CA 120.565 -0.454 . . . . 0.0 110.944 -179.463 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 585' ' ' GLN . . . . . 0.452 ' O ' ' HG2' ' A' ' 588' ' ' LYS . 20.7 mm-40 -65.15 -55.66 17.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.168 0.509 . . . . 0.0 109.816 178.863 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 586' ' ' ARG . . . . . 0.47 ' HA ' ' HB2' ' A' ' 589' ' ' ARG . 0.0 OUTLIER -72.74 -40.78 65.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.725 -0.67 . . . . 0.0 112.403 179.971 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 587' ' ' HIS . . . . . 0.53 ' CE1' ' CD2' ' A' ' 591' ' ' HIS . 0.1 OUTLIER -64.83 -45.42 86.23 Favored 'General case' 0 CA--C 1.521 -0.135 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 -179.567 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 588' ' ' LYS . . . . . 0.508 ' HB2' ' CZ2' ' A' ' 571' ' ' TRP . 13.9 ptmt -66.42 -32.04 73.17 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 178.123 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 589' ' ' ARG . . . . . 0.47 ' HB2' ' HA ' ' A' ' 586' ' ' ARG . 0.4 OUTLIER -46.54 -29.03 1.6 Allowed 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 114.885 -1.052 . . . . 0.0 111.221 179.834 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 590' ' ' THR . . . . . . . . . . . . . 4.5 t -130.14 44.51 2.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.707 -179.914 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 591' ' ' HIS . . . . . 0.685 ' O ' ' CG ' ' A' ' 591' ' ' HIS . 1.5 t60 . . . . . 0 CA--C 1.534 0.361 0 CA-C-O 121.298 0.57 . . . . 0.0 110.661 -179.477 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 566' ' ' PRO . . . . . . . . . . . . . 94.0 Cg_endo . . . . . 0 N--CA 1.461 -0.392 0 N-CA-C 112.795 0.267 . . . . 0.0 112.795 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' A' A ' 567' ' ' PHE . . . . . 0.814 ' HB3' HD11 ' A' ' 584' ' ' LEU . 11.6 m-85 -129.54 107.14 9.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.549 179.729 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 568' ' ' MET . . . . . . . . . . . . . 11.9 ptt? -147.45 104.79 3.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.857 0.361 . . . . 0.0 111.249 -179.839 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 569' ' ' CYS . . . . . 0.604 ' HB2' HD23 ' A' ' 584' ' ' LEU . 1.7 t -72.3 100.47 2.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.654 179.71 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 17.3 p -131.46 49.75 2.29 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.503 179.258 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 571' ' ' TRP . . . . . 0.508 ' CE2' ' SG ' ' A' ' 569' ' ' CYS . 3.2 m95 -40.15 -86.53 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 120.323 -0.551 . . . . 0.0 111.02 -179.217 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 572' ' ' SER . . . . . 0.459 ' H ' ' HB2' ' A' ' 571' ' ' TRP . 1.2 m -103.43 -47.14 4.37 Favored 'General case' 0 C--N 1.333 -0.11 0 CA-C-O 120.886 0.374 . . . . 0.0 110.975 179.811 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 573' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -163.88 60.47 0.16 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.003 -179.686 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 574' ' ' CYS . . . . . . . . . . . . . 22.9 t -84.51 -49.38 8.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.626 179.859 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . 63.01 67.0 2.25 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.444 -179.962 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 576' ' ' LYS . . . . . . . . . . . . . 4.0 tttt -166.63 122.54 1.2 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.865 0.364 . . . . 0.0 110.929 179.909 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 9.0 mtt180 -89.92 163.53 14.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.986 -179.914 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 578' ' ' PHE . . . . . 0.454 ' CD1' ' HG2' ' A' ' 583' ' ' GLU . 35.1 m-85 -138.33 163.48 31.73 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.904 -179.875 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 579' ' ' THR . . . . . . . . . . . . . 7.4 m -114.2 -9.87 12.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.306 179.924 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 580' ' ' ARG . . . . . . . . . . . . . 3.8 mmt85 -138.44 137.11 36.89 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.837 0.351 . . . . 0.0 110.943 -180.0 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 581' ' ' SER . . . . . . . . . . . . . 7.3 t -60.29 -39.02 85.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.76 179.799 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -53.92 -35.92 62.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.236 179.984 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 583' ' ' GLU . . . . . 0.61 ' O ' ' HB3' ' A' ' 587' ' ' HIS . 3.9 tp10 -55.52 -56.16 23.55 Favored 'General case' 0 CA--C 1.511 -0.539 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.107 179.998 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 584' ' ' LEU . . . . . 0.814 HD11 ' HB3' ' A' ' 567' ' ' PHE . 2.4 mp -56.7 -33.2 66.24 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.321 -179.576 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 585' ' ' GLN . . . . . 0.521 ' O ' ' HG2' ' A' ' 588' ' ' LYS . 0.2 OUTLIER -61.4 -56.74 16.95 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.113 0.482 . . . . 0.0 110.034 179.398 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 586' ' ' ARG . . . . . . . . . . . . . 2.4 ptp180 -74.98 -40.67 60.59 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.906 -0.588 . . . . 0.0 112.172 179.65 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 587' ' ' HIS . . . . . 0.61 ' HB3' ' O ' ' A' ' 583' ' ' GLU . 0.9 OUTLIER -64.03 -44.7 91.74 Favored 'General case' 0 N--CA 1.456 -0.168 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 -179.23 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 588' ' ' LYS . . . . . 0.521 ' HG2' ' O ' ' A' ' 585' ' ' GLN . 44.5 pttt -61.95 -32.21 72.62 Favored 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 177.848 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 589' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -48.83 -27.15 2.82 Favored 'General case' 0 C--O 1.231 0.108 0 CA-C-N 114.656 -1.156 . . . . 0.0 111.431 179.797 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 590' ' ' THR . . . . . . . . . . . . . 3.7 t -124.75 44.08 2.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.976 -179.705 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 591' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.145 -179.959 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 565' ' ' ARG . . . . . 0.766 ' HG2' HG23 ' A' ' 579' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.525 0.203 . . . . 0.0 111.09 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 566' ' ' PRO . . . . . 0.41 ' HD2' ' CE2' ' A' ' 567' ' ' PHE . 93.6 Cg_endo -83.22 46.91 2.24 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.673 2.249 . . . . 0.0 112.834 -179.771 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 567' ' ' PHE . . . . . 0.41 ' CE2' ' HD2' ' A' ' 566' ' ' PRO . 12.5 m-85 -129.41 91.21 3.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.68 179.8 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 568' ' ' MET . . . . . . . . . . . . . 3.9 mtt -129.34 133.24 47.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.168 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 569' ' ' CYS . . . . . 0.422 ' HA ' HD22 ' A' ' 584' ' ' LEU . 7.4 p -66.81 146.13 54.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.111 179.478 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 77.6 p -73.13 -28.02 62.02 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.641 -179.182 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 571' ' ' TRP . . . . . 0.44 ' CE3' ' HD3' ' A' ' 588' ' ' LYS . 2.8 m-90 -56.39 103.83 0.12 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.818 0.342 . . . . 0.0 110.941 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 48.9 m -60.35 -46.27 90.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.905 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 573' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -59.29 -27.74 66.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 574' ' ' CYS . . . . . 0.434 ' HB2' ' CE1' ' A' ' 591' ' ' HIS . 49.5 t -59.07 -50.21 74.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.993 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . 53.71 59.85 9.16 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.406 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 576' ' ' LYS . . . . . 0.407 ' HD3' ' CZ ' ' A' ' 578' ' ' PHE . 1.0 OUTLIER -155.44 126.66 7.17 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-O 120.873 0.368 . . . . 0.0 110.96 -179.826 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.51 163.57 15.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.739 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 578' ' ' PHE . . . . . 0.407 ' CZ ' ' HD3' ' A' ' 576' ' ' LYS . 25.3 m-85 -134.27 163.76 28.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.17 -179.677 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 579' ' ' THR . . . . . 0.766 HG23 ' HG2' ' A' ' 565' ' ' ARG . 14.1 m -111.62 -15.65 13.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.303 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 580' ' ' ARG . . . . . . . . . . . . . 17.1 mmt180 -127.57 137.15 52.51 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.872 0.368 . . . . 0.0 110.789 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 581' ' ' SER . . . . . 0.43 ' HA ' HD12 ' A' ' 584' ' ' LEU . 94.2 p -62.97 -38.88 92.88 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.65 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -55.81 -36.84 67.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.456 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 583' ' ' GLU . . . . . 0.545 ' O ' ' HB3' ' A' ' 587' ' ' HIS . 3.0 tp10 -55.35 -55.42 31.75 Favored 'General case' 0 CA--C 1.511 -0.525 0 CA-C-O 120.884 0.373 . . . . 0.0 111.029 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 584' ' ' LEU . . . . . 0.49 ' O ' ' HB2' ' A' ' 588' ' ' LYS . 1.3 mt -56.39 -36.92 69.43 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.54 -179.446 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 585' ' ' GLN . . . . . . . . . . . . . 26.2 mm-40 -59.4 -56.36 23.01 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.06 0.457 . . . . 0.0 109.969 179.441 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 586' ' ' ARG . . . . . 0.488 ' HG3' ' N ' ' A' ' 587' ' ' HIS . 9.9 ptm180 -72.68 -42.21 64.53 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.658 -0.701 . . . . 0.0 112.46 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 587' ' ' HIS . . . . . 0.545 ' HB3' ' O ' ' A' ' 583' ' ' GLU . 0.1 OUTLIER -64.47 -50.39 67.67 Favored 'General case' 0 CA--C 1.522 -0.127 0 N-CA-C 109.735 -0.468 . . . . 0.0 109.735 -179.425 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 588' ' ' LYS . . . . . 0.49 ' HB2' ' O ' ' A' ' 584' ' ' LEU . 7.4 mttp -62.57 -28.41 69.86 Favored 'General case' 0 N--CA 1.454 -0.267 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 178.145 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 589' ' ' ARG . . . . . 0.441 ' HB2' ' HA ' ' A' ' 586' ' ' ARG . 0.0 OUTLIER -48.22 -27.48 2.47 Favored 'General case' 0 C--O 1.231 0.119 0 CA-C-N 115.295 -0.866 . . . . 0.0 111.348 179.764 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 590' ' ' THR . . . . . . . . . . . . . 9.8 t -127.34 23.87 6.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.494 -179.582 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 591' ' ' HIS . . . . . 0.434 ' CE1' ' HB2' ' A' ' 574' ' ' CYS . 0.3 OUTLIER -67.88 -29.19 68.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.779 0.323 . . . . 0.0 110.741 179.817 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 592' ' ' THR . . . . . . . . . . . . . 2.6 p -151.98 159.62 43.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.915 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 593' ' ' GLY . . . . . . . . . . . . . . . 59.25 -118.98 16.01 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.544 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 594' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -163.35 -44.68 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.859 0.361 . . . . 0.0 110.945 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 595' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.248 1.025 0 CA-C-O 118.217 -0.897 . . . . 0.0 110.898 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 565' ' ' ARG . . . . . 0.486 ' N ' ' HD2' ' A' ' 566' ' ' PRO . 13.4 ttt180 . . . . . 0 N--CA 1.49 1.529 0 N-CA-C 111.816 0.302 . . . . 0.0 111.816 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 566' ' ' PRO . . . . . 0.486 ' HD2' ' N ' ' A' ' 565' ' ' ARG . 56.6 Cg_endo -70.65 62.78 2.29 Favored 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 122.071 1.847 . . . . 0.0 112.442 -179.77 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 567' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -129.24 111.07 12.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.63 179.682 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 568' ' ' MET . . . . . . . . . . . . . 2.2 ttp -132.91 126.93 33.21 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.069 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 569' ' ' CYS . . . . . 0.493 ' CA ' HD22 ' A' ' 584' ' ' LEU . 8.5 p -62.26 146.52 50.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.254 179.598 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 36.7 p -73.09 -20.46 60.95 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.727 -179.257 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 571' ' ' TRP . . . . . 0.666 ' HZ2' HG23 ' A' ' 592' ' ' THR . 1.2 m-90 -56.48 152.24 11.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.792 0.33 . . . . 0.0 110.936 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -101.52 -32.51 10.35 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.612 -179.347 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 573' ' ' TYR . . . . . . . . . . . . . 50.6 p90 -94.82 26.67 3.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.727 0.299 . . . . 0.0 111.419 -179.734 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 574' ' ' CYS . . . . . 0.409 ' HB2' ' CE1' ' A' ' 591' ' ' HIS . 53.9 t -101.65 -50.23 3.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.839 0.352 . . . . 0.0 110.63 179.637 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . 51.96 52.63 34.13 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.966 -0.635 . . . . 0.0 112.781 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 576' ' ' LYS . . . . . . . . . . . . . 2.2 mtpp -145.98 129.66 17.08 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-O 120.84 0.352 . . . . 0.0 111.058 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 5.5 mtt85 -89.52 163.46 15.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.532 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 578' ' ' PHE . . . . . 0.588 ' CD1' HD21 ' A' ' 584' ' ' LEU . 49.8 m-85 -135.54 163.7 29.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.982 0.42 . . . . 0.0 111.303 -179.575 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 579' ' ' THR . . . . . . . . . . . . . 29.7 m -113.62 -15.55 12.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.154 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 580' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -129.23 137.08 50.89 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.779 0.323 . . . . 0.0 110.73 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 581' ' ' SER . . . . . 0.444 ' O ' ' NE2' ' A' ' 585' ' ' GLN . 0.0 OUTLIER -62.95 -43.95 97.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.8 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 582' ' ' ASP . . . . . 0.428 ' HA ' ' NE2' ' A' ' 585' ' ' GLN . 0.4 OUTLIER -52.63 -35.63 55.06 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.215 -179.804 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 583' ' ' GLU . . . . . 0.5 ' O ' ' HB3' ' A' ' 587' ' ' HIS . 3.1 tp10 -55.33 -55.33 32.78 Favored 'General case' 0 CA--C 1.511 -0.529 0 CA-C-O 120.904 0.383 . . . . 0.0 110.956 179.81 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 584' ' ' LEU . . . . . 0.588 HD21 ' CD1' ' A' ' 578' ' ' PHE . 13.0 mt -55.68 -39.36 70.89 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.481 -179.391 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 585' ' ' GLN . . . . . 0.444 ' NE2' ' O ' ' A' ' 581' ' ' SER . 0.0 OUTLIER -56.59 -55.64 31.37 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.18 0.514 . . . . 0.0 109.844 179.562 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 586' ' ' ARG . . . . . 0.453 ' HA ' ' HB2' ' A' ' 589' ' ' ARG . 13.3 mtt180 -72.57 -45.83 57.32 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.543 -0.753 . . . . 0.0 112.223 179.77 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 587' ' ' HIS . . . . . 0.5 ' HB3' ' O ' ' A' ' 583' ' ' GLU . 0.1 OUTLIER -60.73 -50.53 73.1 Favored 'General case' 0 CA--C 1.521 -0.171 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 -179.506 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 588' ' ' LYS . . . . . 0.495 ' HB2' ' O ' ' A' ' 584' ' ' LEU . 4.1 mttp -60.73 -28.46 68.69 Favored 'General case' 0 N--CA 1.452 -0.325 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 178.007 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 589' ' ' ARG . . . . . 0.453 ' HB2' ' HA ' ' A' ' 586' ' ' ARG . 0.3 OUTLIER -55.22 -31.51 61.54 Favored 'General case' 0 N--CA 1.457 -0.118 0 CA-C-N 115.294 -0.866 . . . . 0.0 111.035 179.552 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 590' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -111.42 9.22 21.43 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.474 -179.789 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 591' ' ' HIS . . . . . 0.466 ' HB2' ' HA ' ' A' ' 588' ' ' LYS . 0.2 OUTLIER -63.75 -49.81 71.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.792 0.33 . . . . 0.0 110.927 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 592' ' ' THR . . . . . 0.666 HG23 ' HZ2' ' A' ' 571' ' ' TRP . 24.2 p -80.32 -66.46 0.88 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.919 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 593' ' ' GLY . . . . . . . . . . . . . . . 135.32 134.41 3.36 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.538 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 594' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 62.29 -80.25 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.737 0.303 . . . . 0.0 111.024 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 595' ' ' LYS . . . . . . . . . . . . . 1.7 tttm . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.25 -0.881 . . . . 0.0 110.887 -179.987 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 565' ' ' ARG . . . . . 0.423 ' O ' ' HA ' ' A' ' 579' ' ' THR . 7.6 mtm-85 . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.76 0.314 . . . . 0.0 111.162 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 566' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo -65.06 103.72 0.52 Allowed 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 122.615 2.21 . . . . 0.0 112.551 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 567' ' ' PHE . . . . . 0.404 ' CE2' ' HB2' ' A' ' 581' ' ' SER . 8.1 m-85 -123.39 90.91 3.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.458 179.666 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 568' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -82.28 123.11 28.76 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.466 -179.448 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 569' ' ' CYS . . . . . 0.712 ' HA ' HD23 ' A' ' 584' ' ' LEU . 11.9 p -64.59 152.09 42.98 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 178.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 32.7 p -73.02 -18.6 61.32 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 111.814 0.301 . . . . 0.0 111.814 -178.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 571' ' ' TRP . . . . . 0.449 ' CZ3' ' HB2' ' A' ' 588' ' ' LYS . 2.7 m-90 -63.86 98.02 0.18 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.855 0.359 . . . . 0.0 110.658 179.568 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -53.99 -46.86 71.85 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.249 -179.768 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 573' ' ' TYR . . . . . . . . . . . . . 36.6 m-85 -55.7 -22.92 25.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.109 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 574' ' ' CYS . . . . . 0.429 ' HB2' ' CE1' ' A' ' 591' ' ' HIS . 37.1 t -79.3 -50.22 11.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.041 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . 52.41 27.57 25.7 Favored Glycine 0 C--N 1.331 0.284 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.524 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 576' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -102.92 160.19 14.83 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-O 120.891 0.377 . . . . 0.0 111.186 -179.638 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 3.0 mtm180 -114.24 163.49 15.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.542 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 578' ' ' PHE . . . . . 0.713 ' HB2' HD11 ' A' ' 584' ' ' LEU . 82.0 m-85 -141.58 163.69 32.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.977 0.418 . . . . 0.0 111.384 -179.745 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 579' ' ' THR . . . . . 0.423 ' HA ' ' O ' ' A' ' 565' ' ' ARG . 6.5 m -106.29 -11.45 16.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.15 179.804 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 580' ' ' ARG . . . . . . . . . . . . . 21.5 mmt85 -137.82 145.53 42.39 Favored 'General case' 0 N--CA 1.456 -0.152 0 CA-C-O 120.903 0.382 . . . . 0.0 110.923 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 581' ' ' SER . . . . . 0.426 ' O ' ' NE2' ' A' ' 585' ' ' GLN . 0.8 OUTLIER -68.49 -43.09 77.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.759 179.921 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 582' ' ' ASP . . . . . 0.432 ' HA ' ' NE2' ' A' ' 585' ' ' GLN . 0.8 OUTLIER -52.71 -34.86 54.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.149 -179.852 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 583' ' ' GLU . . . . . 0.532 ' O ' ' HB3' ' A' ' 587' ' ' HIS . 4.1 tp10 -55.76 -55.26 34.43 Favored 'General case' 0 CA--C 1.511 -0.533 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.822 179.68 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 584' ' ' LEU . . . . . 0.713 HD11 ' HB2' ' A' ' 578' ' ' PHE . 7.4 mp -54.87 -39.46 68.69 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.358 -179.514 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 585' ' ' GLN . . . . . 0.432 ' NE2' ' HA ' ' A' ' 582' ' ' ASP . 0.0 OUTLIER -57.69 -56.24 24.46 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.195 0.522 . . . . 0.0 110.091 179.553 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 586' ' ' ARG . . . . . 0.45 ' HA ' ' HB2' ' A' ' 589' ' ' ARG . 2.0 mtm180 -72.57 -42.61 64.45 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.486 -0.779 . . . . 0.0 112.272 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 587' ' ' HIS . . . . . 0.532 ' HB3' ' O ' ' A' ' 583' ' ' GLU . 0.1 OUTLIER -64.23 -49.24 72.71 Favored 'General case' 0 CA--C 1.521 -0.17 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 -179.575 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 588' ' ' LYS . . . . . 0.452 ' CG ' ' O ' ' A' ' 584' ' ' LEU . 0.0 OUTLIER -62.23 -29.82 70.66 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 178.088 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 589' ' ' ARG . . . . . 0.45 ' HB2' ' HA ' ' A' ' 586' ' ' ARG . 0.1 OUTLIER -49.14 -29.86 5.93 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-N 114.781 -1.099 . . . . 0.0 111.165 179.571 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 590' ' ' THR . . . . . . . . . . . . . 5.3 t -125.86 36.42 4.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.822 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 591' ' ' HIS . . . . . 0.438 ' HB2' ' HA ' ' A' ' 588' ' ' LYS . 0.3 OUTLIER -84.9 -39.95 17.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.899 -179.919 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 592' ' ' THR . . . . . 0.408 HG23 ' N ' ' A' ' 593' ' ' GLY . 9.0 t -83.84 -44.46 14.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 593' ' ' GLY . . . . . 0.408 ' N ' HG23 ' A' ' 592' ' ' THR . . . 163.84 41.03 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.583 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 594' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 57.23 97.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.793 0.33 . . . . 0.0 110.978 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 595' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.228 -0.891 . . . . 0.0 110.863 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 565' ' ' ARG . . . . . 0.487 ' HB2' ' HD3' ' A' ' 566' ' ' PRO . 8.1 mtt-85 . . . . . 0 N--CA 1.489 1.499 0 N-CA-C 111.929 0.344 . . . . 0.0 111.929 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 566' ' ' PRO . . . . . 0.487 ' HD3' ' HB2' ' A' ' 565' ' ' ARG . 83.8 Cg_endo -81.66 49.73 3.27 Favored 'Trans proline' 0 C--N 1.349 0.572 0 C-N-CA 122.346 2.031 . . . . 0.0 112.899 -179.689 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 567' ' ' PHE . . . . . 0.725 ' HB3' HD11 ' A' ' 584' ' ' LEU . 45.2 m-85 -129.4 102.92 6.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.686 179.667 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 568' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -134.45 119.11 18.13 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.149 -179.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 569' ' ' CYS . . . . . . . . . . . . . 4.1 p -60.44 137.14 58.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.1 179.514 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 72.8 p -72.96 -13.06 61.17 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 111.877 0.325 . . . . 0.0 111.877 -178.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 571' ' ' TRP . . . . . 0.431 ' CE2' ' HB3' ' A' ' 591' ' ' HIS . 4.9 m-90 -65.06 101.89 0.57 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.818 0.342 . . . . 0.0 110.848 179.819 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -57.38 -46.87 82.94 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.047 -179.821 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 573' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -55.95 -23.49 32.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.974 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 574' ' ' CYS . . . . . 0.447 ' HB2' ' CE1' ' A' ' 591' ' ' HIS . 35.6 t -74.26 -50.27 19.72 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.048 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . 52.45 57.08 14.64 Favored Glycine 0 C--N 1.33 0.238 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.477 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 576' ' ' LYS . . . . . . . . . . . . . 15.0 mttp -145.4 147.79 32.64 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-O 120.865 0.364 . . . . 0.0 111.077 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 29.6 mtt180 -102.21 163.49 12.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.603 179.706 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 578' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -138.88 160.22 40.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.928 0.394 . . . . 0.0 111.285 -179.719 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 579' ' ' THR . . . . . . . . . . . . . 60.4 m -116.55 -7.89 11.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.154 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 580' ' ' ARG . . . . . 0.459 ' HD2' ' N ' ' A' ' 580' ' ' ARG . 2.9 mpt_? -128.77 136.96 51.26 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-O 120.73 0.3 . . . . 0.0 110.69 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 581' ' ' SER . . . . . 0.444 ' O ' ' NE2' ' A' ' 585' ' ' GLN . 10.0 t -64.86 -47.56 77.46 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.749 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -52.7 -33.29 47.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.255 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 583' ' ' GLU . . . . . 0.653 ' O ' ' HB3' ' A' ' 587' ' ' HIS . 3.4 tt0 -55.04 -55.51 30.11 Favored 'General case' 0 CA--C 1.512 -0.503 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.197 -179.821 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 584' ' ' LEU . . . . . 0.725 HD11 ' HB3' ' A' ' 567' ' ' PHE . 1.7 mt -59.93 -35.13 74.25 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.636 -179.061 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 585' ' ' GLN . . . . . 0.444 ' NE2' ' O ' ' A' ' 581' ' ' SER . 0.1 OUTLIER -61.37 -56.52 19.41 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.519 -0.472 . . . . 0.0 109.953 179.724 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 586' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.84 -41.04 65.22 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.694 -0.685 . . . . 0.0 112.41 179.755 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 587' ' ' HIS . . . . . 0.653 ' HB3' ' O ' ' A' ' 583' ' ' GLU . 0.2 OUTLIER -65.25 -48.21 74.04 Favored 'General case' 0 C--O 1.231 0.114 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 -179.596 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 588' ' ' LYS . . . . . 0.441 ' HB2' ' O ' ' A' ' 584' ' ' LEU . 78.3 mttt -61.44 -28.67 69.43 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 108.933 -0.765 . . . . 0.0 108.933 178.104 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 589' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -49.23 -27.59 3.84 Favored 'General case' 0 N--CA 1.458 -0.074 0 CA-C-N 115.309 -0.86 . . . . 0.0 111.286 179.791 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 590' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -103.23 -17.98 15.1 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.26 -179.825 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 591' ' ' HIS . . . . . 0.447 ' CE1' ' HB2' ' A' ' 574' ' ' CYS . 0.1 OUTLIER -54.13 167.11 0.32 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.948 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 592' ' ' THR . . . . . . . . . . . . . 31.3 p -132.84 116.0 15.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.977 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 593' ' ' GLY . . . . . . . . . . . . . . . 162.92 -42.97 0.34 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.567 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 594' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -91.58 -66.26 0.94 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.811 0.338 . . . . 0.0 110.967 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 595' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.248 1.02 0 CA-C-O 118.274 -0.87 . . . . 0.0 110.915 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 565' ' ' ARG . . . . . . . . . . . . . 2.0 ptt180 . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.686 0.279 . . . . 0.0 111.149 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 566' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo -83.84 47.16 2.21 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.728 2.286 . . . . 0.0 112.597 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 567' ' ' PHE . . . . . 0.762 ' HB3' HD11 ' A' ' 584' ' ' LEU . 23.7 m-85 -129.41 100.51 5.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.743 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 568' ' ' MET . . . . . 0.417 ' HG2' HG23 ' A' ' 570' ' ' THR . 25.4 ttt -147.36 95.78 2.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.491 -179.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 569' ' ' CYS . . . . . 0.41 ' SG ' ' CE3' ' A' ' 571' ' ' TRP . 27.5 t -77.17 81.2 3.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.176 179.381 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 570' ' ' THR . . . . . 0.417 HG23 ' HG2' ' A' ' 568' ' ' MET . 24.0 p -73.28 -23.31 60.29 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.669 -179.392 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 571' ' ' TRP . . . . . 0.472 ' CZ3' ' HE2' ' A' ' 588' ' ' LYS . 0.3 OUTLIER 39.45 -162.74 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 120.754 0.312 . . . . 0.0 111.691 -179.848 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 75.5 m -73.05 -24.32 60.68 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.823 0.344 . . . . 0.0 110.628 179.529 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 573' ' ' TYR . . . . . . . . . . . . . 49.9 p90 -172.84 38.35 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.994 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 574' ' ' CYS . . . . . 0.427 ' HB2' ' HB2' ' A' ' 571' ' ' TRP . 33.9 t -78.49 -50.16 12.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.835 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . 56.4 79.93 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.441 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 576' ' ' LYS . . . . . . . . . . . . . 7.9 mttm -168.46 143.63 3.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.854 0.359 . . . . 0.0 110.814 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 2.6 mtt85 -109.13 159.19 17.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.89 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 578' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -136.61 163.66 30.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.159 -179.727 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 579' ' ' THR . . . . . . . . . . . . . 7.4 m -118.31 -8.38 10.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.267 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 580' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -131.21 137.09 48.78 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.811 0.339 . . . . 0.0 110.781 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 581' ' ' SER . . . . . 0.445 ' HB3' ' CE1' ' A' ' 567' ' ' PHE . 12.6 p -62.73 -41.63 99.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.813 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -54.04 -36.37 62.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.309 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 583' ' ' GLU . . . . . 0.599 ' O ' ' HB3' ' A' ' 587' ' ' HIS . 4.8 tt0 -55.24 -55.08 35.36 Favored 'General case' 0 CA--C 1.513 -0.46 0 CA-C-O 120.847 0.356 . . . . 0.0 111.071 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 584' ' ' LEU . . . . . 0.762 HD11 ' HB3' ' A' ' 567' ' ' PHE . 5.3 mt -57.97 -35.3 70.98 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.717 -179.31 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 585' ' ' GLN . . . . . . . . . . . . . 26.1 mm-40 -62.18 -56.76 15.56 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 120.404 -0.518 . . . . 0.0 110.009 179.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 586' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.04 -39.44 65.93 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.909 0.707 . . . . 0.0 112.909 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 587' ' ' HIS . . . . . 0.599 ' HB3' ' O ' ' A' ' 583' ' ' GLU . 0.6 OUTLIER -67.75 -49.84 60.41 Favored 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 -179.389 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 588' ' ' LYS . . . . . 0.472 ' HE2' ' CZ3' ' A' ' 571' ' ' TRP . 93.9 mttt -60.74 -28.44 68.69 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 108.731 -0.841 . . . . 0.0 108.731 177.787 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 589' ' ' ARG . . . . . . . . . . . . . 2.9 tpt180 -50.28 -30.11 11.14 Favored 'General case' 0 C--O 1.231 0.081 0 CA-C-N 115.173 -0.921 . . . . 0.0 111.201 179.551 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 590' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -97.5 -21.25 17.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.267 -179.624 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 591' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -60.72 -33.16 72.48 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.883 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 592' ' ' THR . . . . . . . . . . . . . 73.8 p -90.16 152.48 21.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 593' ' ' GLY . . . . . . . . . . . . . . . -117.52 39.79 2.53 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.455 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 594' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -118.4 -42.0 2.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.816 0.341 . . . . 0.0 110.899 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 595' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.25 1.086 0 CA-C-O 118.224 -0.893 . . . . 0.0 110.808 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 565' ' ' ARG . . . . . 0.703 ' CG ' HG23 ' A' ' 579' ' ' THR . 1.4 mpp_? . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.701 0.286 . . . . 0.0 111.242 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 566' ' ' PRO . . . . . 0.414 ' HD2' ' CE2' ' A' ' 567' ' ' PHE . 84.2 Cg_endo -81.7 50.28 3.45 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.663 2.242 . . . . 0.0 112.633 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 567' ' ' PHE . . . . . 0.622 ' HB3' HD11 ' A' ' 584' ' ' LEU . 18.8 m-85 -129.27 110.22 11.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.875 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 568' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -147.21 123.85 11.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.031 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 569' ' ' CYS . . . . . 0.458 ' N ' ' CD2' ' A' ' 584' ' ' LEU . 7.7 p -58.91 149.2 27.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.328 179.769 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 52.8 p -91.77 21.04 5.06 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 111.791 0.293 . . . . 0.0 111.791 -179.358 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 571' ' ' TRP . . . . . 0.472 ' CH2' ' HB2' ' A' ' 588' ' ' LYS . 4.7 m-90 -89.11 108.21 19.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.796 0.331 . . . . 0.0 110.807 179.644 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 31.5 t -54.13 -46.9 72.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.136 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 573' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -60.07 -24.45 64.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.887 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 574' ' ' CYS . . . . . 0.44 ' HB2' ' CE1' ' A' ' 591' ' ' HIS . 8.6 t -84.51 -50.4 7.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.997 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . 47.72 27.47 4.65 Favored Glycine 0 C--N 1.331 0.286 0 C-N-CA 120.919 -0.657 . . . . 0.0 112.936 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 576' ' ' LYS . . . . . . . . . . . . . 38.3 mttm -100.37 -179.87 4.24 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-O 120.933 0.397 . . . . 0.0 111.24 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 53.5 mtt180 -136.83 163.48 30.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.654 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 578' ' ' PHE . . . . . 0.445 ' CZ ' ' HG2' ' A' ' 583' ' ' GLU . 3.4 m-85 -144.6 164.07 32.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.024 0.44 . . . . 0.0 111.358 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 579' ' ' THR . . . . . 0.703 HG23 ' CG ' ' A' ' 565' ' ' ARG . 32.5 m -107.96 -6.83 16.41 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.258 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 580' ' ' ARG . . . . . . . . . . . . . 5.1 mmm180 -133.12 137.11 46.18 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.907 0.384 . . . . 0.0 110.987 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 581' ' ' SER . . . . . 0.553 ' HA ' HD12 ' A' ' 584' ' ' LEU . 5.5 p -62.74 -37.02 84.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.831 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -58.23 -34.92 70.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.419 -179.752 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 583' ' ' GLU . . . . . 0.622 ' O ' ' HB3' ' A' ' 587' ' ' HIS . 3.5 tt0 -55.18 -55.42 31.43 Favored 'General case' 0 CA--C 1.51 -0.588 0 CA-C-O 120.848 0.356 . . . . 0.0 110.95 -179.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 584' ' ' LEU . . . . . 0.622 HD11 ' HB3' ' A' ' 567' ' ' PHE . 0.3 OUTLIER -57.01 -38.28 72.89 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.684 -179.154 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 585' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 -59.64 -56.4 22.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.13 0.49 . . . . 0.0 110.244 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 586' ' ' ARG . . . . . 0.443 ' O ' ' HB2' ' A' ' 589' ' ' ARG . 4.0 ptt180 -72.73 -41.02 65.64 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.678 -0.692 . . . . 0.0 112.467 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 587' ' ' HIS . . . . . 0.622 ' HB3' ' O ' ' A' ' 583' ' ' GLU . 0.2 OUTLIER -64.8 -42.29 95.15 Favored 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 109.419 -0.585 . . . . 0.0 109.419 -179.522 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 588' ' ' LYS . . . . . 0.494 ' HG2' ' O ' ' A' ' 584' ' ' LEU . 10.6 ptpt -63.97 -32.86 74.54 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 178.205 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 589' ' ' ARG . . . . . 0.443 ' HB2' ' O ' ' A' ' 586' ' ' ARG . 0.0 OUTLIER -48.4 -27.55 2.68 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-N 114.776 -1.102 . . . . 0.0 111.091 179.735 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 590' ' ' THR . . . . . . . . . . . . . 3.8 t -123.05 37.37 4.43 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.816 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 591' ' ' HIS . . . . . 0.44 ' CE1' ' HB2' ' A' ' 574' ' ' CYS . 0.2 OUTLIER -95.77 -66.99 0.87 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.835 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 592' ' ' THR . . . . . . . . . . . . . 72.2 p -129.7 153.7 47.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.875 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 593' ' ' GLY . . . . . . . . . . . . . . . 115.37 -96.54 0.76 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.489 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 594' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -116.71 -64.78 1.26 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.841 0.353 . . . . 0.0 110.918 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 595' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.2 -0.905 . . . . 0.0 110.851 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 565' ' ' ARG . . . . . 0.444 ' HB3' ' CD2' ' A' ' 567' ' ' PHE . 2.7 mmp_? . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.751 0.31 . . . . 0.0 111.193 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 566' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_endo -84.22 47.3 2.18 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.797 2.331 . . . . 0.0 112.635 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 567' ' ' PHE . . . . . 0.444 ' CD2' ' HB3' ' A' ' 565' ' ' ARG . 24.6 m-85 -129.4 110.19 11.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.802 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 568' ' ' MET . . . . . . . . . . . . . 7.0 ptt? -147.5 97.31 2.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.733 0.301 . . . . 0.0 111.468 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 569' ' ' CYS . . . . . 0.416 ' SG ' ' CE3' ' A' ' 571' ' ' TRP . 15.0 t -71.69 80.97 0.85 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.882 0.372 . . . . 0.0 110.136 179.341 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 70.2 p -73.27 -23.05 60.26 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.595 -179.504 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 571' ' ' TRP . . . . . 0.528 ' CZ2' ' HB2' ' A' ' 588' ' ' LYS . 0.2 OUTLIER 40.94 -163.15 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 120.788 0.328 . . . . 0.0 111.44 -179.842 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 1.7 m -71.8 -24.32 61.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.811 0.338 . . . . 0.0 110.7 179.509 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 573' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -172.33 38.78 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.896 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 574' ' ' CYS . . . . . 0.438 ' CB ' ' HB2' ' A' ' 571' ' ' TRP . 26.5 t -80.46 -50.09 10.54 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.908 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . 56.28 76.27 0.21 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.284 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 576' ' ' LYS . . . . . . . . . . . . . 7.7 tttm -164.93 147.35 8.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.777 0.323 . . . . 0.0 110.906 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 3.5 mtt180 -108.77 163.51 13.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.93 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 578' ' ' PHE . . . . . . . . . . . . . 45.8 m-85 -142.27 163.64 32.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.959 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 579' ' ' THR . . . . . . . . . . . . . 30.8 m -112.15 -9.08 13.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.378 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 580' ' ' ARG . . . . . . . . . . . . . 23.8 mmt85 -131.12 137.08 48.9 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.96 0.409 . . . . 0.0 111.01 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 581' ' ' SER . . . . . 0.428 ' HB3' ' CE1' ' A' ' 567' ' ' PHE . 15.7 p -67.73 -22.44 65.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.083 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 582' ' ' ASP . . . . . 0.444 ' HA ' ' HG2' ' A' ' 585' ' ' GLN . 1.5 m-20 -75.24 -33.46 61.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.345 -179.62 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 583' ' ' GLU . . . . . 0.522 ' O ' ' HB3' ' A' ' 587' ' ' HIS . 2.5 tt0 -55.05 -55.59 29.26 Favored 'General case' 0 CA--C 1.51 -0.58 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.202 -179.618 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 584' ' ' LEU . . . . . 0.722 HD12 ' NE2' ' A' ' 585' ' ' GLN . 0.0 OUTLIER -55.31 -33.17 63.07 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.217 -179.618 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 585' ' ' GLN . . . . . 0.722 ' NE2' HD12 ' A' ' 584' ' ' LEU . 16.7 mm-40 -61.63 -56.9 14.81 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.49 -0.484 . . . . 0.0 110.026 179.384 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 586' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.41 -40.3 64.39 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.128 -0.487 . . . . 0.0 112.252 179.784 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 587' ' ' HIS . . . . . 0.522 ' HB3' ' O ' ' A' ' 583' ' ' GLU . 0.2 OUTLIER -64.64 -45.49 86.58 Favored 'General case' 0 C--N 1.332 -0.167 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 -179.608 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 588' ' ' LYS . . . . . 0.528 ' HB2' ' CZ2' ' A' ' 571' ' ' TRP . 0.0 OUTLIER -61.51 -31.16 71.15 Favored 'General case' 0 N--CA 1.455 -0.2 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 177.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 589' ' ' ARG . . . . . 0.458 ' N ' ' HG3' ' A' ' 588' ' ' LYS . 0.0 OUTLIER -51.29 -30.68 18.81 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 114.711 -1.132 . . . . 0.0 111.0 179.611 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 590' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -112.69 30.65 6.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.81 -179.838 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 591' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -99.22 -26.62 14.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.03 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 592' ' ' THR . . . . . . . . . . . . . 4.0 p 58.62 107.98 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.006 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 593' ' ' GLY . . . . . . . . . . . . . . . 150.79 -40.27 0.81 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.459 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 594' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -86.54 -31.31 21.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.841 0.353 . . . . 0.0 110.85 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 595' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.249 -0.882 . . . . 0.0 110.906 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 565' ' ' ARG . . . . . 0.448 ' HB3' ' CD2' ' A' ' 567' ' ' PHE . 0.2 OUTLIER . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.706 0.288 . . . . 0.0 111.155 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 566' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -75.86 61.45 6.32 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.588 2.192 . . . . 0.0 112.58 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 567' ' ' PHE . . . . . 0.448 ' CD2' ' HB3' ' A' ' 565' ' ' ARG . 52.4 m-85 -125.9 121.51 33.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.885 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 568' ' ' MET . . . . . 0.574 ' N ' HD11 ' A' ' 584' ' ' LEU . 0.0 OUTLIER -147.2 140.18 25.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.911 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 569' ' ' CYS . . . . . 0.579 ' CA ' HD22 ' A' ' 584' ' ' LEU . 1.8 p -56.83 -170.45 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.518 179.75 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 66.6 p -129.81 0.02 4.83 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.223 0.453 . . . . 0.0 112.223 -179.478 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 571' ' ' TRP . . . . . 0.452 ' CZ2' ' HB3' ' A' ' 591' ' ' HIS . 0.8 OUTLIER -51.08 177.82 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.812 0.339 . . . . 0.0 111.219 -179.951 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -83.49 -46.95 11.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.606 -179.386 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 573' ' ' TYR . . . . . . . . . . . . . 18.0 t80 -135.21 70.45 1.44 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.898 0.38 . . . . 0.0 111.287 -179.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 574' ' ' CYS . . . . . . . . . . . . . 41.8 t -101.74 -50.32 3.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 179.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . 53.92 57.34 16.71 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.853 -0.689 . . . . 0.0 112.554 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 576' ' ' LYS . . . . . . . . . . . . . 66.9 tttt -152.34 107.65 3.28 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-O 120.826 0.346 . . . . 0.0 111.064 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 577' ' ' ARG . . . . . 0.409 ' O ' ' CD1' ' A' ' 578' ' ' PHE . 6.6 mtt-85 -92.41 158.63 15.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.738 179.823 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 578' ' ' PHE . . . . . 0.53 ' CD2' ' HB3' ' A' ' 583' ' ' GLU . 22.9 m-85 -135.75 164.1 28.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.029 0.443 . . . . 0.0 111.24 -179.86 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 579' ' ' THR . . . . . . . . . . . . . 16.5 m -97.4 -7.49 31.65 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.385 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 580' ' ' ARG . . . . . 0.425 ' HD2' ' N ' ' A' ' 580' ' ' ARG . 3.9 mpt_? -132.51 137.07 47.04 Favored 'General case' 0 N--CA 1.456 -0.143 0 CA-C-O 120.807 0.336 . . . . 0.0 111.03 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 581' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -62.71 -33.81 75.88 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.454 179.683 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -56.29 -37.77 70.31 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.125 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 583' ' ' GLU . . . . . 0.533 ' O ' ' HB3' ' A' ' 587' ' ' HIS . 4.6 tp10 -55.35 -55.63 29.39 Favored 'General case' 0 CA--C 1.508 -0.642 0 CA-C-O 121.028 0.442 . . . . 0.0 110.766 179.741 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 584' ' ' LEU . . . . . 0.579 HD22 ' CA ' ' A' ' 569' ' ' CYS . 83.2 mt -55.07 -34.9 64.0 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.774 -179.241 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 585' ' ' GLN . . . . . . . . . . . . . 25.6 mm-40 -63.12 -56.61 15.32 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.472 -0.491 . . . . 0.0 110.028 179.591 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 586' ' ' ARG . . . . . 0.511 ' O ' ' HB2' ' A' ' 589' ' ' ARG . 0.0 OUTLIER -72.83 -39.62 66.45 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.635 -0.711 . . . . 0.0 112.421 -179.929 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 587' ' ' HIS . . . . . 0.533 ' HB3' ' O ' ' A' ' 583' ' ' GLU . 0.0 OUTLIER -64.17 -36.89 85.54 Favored 'General case' 0 CA--C 1.518 -0.264 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 -179.813 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 588' ' ' LYS . . . . . 0.425 ' HB2' ' O ' ' A' ' 584' ' ' LEU . 29.4 mttt -68.49 -29.49 68.11 Favored 'General case' 0 N--CA 1.448 -0.538 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 177.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 589' ' ' ARG . . . . . 0.511 ' HB2' ' O ' ' A' ' 586' ' ' ARG . 18.6 mmt85 -65.08 -27.91 69.09 Favored 'General case' 0 N--CA 1.456 -0.138 0 CA-C-N 115.375 -0.83 . . . . 0.0 110.861 179.809 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 590' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -105.2 -5.27 20.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.249 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 591' ' ' HIS . . . . . 0.452 ' HB3' ' CZ2' ' A' ' 571' ' ' TRP . 0.2 OUTLIER -54.24 -53.77 49.06 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.779 0.323 . . . . 0.0 110.978 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 592' ' ' THR . . . . . . . . . . . . . 59.9 p -59.28 -67.33 0.38 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.956 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 593' ' ' GLY . . . . . . . . . . . . . . . 135.92 -30.39 2.75 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.462 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 594' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -73.47 -59.43 2.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.825 0.345 . . . . 0.0 110.83 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 595' ' ' LYS . . . . . . . . . . . . . 17.2 mttt . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.245 -0.883 . . . . 0.0 110.848 -179.984 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 565' ' ' ARG . . . . . 0.651 ' HG2' HG23 ' A' ' 579' ' ' THR . 0.7 OUTLIER . . . . . 0 N--CA 1.487 1.425 0 CA-C-O 120.675 0.274 . . . . 0.0 111.1 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 566' ' ' PRO . . . . . 0.422 ' HD2' ' CE2' ' A' ' 567' ' ' PHE . 84.5 Cg_endo -81.7 47.63 2.59 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.72 2.28 . . . . 0.0 112.789 -179.781 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 567' ' ' PHE . . . . . 0.422 ' CE2' ' HD2' ' A' ' 566' ' ' PRO . 17.6 m-85 -129.46 90.88 3.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.676 179.687 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 568' ' ' MET . . . . . 0.402 ' HB3' ' HG2' ' A' ' 577' ' ' ARG . 5.9 ptt? -136.34 130.57 33.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.005 -179.838 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 569' ' ' CYS . . . . . 0.457 ' HA ' HD23 ' A' ' 584' ' ' LEU . 0.1 OUTLIER -58.23 128.46 37.23 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.173 179.721 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 22.3 p -92.56 23.38 4.06 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 112.304 0.483 . . . . 0.0 112.304 -178.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 571' ' ' TRP . . . . . 0.499 ' CZ2' ' HB2' ' A' ' 588' ' ' LYS . 0.8 OUTLIER -52.45 176.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.809 0.337 . . . . 0.0 110.999 179.839 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 55.1 p -57.19 -46.88 82.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.031 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 573' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -167.42 83.51 0.22 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.81 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 574' ' ' CYS . . . . . . . . . . . . . 52.6 t -101.53 -50.23 3.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.916 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . 71.66 55.14 7.69 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.47 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 576' ' ' LYS . . . . . . . . . . . . . 4.7 mtmt -152.67 113.97 4.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.815 0.34 . . . . 0.0 110.883 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 577' ' ' ARG . . . . . 0.414 ' O ' ' CD1' ' A' ' 578' ' ' PHE . 29.5 mtt180 -89.54 159.21 17.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.854 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 578' ' ' PHE . . . . . 0.513 ' CD2' ' HB3' ' A' ' 583' ' ' GLU . 9.4 m-85 -141.73 164.04 31.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.147 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 579' ' ' THR . . . . . 0.651 HG23 ' HG2' ' A' ' 565' ' ' ARG . 60.0 m -104.07 -7.52 20.19 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.891 -179.462 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 580' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.68 146.13 32.08 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.947 0.403 . . . . 0.0 111.346 -179.652 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 581' ' ' SER . . . . . . . . . . . . . 3.6 m -62.49 -32.84 73.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.456 179.639 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.54 -38.5 63.86 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.894 179.774 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 583' ' ' GLU . . . . . 0.513 ' HB3' ' CD2' ' A' ' 578' ' ' PHE . 2.9 tp10 -55.3 -55.15 34.79 Favored 'General case' 0 CA--C 1.51 -0.593 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.647 179.488 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 584' ' ' LEU . . . . . 0.546 ' H ' HD12 ' A' ' 584' ' ' LEU . 6.0 mp -54.23 -37.0 64.12 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.426 -179.697 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 585' ' ' GLN . . . . . 0.427 ' O ' ' HG2' ' A' ' 588' ' ' LYS . 26.1 mm-40 -61.08 -56.38 21.59 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.182 0.515 . . . . 0.0 110.343 179.664 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 586' ' ' ARG . . . . . 0.412 ' O ' ' HB2' ' A' ' 589' ' ' ARG . 1.2 mtm180 -72.83 -38.28 67.18 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.722 -0.672 . . . . 0.0 112.322 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 587' ' ' HIS . . . . . 0.511 ' HB3' ' O ' ' A' ' 583' ' ' GLU . 0.2 OUTLIER -67.83 -51.86 43.61 Favored 'General case' 0 N--CA 1.455 -0.214 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 -179.652 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 588' ' ' LYS . . . . . 0.499 ' HB2' ' CZ2' ' A' ' 571' ' ' TRP . 41.3 pttt -56.65 -29.98 62.84 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 178.265 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 589' ' ' ARG . . . . . 0.412 ' HB2' ' O ' ' A' ' 586' ' ' ARG . 0.0 OUTLIER -45.97 -29.73 1.54 Allowed 'General case' 0 C--O 1.231 0.098 0 CA-C-N 114.853 -1.067 . . . . 0.0 110.858 179.523 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 590' ' ' THR . . . . . . . . . . . . . 8.7 t -124.32 42.07 3.34 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.667 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 591' ' ' HIS . . . . . 0.443 ' HB2' ' HA ' ' A' ' 588' ' ' LYS . 0.5 OUTLIER -95.94 24.97 5.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.124 -179.836 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 592' ' ' THR . . . . . . . . . . . . . 17.9 p 53.38 98.51 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.097 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 593' ' ' GLY . . . . . . . . . . . . . . . 161.64 -166.61 36.11 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.592 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 594' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -62.5 -74.82 0.08 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.832 0.348 . . . . 0.0 110.925 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 595' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.226 -0.892 . . . . 0.0 110.908 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 565' ' ' ARG . . . . . 0.441 ' N ' ' HD2' ' A' ' 566' ' ' PRO . 5.4 mtm180 . . . . . 0 N--CA 1.491 1.6 0 CA-C-O 120.585 0.231 . . . . 0.0 111.57 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 566' ' ' PRO . . . . . 0.441 ' HD2' ' N ' ' A' ' 565' ' ' ARG . 61.0 Cg_endo -73.28 61.3 4.12 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.392 2.061 . . . . 0.0 112.424 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 567' ' ' PHE . . . . . . . . . . . . . 77.2 m-85 -122.75 100.3 6.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.678 179.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 568' ' ' MET . . . . . . . . . . . . . 4.5 ttt -114.53 135.4 54.16 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.086 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 569' ' ' CYS . . . . . 0.483 ' HA ' HD23 ' A' ' 584' ' ' LEU . 11.4 p -59.27 140.82 55.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.151 179.605 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 35.4 p -73.47 -5.44 40.03 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.955 0.724 . . . . 0.0 112.955 -178.328 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 571' ' ' TRP . . . . . 0.506 ' CD1' ' CE1' ' A' ' 591' ' ' HIS . 0.6 OUTLIER -49.25 172.69 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 120.776 0.322 . . . . 0.0 111.204 -179.689 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -91.57 -47.06 7.61 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 112.057 0.391 . . . . 0.0 112.057 -178.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 573' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -132.71 66.4 1.56 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.811 0.338 . . . . 0.0 111.599 -179.366 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 574' ' ' CYS . . . . . . . . . . . . . 43.4 t -101.86 -50.36 3.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.663 179.457 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . 65.94 51.54 44.83 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.897 -0.668 . . . . 0.0 112.689 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 576' ' ' LYS . . . . . . . . . . . . . 10.9 mtpp -147.05 122.1 10.09 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-O 120.824 0.345 . . . . 0.0 111.035 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 11.6 mtt180 -89.49 163.55 15.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.738 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 578' ' ' PHE . . . . . 0.405 ' CE1' ' HB3' ' A' ' 569' ' ' CYS . 37.5 m-85 -139.65 163.76 31.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.969 0.414 . . . . 0.0 111.401 -179.386 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 579' ' ' THR . . . . . . . . . . . . . 28.6 m -113.68 -8.89 13.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.322 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 580' ' ' ARG . . . . . . . . . . . . . 57.6 mmm-85 -140.39 152.4 45.72 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.853 0.359 . . . . 0.0 110.894 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 581' ' ' SER . . . . . 0.434 ' HA ' ' CD1' ' A' ' 584' ' ' LEU . 2.7 p -72.59 -22.6 60.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.32 -179.849 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.12 -35.84 74.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.578 -179.456 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 583' ' ' GLU . . . . . 0.512 ' O ' ' HB3' ' A' ' 587' ' ' HIS . 4.7 tt0 -55.09 -54.96 36.52 Favored 'General case' 0 CA--C 1.511 -0.555 0 CA-C-O 120.806 0.336 . . . . 0.0 111.128 -179.766 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 584' ' ' LEU . . . . . 0.483 HD23 ' HA ' ' A' ' 569' ' ' CYS . 1.1 mp -54.2 -32.93 57.0 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.272 -179.419 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 585' ' ' GLN . . . . . 0.429 ' O ' ' HG3' ' A' ' 588' ' ' LYS . 20.0 mm-40 -64.02 -56.64 13.6 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.471 -0.492 . . . . 0.0 109.91 179.176 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 586' ' ' ARG . . . . . 0.439 ' HG2' ' O ' ' A' ' 583' ' ' GLU . 0.6 OUTLIER -73.02 -40.52 65.09 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.88 -0.6 . . . . 0.0 112.392 179.777 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 587' ' ' HIS . . . . . 0.512 ' HB3' ' O ' ' A' ' 583' ' ' GLU . 0.1 OUTLIER -62.73 -49.33 75.47 Favored 'General case' 0 CA--C 1.52 -0.194 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 -179.685 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 588' ' ' LYS . . . . . 0.447 ' HG3' ' N ' ' A' ' 589' ' ' ARG . 0.0 OUTLIER -58.63 -30.36 67.22 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 178.203 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 589' ' ' ARG . . . . . 0.447 ' N ' ' HG3' ' A' ' 588' ' ' LYS . 0.0 OUTLIER -55.44 -33.53 63.67 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 114.779 -1.1 . . . . 0.0 110.593 179.239 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 590' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -113.86 24.27 12.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.855 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 591' ' ' HIS . . . . . 0.506 ' CE1' ' CD1' ' A' ' 571' ' ' TRP . 0.9 OUTLIER -72.8 -29.03 62.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.925 -179.889 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 592' ' ' THR . . . . . 0.547 HG23 ' HB2' ' A' ' 595' ' ' LYS . 2.8 t -147.73 159.63 43.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.859 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 593' ' ' GLY . . . . . . . . . . . . . . . -59.63 -67.91 1.94 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.493 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 594' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -98.16 126.1 43.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.842 0.353 . . . . 0.0 110.873 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 595' ' ' LYS . . . . . 0.547 ' HB2' HG23 ' A' ' 592' ' ' THR . 8.8 tttp . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.233 -0.889 . . . . 0.0 110.901 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 565' ' ' ARG . . . . . 0.43 ' HG2' HG23 ' A' ' 579' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 120.7 0.286 . . . . 0.0 111.261 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 566' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -82.6 47.61 2.52 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.768 2.312 . . . . 0.0 112.661 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 567' ' ' PHE . . . . . . . . . . . . . 34.0 m-85 -129.37 105.08 7.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.747 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 568' ' ' MET . . . . . . . . . . . . . 2.8 ptt? -143.08 125.04 15.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.138 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 569' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -57.05 128.55 37.52 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.001 179.628 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 25.2 p -90.28 17.45 7.15 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 112.703 0.631 . . . . 0.0 112.703 -178.336 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 571' ' ' TRP . . . . . 0.507 ' CZ2' ' HB2' ' A' ' 588' ' ' LYS . 0.8 OUTLIER -48.31 171.57 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.898 0.38 . . . . 0.0 111.426 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 11.2 m -54.73 -46.97 74.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.515 -179.556 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 573' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -164.38 82.01 0.4 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.93 0.395 . . . . 0.0 111.108 -179.795 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 574' ' ' CYS . . . . . . . . . . . . . 40.8 t -101.69 -50.21 3.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.649 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . 69.14 52.18 24.35 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.672 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 576' ' ' LYS . . . . . . . . . . . . . 4.3 mttt -149.77 122.36 8.57 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-O 120.824 0.345 . . . . 0.0 110.904 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -89.49 163.52 15.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.731 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 578' ' ' PHE . . . . . 0.482 ' HB2' HD11 ' A' ' 584' ' ' LEU . 51.4 m-85 -137.68 163.66 30.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.025 0.44 . . . . 0.0 111.428 -179.478 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 579' ' ' THR . . . . . 0.43 HG23 ' HG2' ' A' ' 565' ' ' ARG . 77.5 m -110.39 -14.34 14.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.064 179.796 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 580' ' ' ARG . . . . . . . . . . . . . 5.5 mtt180 -140.98 137.13 32.81 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.841 0.353 . . . . 0.0 110.658 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 581' ' ' SER . . . . . 0.477 ' O ' ' NE2' ' A' ' 585' ' ' GLN . 62.7 p -57.26 -36.95 71.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.026 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 582' ' ' ASP . . . . . 0.444 ' HA ' ' NE2' ' A' ' 585' ' ' GLN . 0.5 OUTLIER -52.57 -35.73 54.54 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.177 -179.742 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 583' ' ' GLU . . . . . 0.484 ' O ' ' HB3' ' A' ' 587' ' ' HIS . 2.8 tp10 -57.94 -55.16 38.56 Favored 'General case' 0 CA--C 1.51 -0.595 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.773 179.546 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 584' ' ' LEU . . . . . 0.482 HD11 ' HB2' ' A' ' 578' ' ' PHE . 7.2 mp -54.27 -34.23 60.37 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.146 -179.708 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 585' ' ' GLN . . . . . 0.477 ' NE2' ' O ' ' A' ' 581' ' ' SER . 0.0 OUTLIER -61.47 -56.78 16.4 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.569 -0.452 . . . . 0.0 110.046 179.297 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 586' ' ' ARG . . . . . 0.498 ' HG3' ' N ' ' A' ' 587' ' ' HIS . 0.6 OUTLIER -73.12 -41.11 64.37 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.902 -0.59 . . . . 0.0 112.362 179.699 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 587' ' ' HIS . . . . . 0.498 ' N ' ' HG3' ' A' ' 586' ' ' ARG . 0.2 OUTLIER -63.59 -51.63 64.5 Favored 'General case' 0 CA--C 1.519 -0.222 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 -179.553 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 588' ' ' LYS . . . . . 0.507 ' HB2' ' CZ2' ' A' ' 571' ' ' TRP . 0.0 OUTLIER -58.1 -30.77 66.53 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 178.272 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 589' ' ' ARG . . . . . 0.401 ' N ' ' HG3' ' A' ' 588' ' ' LYS . 0.0 OUTLIER -51.68 -30.43 21.92 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 114.876 -1.056 . . . . 0.0 110.751 179.369 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 590' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -113.91 26.38 10.38 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.848 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 591' ' ' HIS . . . . . 0.449 ' HB2' ' HA ' ' A' ' 588' ' ' LYS . 0.3 OUTLIER -86.63 -49.03 7.81 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 -179.946 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 592' ' ' THR . . . . . . . . . . . . . 3.9 t -132.96 171.4 14.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.832 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 593' ' ' GLY . . . . . . . . . . . . . . . -85.76 60.88 4.61 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.479 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 594' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -168.62 131.33 1.38 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.832 0.348 . . . . 0.0 110.864 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 595' ' ' LYS . . . . . . . . . . . . . 1.4 pttt . . . . . 0 C--O 1.248 1.015 0 CA-C-O 118.206 -0.902 . . . . 0.0 110.899 179.982 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 565' ' ' ARG . . . . . 0.49 ' HB2' ' HD3' ' A' ' 566' ' ' PRO . 6.8 mtp180 . . . . . 0 N--CA 1.488 1.462 0 N-CA-C 111.994 0.368 . . . . 0.0 111.994 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 566' ' ' PRO . . . . . 0.49 ' HD3' ' HB2' ' A' ' 565' ' ' ARG . 93.0 Cg_endo -83.53 43.89 1.51 Allowed 'Trans proline' 0 C--N 1.349 0.603 0 C-N-CA 122.283 1.989 . . . . 0.0 113.004 -179.663 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 567' ' ' PHE . . . . . 0.572 ' HB3' HD13 ' A' ' 584' ' ' LEU . 11.8 m-85 -129.58 103.69 7.02 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.393 179.443 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 568' ' ' MET . . . . . 0.42 ' HB3' ' O ' ' A' ' 576' ' ' LYS . 25.3 mtt -147.27 109.15 4.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.741 0.305 . . . . 0.0 111.611 -179.457 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 569' ' ' CYS . . . . . 0.458 ' N ' HD21 ' A' ' 584' ' ' LEU . 17.5 t -68.88 110.23 4.29 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.244 179.331 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 6.6 p -86.16 -30.98 22.04 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.185 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 571' ' ' TRP . . . . . 0.443 ' HB2' ' HB2' ' A' ' 574' ' ' CYS . 0.2 OUTLIER 39.94 -163.79 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.647 -179.941 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 35.8 p -63.15 -30.81 71.89 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.861 0.362 . . . . 0.0 110.678 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 573' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -171.64 35.04 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 574' ' ' CYS . . . . . 0.443 ' HB2' ' HB2' ' A' ' 571' ' ' TRP . 43.2 t -75.0 -50.32 16.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.636 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . 54.09 20.46 14.77 Favored Glycine 0 CA--C 1.519 0.293 0 C-N-CA 121.085 -0.578 . . . . 0.0 113.514 179.342 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 576' ' ' LYS . . . . . 0.42 ' O ' ' HB3' ' A' ' 568' ' ' MET . 12.3 mttt -80.63 -176.65 5.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 117.013 0.407 . . . . 0.0 110.655 179.785 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 73.3 mtt85 -153.42 155.08 35.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.716 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 578' ' ' PHE . . . . . 0.475 ' CD1' ' HG2' ' A' ' 583' ' ' GLU . 5.2 m-85 -148.99 163.8 36.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.99 0.424 . . . . 0.0 111.097 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 579' ' ' THR . . . . . . . . . . . . . 22.4 m -97.44 -8.09 30.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.503 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 580' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -140.58 137.08 33.44 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.872 0.368 . . . . 0.0 110.91 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 581' ' ' SER . . . . . 0.491 ' O ' ' NE2' ' A' ' 585' ' ' GLN . 0.3 OUTLIER -59.59 -35.45 74.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.816 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 582' ' ' ASP . . . . . 0.448 ' HA ' ' NE2' ' A' ' 585' ' ' GLN . 5.6 m-20 -52.48 -37.05 56.28 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.051 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 583' ' ' GLU . . . . . 0.533 ' O ' ' HB3' ' A' ' 587' ' ' HIS . 7.9 tp10 -57.36 -55.74 30.81 Favored 'General case' 0 CA--C 1.508 -0.64 0 CA-C-O 121.128 0.489 . . . . 0.0 110.573 179.35 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 584' ' ' LEU . . . . . 0.572 HD13 ' HB3' ' A' ' 567' ' ' PHE . 6.4 mp -55.3 -36.47 66.22 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.603 -179.442 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 585' ' ' GLN . . . . . 0.491 ' NE2' ' O ' ' A' ' 581' ' ' SER . 0.0 OUTLIER -60.3 -56.79 17.16 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.549 -0.46 . . . . 0.0 110.136 179.867 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 586' ' ' ARG . . . . . 0.543 ' O ' ' HB2' ' A' ' 589' ' ' ARG . 30.9 mtp180 -72.87 -40.07 65.93 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.72 -0.673 . . . . 0.0 112.192 179.819 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 587' ' ' HIS . . . . . 0.533 ' HB3' ' O ' ' A' ' 583' ' ' GLU . 0.1 OUTLIER -65.57 -37.53 86.93 Favored 'General case' 0 N--CA 1.455 -0.221 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 -179.766 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 588' ' ' LYS . . . . . 0.524 ' HE3' HD23 ' A' ' 584' ' ' LEU . 47.5 mttt -70.09 -30.36 67.56 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 108.52 -0.919 . . . . 0.0 108.52 177.384 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 589' ' ' ARG . . . . . 0.543 ' HB2' ' O ' ' A' ' 586' ' ' ARG . 15.9 mmt180 -60.86 -28.27 68.73 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 115.138 -0.937 . . . . 0.0 111.1 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 590' ' ' THR . . . . . 0.487 HG22 ' O ' ' A' ' 587' ' ' HIS . 10.9 t -99.36 -17.23 18.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.084 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 591' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -55.08 -65.56 0.56 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.019 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 592' ' ' THR . . . . . . . . . . . . . 74.6 p -122.98 -176.4 3.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.944 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 593' ' ' GLY . . . . . . . . . . . . . . . -65.7 -98.86 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.513 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 594' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -63.72 147.88 50.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.852 0.358 . . . . 0.0 110.88 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 595' ' ' LYS . . . . . . . . . . . . . 1.5 tttt . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.251 -0.881 . . . . 0.0 110.884 -179.973 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 565' ' ' ARG . . . . . . . . . . . . . 38.6 ttm180 . . . . . 0 N--CA 1.488 1.431 0 CA-C-O 120.704 0.288 . . . . 0.0 111.212 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 566' ' ' PRO . . . . . 0.405 ' HD2' ' CE2' ' A' ' 567' ' ' PHE . 97.4 Cg_endo -84.34 47.78 2.29 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.777 2.318 . . . . 0.0 112.802 -179.737 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 567' ' ' PHE . . . . . 0.405 ' CE2' ' HD2' ' A' ' 566' ' ' PRO . 11.4 m-85 -129.34 96.21 4.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.825 0.345 . . . . 0.0 110.797 179.854 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 568' ' ' MET . . . . . . . . . . . . . 9.0 mtp -147.13 119.64 8.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.96 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 569' ' ' CYS . . . . . 0.412 ' N ' HD21 ' A' ' 584' ' ' LEU . 0.1 OUTLIER -61.54 123.91 19.18 Favored 'General case' 0 CA--C 1.531 0.245 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 179.625 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 10.9 p -94.46 37.02 1.13 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.817 -178.743 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 571' ' ' TRP . . . . . 0.465 ' CZ2' ' HB2' ' A' ' 588' ' ' LYS . 1.2 m-90 -63.54 168.59 4.55 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.821 0.343 . . . . 0.0 111.008 179.854 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -51.03 -47.02 61.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.542 -179.388 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 573' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -162.47 75.39 0.43 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.919 0.39 . . . . 0.0 110.981 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 574' ' ' CYS . . . . . . . . . . . . . 44.5 t -101.18 -48.18 4.49 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.642 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . 63.28 59.17 9.3 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.619 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 576' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -152.07 121.79 6.97 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-O 120.861 0.362 . . . . 0.0 110.851 179.766 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 3.3 mtt180 -89.55 163.55 15.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.777 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 578' ' ' PHE . . . . . 0.404 ' HB2' HD11 ' A' ' 584' ' ' LEU . 47.0 m-85 -141.34 163.73 32.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.376 -179.536 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 579' ' ' THR . . . . . . . . . . . . . 16.8 m -113.35 -12.4 13.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.087 179.774 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 580' ' ' ARG . . . . . . . . . . . . . 9.6 mmm180 -139.25 137.17 35.69 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.796 0.331 . . . . 0.0 110.723 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 581' ' ' SER . . . . . . . . . . . . . 18.5 p -58.76 -31.66 68.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.022 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.2 -38.93 74.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.228 -179.798 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 583' ' ' GLU . . . . . 0.538 ' O ' ' HB3' ' A' ' 587' ' ' HIS . 6.0 tp10 -55.32 -54.22 46.32 Favored 'General case' 0 CA--C 1.509 -0.622 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.904 179.797 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 584' ' ' LEU . . . . . 0.483 ' O ' ' HG2' ' A' ' 588' ' ' LYS . 6.8 mp -53.76 -33.32 55.42 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.235 -179.359 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 585' ' ' GLN . . . . . 0.432 ' O ' ' HG2' ' A' ' 588' ' ' LYS . 18.0 mm-40 -65.02 -56.47 12.9 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.07 0.462 . . . . 0.0 109.921 179.264 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 586' ' ' ARG . . . . . 0.432 ' O ' ' HB2' ' A' ' 589' ' ' ARG . 0.8 OUTLIER -72.96 -38.16 66.85 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.845 -0.616 . . . . 0.0 112.008 179.8 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 587' ' ' HIS . . . . . 0.538 ' HB3' ' O ' ' A' ' 583' ' ' GLU . 0.2 OUTLIER -65.5 -44.77 86.01 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 109.206 -0.664 . . . . 0.0 109.206 -179.68 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 588' ' ' LYS . . . . . 0.483 ' HG2' ' O ' ' A' ' 584' ' ' LEU . 0.3 OUTLIER -59.99 -32.03 70.47 Favored 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 178.371 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 589' ' ' ARG . . . . . 0.432 ' HB2' ' O ' ' A' ' 586' ' ' ARG . 0.3 OUTLIER -48.76 -27.47 2.97 Favored 'General case' 0 C--N 1.333 -0.112 0 CA-C-N 114.763 -1.108 . . . . 0.0 110.928 179.613 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 590' ' ' THR . . . . . 0.407 HG22 ' O ' ' A' ' 587' ' ' HIS . 9.5 t -114.93 28.93 8.38 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.688 179.743 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 591' ' ' HIS . . . . . 0.447 ' HB2' ' HA ' ' A' ' 588' ' ' LYS . 0.5 OUTLIER -94.91 141.62 28.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.84 -179.93 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 592' ' ' THR . . . . . . . . . . . . . 11.3 p 55.32 61.64 2.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.075 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 593' ' ' GLY . . . . . . . . . . . . . . . 61.22 36.88 93.08 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.571 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 594' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 60.87 73.73 0.47 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.88 0.372 . . . . 0.0 110.917 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 595' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.199 -0.905 . . . . 0.0 110.989 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 565' ' ' ARG . . . . . . . . . . . . . 9.1 ttm180 . . . . . 0 N--CA 1.489 1.506 0 CA-C-O 120.735 0.302 . . . . 0.0 111.295 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 566' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -70.72 93.87 0.61 Allowed 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.62 2.213 . . . . 0.0 112.595 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 567' ' ' PHE . . . . . 0.71 ' CD1' HD22 ' A' ' 584' ' ' LEU . 0.4 OUTLIER -106.3 155.5 19.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.336 179.571 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 568' ' ' MET . . . . . . . . . . . . . 5.1 ttt -147.37 100.55 3.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.786 0.327 . . . . 0.0 111.747 -179.589 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 569' ' ' CYS . . . . . . . . . . . . . 15.3 t -71.27 86.85 0.81 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.321 -0.4 . . . . 0.0 109.934 179.078 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -73.17 -26.12 61.06 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.533 -179.299 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 571' ' ' TRP . . . . . 0.515 ' CZ2' ' HB2' ' A' ' 588' ' ' LYS . 0.2 OUTLIER 40.66 -163.83 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 120.804 0.335 . . . . 0.0 111.603 -179.829 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 70.4 m -70.47 -24.79 62.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.82 0.343 . . . . 0.0 110.556 179.511 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 573' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -171.71 42.81 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.943 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 574' ' ' CYS . . . . . 0.425 ' CB ' ' HB2' ' A' ' 571' ' ' TRP . 51.5 t -91.83 -50.2 5.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.837 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . 56.35 20.47 29.71 Favored Glycine 0 CA--C 1.519 0.289 0 C-N-CA 120.919 -0.658 . . . . 0.0 113.058 179.677 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 576' ' ' LYS . . . . . 0.446 ' HD3' ' CZ ' ' A' ' 578' ' ' PHE . 34.7 ttmt -88.04 144.61 26.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.799 0.333 . . . . 0.0 110.881 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 16.0 mtt180 -114.46 141.15 48.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.064 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 578' ' ' PHE . . . . . 0.451 ' CE2' ' HG2' ' A' ' 583' ' ' GLU . 4.2 m-85 -131.43 163.97 26.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.978 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 579' ' ' THR . . . . . . . . . . . . . 14.5 m -108.44 -6.16 16.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.58 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 580' ' ' ARG . . . . . . . . . . . . . 1.3 mmm-85 -133.62 143.72 48.79 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.874 0.368 . . . . 0.0 111.088 -179.682 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 581' ' ' SER . . . . . 0.621 ' HA ' HD21 ' A' ' 584' ' ' LEU . 24.4 m -64.54 -43.98 92.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.56 179.677 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 582' ' ' ASP . . . . . 0.435 ' HA ' ' NE2' ' A' ' 585' ' ' GLN . 0.6 OUTLIER -52.96 -33.84 52.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.756 -179.799 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 583' ' ' GLU . . . . . 0.629 ' O ' ' HB3' ' A' ' 587' ' ' HIS . 2.2 tt0 -55.26 -56.06 24.35 Favored 'General case' 0 CA--C 1.51 -0.576 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.56 -179.316 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 584' ' ' LEU . . . . . 0.71 HD22 ' CD1' ' A' ' 567' ' ' PHE . 0.5 OUTLIER -62.49 -33.08 74.16 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.345 -179.206 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 585' ' ' GLN . . . . . 0.447 ' O ' ' HG2' ' A' ' 588' ' ' LYS . 0.0 OUTLIER -58.77 -56.7 18.78 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.157 0.503 . . . . 0.0 109.831 179.288 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 586' ' ' ARG . . . . . 0.421 ' O ' ' CB ' ' A' ' 589' ' ' ARG . 38.7 ptt85 -73.33 -44.7 58.42 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.794 -0.639 . . . . 0.0 112.075 179.514 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 587' ' ' HIS . . . . . 0.629 ' HB3' ' O ' ' A' ' 583' ' ' GLU . 0.2 OUTLIER -60.32 -52.04 66.95 Favored 'General case' 0 CA--C 1.522 -0.126 0 N-CA-C 109.627 -0.509 . . . . 0.0 109.627 -179.716 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 588' ' ' LYS . . . . . 0.515 ' HB2' ' CZ2' ' A' ' 571' ' ' TRP . 47.6 pttt -56.37 -32.08 64.41 Favored 'General case' 0 N--CA 1.455 -0.186 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 178.255 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 589' ' ' ARG . . . . . 0.421 ' CB ' ' O ' ' A' ' 586' ' ' ARG . 1.1 tpt180 -52.98 -30.01 32.53 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-N 114.841 -1.072 . . . . 0.0 110.941 179.602 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 590' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -116.34 29.59 7.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.069 -179.699 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 591' ' ' HIS . . . . . 0.478 ' O ' HG22 ' A' ' 592' ' ' THR . 0.3 OUTLIER -89.39 123.51 33.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.896 -179.956 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 592' ' ' THR . . . . . 0.478 HG22 ' O ' ' A' ' 591' ' ' HIS . 15.0 t 45.41 -167.72 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.361 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 593' ' ' GLY . . . . . . . . . . . . . . . -96.08 67.17 1.05 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.447 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 594' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -121.49 160.36 24.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.811 0.339 . . . . 0.0 110.864 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 595' ' ' LYS . . . . . . . . . . . . . 4.8 mtpm? . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.249 -0.882 . . . . 0.0 110.876 -179.991 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 565' ' ' ARG . . . . . 0.486 ' N ' ' HD2' ' A' ' 566' ' ' PRO . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 111.825 0.306 . . . . 0.0 111.825 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 566' ' ' PRO . . . . . 0.486 ' HD2' ' N ' ' A' ' 565' ' ' ARG . 55.2 Cg_endo -70.78 62.98 2.38 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.193 1.929 . . . . 0.0 112.423 -179.724 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 567' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -129.23 94.09 3.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.717 179.742 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 568' ' ' MET . . . . . . . . . . . . . 2.2 ptt? -125.87 138.37 53.8 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.214 -179.708 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 569' ' ' CYS . . . . . 0.472 ' N ' HD22 ' A' ' 584' ' ' LEU . 0.4 OUTLIER -59.12 138.3 57.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.064 179.604 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 44.0 p -95.64 21.62 8.13 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 112.747 0.647 . . . . 0.0 112.747 -178.271 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 571' ' ' TRP . . . . . 0.447 ' CZ2' ' HB2' ' A' ' 588' ' ' LYS . 0.6 OUTLIER -52.25 -179.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.883 0.373 . . . . 0.0 111.201 179.864 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 82.9 p -59.77 -47.02 87.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.441 -179.637 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 573' ' ' TYR . . . . . . . . . . . . . 21.2 t80 -163.76 79.55 0.42 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.875 0.369 . . . . 0.0 111.09 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 574' ' ' CYS . . . . . . . . . . . . . 43.3 t -101.69 -50.16 3.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.85 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . 63.13 61.16 6.64 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.569 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 576' ' ' LYS . . . . . . . . . . . . . 8.4 mtpt -153.74 109.46 3.24 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-O 120.883 0.373 . . . . 0.0 110.969 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 5.8 mtm-85 -89.53 157.09 18.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.892 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 578' ' ' PHE . . . . . 0.505 ' CD2' ' HB3' ' A' ' 583' ' ' GLU . 7.5 m-85 -135.09 163.89 28.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.137 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 579' ' ' THR . . . . . . . . . . . . . 5.5 m -93.95 -7.86 41.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.727 -179.734 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 580' ' ' ARG . . . . . . . . . . . . . 51.9 mmm-85 -145.07 138.48 26.71 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.849 0.357 . . . . 0.0 111.091 -179.739 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 581' ' ' SER . . . . . 0.457 ' O ' ' NE2' ' A' ' 585' ' ' GLN . 1.2 m -58.35 -35.74 72.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.536 179.718 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 582' ' ' ASP . . . . . 0.422 ' HA ' ' NE2' ' A' ' 585' ' ' GLN . 5.0 m-20 -52.64 -33.53 47.23 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.78 179.785 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 583' ' ' GLU . . . . . 0.55 ' O ' ' HB3' ' A' ' 587' ' ' HIS . 4.5 tp10 -58.64 -55.71 31.51 Favored 'General case' 0 CA--C 1.509 -0.603 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.58 179.351 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 584' ' ' LEU . . . . . 0.472 HD22 ' N ' ' A' ' 569' ' ' CYS . 24.4 mt -57.15 -36.15 70.39 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.429 -179.436 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 585' ' ' GLN . . . . . 0.457 ' NE2' ' O ' ' A' ' 581' ' ' SER . 0.0 OUTLIER -59.6 -56.36 22.89 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.083 0.468 . . . . 0.0 109.909 179.278 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 586' ' ' ARG . . . . . 0.427 ' HA ' ' HB2' ' A' ' 589' ' ' ARG . 11.3 ptm180 -72.77 -43.22 63.12 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.781 -0.645 . . . . 0.0 112.394 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 587' ' ' HIS . . . . . 0.55 ' HB3' ' O ' ' A' ' 583' ' ' GLU . 0.1 OUTLIER -62.03 -53.13 59.85 Favored 'General case' 0 CA--C 1.52 -0.206 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 -179.541 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 588' ' ' LYS . . . . . 0.481 ' HA ' ' HB2' ' A' ' 591' ' ' HIS . 6.4 pttt -58.12 -29.89 65.86 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 108.944 -0.761 . . . . 0.0 108.944 178.271 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 589' ' ' ARG . . . . . 0.427 ' HB2' ' HA ' ' A' ' 586' ' ' ARG . 0.2 OUTLIER -53.02 -32.11 44.91 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 114.931 -1.032 . . . . 0.0 110.784 179.362 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 590' ' ' THR . . . . . 0.487 HG22 ' HA ' ' A' ' 594' ' ' GLU . 0.0 OUTLIER -109.46 17.03 21.84 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.124 -179.932 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 591' ' ' HIS . . . . . 0.481 ' HB2' ' HA ' ' A' ' 588' ' ' LYS . 0.1 OUTLIER -80.29 -65.06 1.05 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.859 0.361 . . . . 0.0 110.695 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 592' ' ' THR . . . . . . . . . . . . . 2.9 t -78.05 -31.53 50.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.715 179.771 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 593' ' ' GLY . . . . . . . . . . . . . . . -131.65 -158.12 8.98 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.392 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 594' ' ' GLU . . . . . 0.487 ' HA ' HG22 ' A' ' 590' ' ' THR . 0.1 OUTLIER -147.75 108.58 4.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.813 0.34 . . . . 0.0 110.905 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 595' ' ' LYS . . . . . . . . . . . . . 3.7 tptt . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.217 -0.897 . . . . 0.0 110.877 179.91 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 565' ' ' ARG . . . . . 0.5 ' N ' ' HD2' ' A' ' 566' ' ' PRO . 2.6 tpp180 . . . . . 0 N--CA 1.489 1.479 0 N-CA-C 112.006 0.373 . . . . 0.0 112.006 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 566' ' ' PRO . . . . . 0.5 ' HD2' ' N ' ' A' ' 565' ' ' ARG . 45.2 Cg_endo -68.77 63.78 1.27 Allowed 'Trans proline' 0 C--N 1.348 0.542 0 C-N-CA 122.054 1.836 . . . . 0.0 112.481 -179.659 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 567' ' ' PHE . . . . . 0.402 ' CE1' ' OG ' ' A' ' 581' ' ' SER . 98.9 m-85 -129.25 118.95 23.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.661 179.706 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 568' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -135.22 124.46 24.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.059 -179.814 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 569' ' ' CYS . . . . . 0.775 ' HA ' HD23 ' A' ' 584' ' ' LEU . 13.4 p -50.91 157.43 0.82 Allowed 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.473 179.668 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 61.5 p -90.39 20.86 4.2 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.174 0.435 . . . . 0.0 112.174 -179.108 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 571' ' ' TRP . . . . . 0.51 ' CD2' ' CD2' ' A' ' 591' ' ' HIS . 7.9 m-90 -102.07 100.27 10.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.859 0.361 . . . . 0.0 110.568 179.457 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 55.5 p -55.07 -30.87 60.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.59 -179.453 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 573' ' ' TYR . . . . . . . . . . . . . 38.7 p90 -92.92 18.43 9.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.435 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 574' ' ' CYS . . . . . 0.437 ' HB2' ' CE1' ' A' ' 591' ' ' HIS . 53.8 t -101.77 -50.31 3.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.773 0.32 . . . . 0.0 110.917 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . 56.37 66.02 3.15 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.531 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 576' ' ' LYS . . . . . . . . . . . . . 9.9 ttmm -160.88 117.72 2.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.869 0.366 . . . . 0.0 111.028 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 8.2 mtt180 -89.74 163.5 15.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.84 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 578' ' ' PHE . . . . . 0.471 ' CD2' ' HB3' ' A' ' 583' ' ' GLU . 6.7 m-85 -137.51 164.2 29.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.966 0.412 . . . . 0.0 111.233 -179.849 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 579' ' ' THR . . . . . . . . . . . . . 30.2 m -98.95 -7.83 26.42 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.673 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 580' ' ' ARG . . . . . . . . . . . . . 24.3 mmt85 -146.22 154.53 41.84 Favored 'General case' 0 C--N 1.334 -0.108 0 CA-C-O 120.953 0.406 . . . . 0.0 111.251 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 581' ' ' SER . . . . . 0.506 ' HA ' HD13 ' A' ' 584' ' ' LEU . 49.5 m -70.37 -35.83 73.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.919 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 582' ' ' ASP . . . . . 0.444 ' HA ' ' NE2' ' A' ' 585' ' ' GLN . 0.1 OUTLIER -52.49 -38.13 58.82 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.912 -179.742 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 583' ' ' GLU . . . . . 0.561 ' O ' ' HB3' ' A' ' 587' ' ' HIS . 2.9 tt0 -55.35 -55.48 31.01 Favored 'General case' 0 CA--C 1.511 -0.522 0 CA-C-O 121.102 0.477 . . . . 0.0 110.639 179.369 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 584' ' ' LEU . . . . . 0.775 HD23 ' HA ' ' A' ' 569' ' ' CYS . 5.6 mp -54.39 -36.14 63.6 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.639 -179.312 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 585' ' ' GLN . . . . . 0.457 ' NE2' ' O ' ' A' ' 581' ' ' SER . 0.0 OUTLIER -63.7 -56.89 12.24 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.641 -0.423 . . . . 0.0 110.23 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 586' ' ' ARG . . . . . 0.554 ' O ' ' HB2' ' A' ' 589' ' ' ARG . 3.4 mtt180 -73.41 -35.76 65.89 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 112.948 0.721 . . . . 0.0 112.948 -179.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 587' ' ' HIS . . . . . 0.561 ' HB3' ' O ' ' A' ' 583' ' ' GLU . 0.1 OUTLIER -68.6 -37.29 79.68 Favored 'General case' 0 CA--C 1.52 -0.196 0 C-N-CA 120.202 -0.599 . . . . 0.0 109.839 -178.953 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 588' ' ' LYS . . . . . 0.454 ' HG3' ' N ' ' A' ' 589' ' ' ARG . 0.4 OUTLIER -62.39 -28.76 70.0 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.327 0.584 . . . . 0.0 109.5 178.65 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 589' ' ' ARG . . . . . 0.554 ' HB2' ' O ' ' A' ' 586' ' ' ARG . 4.6 mmt180 -45.99 -28.92 1.27 Allowed 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 115.116 -0.947 . . . . 0.0 111.131 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 590' ' ' THR . . . . . . . . . . . . . 10.1 t -121.85 42.32 3.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.99 -179.783 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 591' ' ' HIS . . . . . 0.51 ' CD2' ' CD2' ' A' ' 571' ' ' TRP . 0.1 OUTLIER -105.98 -30.14 9.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.895 179.948 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 592' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -114.35 92.28 3.91 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.857 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 593' ' ' GLY . . . . . . . . . . . . . . . 81.68 177.57 51.86 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.548 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 594' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -90.67 106.36 18.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.846 0.355 . . . . 0.0 110.914 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 595' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.239 -0.886 . . . . 0.0 110.882 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 565' ' ' ARG . . . . . 0.434 ' HB2' ' HD3' ' A' ' 566' ' ' PRO . 42.3 mtt85 . . . . . 0 N--CA 1.49 1.568 0 CA-C-O 120.594 0.235 . . . . 0.0 111.542 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 566' ' ' PRO . . . . . 0.434 ' HD3' ' HB2' ' A' ' 565' ' ' ARG . 56.1 Cg_endo -70.05 59.99 1.81 Allowed 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.497 2.131 . . . . 0.0 112.742 -179.825 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 567' ' ' PHE . . . . . . . . . . . . . 83.0 m-85 -129.28 90.8 3.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.539 179.589 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 568' ' ' MET . . . . . . . . . . . . . 2.7 ptt? -131.33 135.89 47.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.926 0.393 . . . . 0.0 111.32 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 569' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -60.53 138.01 58.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.064 179.646 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 31.2 p -98.87 25.97 6.15 Favored 'General case' 0 N--CA 1.464 0.236 0 N-CA-C 112.388 0.514 . . . . 0.0 112.388 -178.575 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 571' ' ' TRP . . . . . 0.464 ' CZ2' ' HB2' ' A' ' 588' ' ' LYS . 0.6 OUTLIER -54.05 -176.3 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.902 0.382 . . . . 0.0 111.19 179.907 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 39.2 t -65.96 -46.89 76.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.31 -179.694 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 573' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -158.7 76.03 0.73 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.961 0.41 . . . . 0.0 111.158 -179.767 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 574' ' ' CYS . . . . . . . . . . . . . 41.5 t -101.71 -50.17 3.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.748 179.744 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . 59.6 60.45 8.73 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.479 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 576' ' ' LYS . . . . . . . . . . . . . 3.9 mttt -154.91 106.85 2.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.872 0.368 . . . . 0.0 111.022 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 14.7 mtt85 -89.5 159.34 17.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.708 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 578' ' ' PHE . . . . . 0.498 ' CD2' ' HB3' ' A' ' 583' ' ' GLU . 9.2 m-85 -134.09 163.71 28.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.928 0.394 . . . . 0.0 110.917 -179.879 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 579' ' ' THR . . . . . 0.423 ' HB ' ' HD2' ' A' ' 580' ' ' ARG . 12.2 m -95.17 -7.84 38.05 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.306 179.837 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 580' ' ' ARG . . . . . 0.446 ' HD2' ' N ' ' A' ' 580' ' ' ARG . 1.9 mpt_? -136.62 137.15 39.82 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-O 120.832 0.349 . . . . 0.0 110.905 -179.876 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 581' ' ' SER . . . . . 0.506 ' HA ' HD23 ' A' ' 584' ' ' LEU . 0.3 OUTLIER -59.07 -40.01 83.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.01 0.433 . . . . 0.0 110.269 179.541 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 582' ' ' ASP . . . . . 0.408 ' HA ' ' NE2' ' A' ' 585' ' ' GLN . 3.1 m-20 -52.85 -34.12 52.87 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.381 179.832 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 583' ' ' GLU . . . . . 0.613 ' O ' ' HB3' ' A' ' 587' ' ' HIS . 8.4 tp10 -55.32 -56.28 21.87 Favored 'General case' 0 CA--C 1.508 -0.659 0 CA-C-O 120.887 0.375 . . . . 0.0 111.062 -179.842 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 584' ' ' LEU . . . . . 0.506 HD23 ' HA ' ' A' ' 581' ' ' SER . 0.6 OUTLIER -59.6 -33.22 71.2 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.749 -0.659 . . . . 0.0 111.11 -179.333 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 585' ' ' GLN . . . . . 0.491 ' O ' ' HG3' ' A' ' 588' ' ' LYS . 0.0 OUTLIER -61.19 -56.53 19.7 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.013 0.435 . . . . 0.0 109.999 179.209 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 586' ' ' ARG . . . . . 0.447 ' HG3' ' N ' ' A' ' 587' ' ' HIS . 12.3 ptt180 -72.99 -41.66 64.09 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.019 -0.537 . . . . 0.0 112.099 179.64 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 587' ' ' HIS . . . . . 0.613 ' HB3' ' O ' ' A' ' 583' ' ' GLU . 0.1 OUTLIER -62.45 -45.84 91.24 Favored 'General case' 0 CA--C 1.521 -0.166 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 -179.643 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 588' ' ' LYS . . . . . 0.491 ' HG3' ' O ' ' A' ' 585' ' ' GLN . 0.0 OUTLIER -61.3 -31.86 71.7 Favored 'General case' 0 N--CA 1.454 -0.274 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 178.312 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 589' ' ' ARG . . . . . 0.482 ' N ' ' HG3' ' A' ' 588' ' ' LYS . 0.3 OUTLIER -51.18 -28.77 11.99 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 114.751 -1.113 . . . . 0.0 111.077 179.8 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 590' ' ' THR . . . . . . . . . . . . . 10.0 t -124.47 32.3 5.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.781 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 591' ' ' HIS . . . . . 0.419 ' HB2' ' HA ' ' A' ' 588' ' ' LYS . 1.2 t-80 -78.47 -50.18 12.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.924 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 592' ' ' THR . . . . . . . . . . . . . 6.0 t -116.87 147.22 42.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 593' ' ' GLY . . . . . . . . . . . . . . . -71.72 161.21 54.22 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.511 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 594' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 60.45 85.11 0.11 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.863 0.363 . . . . 0.0 110.81 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 595' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.242 -0.885 . . . . 0.0 110.938 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 565' ' ' ARG . . . . . 0.427 ' N ' ' CD ' ' A' ' 566' ' ' PRO . 0.4 OUTLIER . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 111.794 0.294 . . . . 0.0 111.794 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 566' ' ' PRO . . . . . 0.427 ' CD ' ' N ' ' A' ' 565' ' ' ARG . 18.2 Cg_exo -66.9 58.27 0.55 Allowed 'Trans proline' 0 C--N 1.348 0.518 0 C-N-CA 122.778 2.318 . . . . 0.0 112.991 -179.553 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 567' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -129.61 123.89 32.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.616 179.409 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 568' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -147.41 127.17 13.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.797 0.332 . . . . 0.0 111.141 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 569' ' ' CYS . . . . . 0.465 ' HA ' HD23 ' A' ' 584' ' ' LEU . 0.5 OUTLIER -61.31 142.69 56.69 Favored 'General case' 0 CA--C 1.532 0.252 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 179.567 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -96.83 10.15 39.75 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.794 0.664 . . . . 0.0 112.794 -178.304 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 571' ' ' TRP . . . . . 0.466 ' CZ2' ' HB2' ' A' ' 588' ' ' LYS . 0.9 OUTLIER -47.44 168.91 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.894 0.378 . . . . 0.0 111.571 -179.809 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 59.7 p -56.85 -47.04 81.3 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.808 -179.128 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 573' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -161.51 82.72 0.61 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.861 0.362 . . . . 0.0 111.36 -179.645 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 574' ' ' CYS . . . . . . . . . . . . . 40.9 t -101.71 -50.21 3.77 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.654 179.715 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . 68.7 51.82 28.34 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.571 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 576' ' ' LYS . . . . . . . . . . . . . 7.8 tttt -149.56 124.48 9.94 Favored 'General case' 0 N--CA 1.453 -0.275 0 CA-C-O 120.838 0.351 . . . . 0.0 110.951 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 11.9 mtt-85 -89.55 163.61 15.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.768 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 578' ' ' PHE . . . . . 0.406 ' HB2' HD11 ' A' ' 584' ' ' LEU . 41.7 m-85 -138.08 163.7 30.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.39 -179.394 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 579' ' ' THR . . . . . . . . . . . . . 19.0 m -109.75 -17.67 13.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.048 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 580' ' ' ARG . . . . . . . . . . . . . 3.7 mmm180 -139.38 143.06 37.55 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.798 0.332 . . . . 0.0 110.74 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 581' ' ' SER . . . . . 0.47 ' O ' ' NE2' ' A' ' 585' ' ' GLN . 78.2 p -60.18 -36.97 78.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.828 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 582' ' ' ASP . . . . . 0.434 ' HA ' ' NE2' ' A' ' 585' ' ' GLN . 1.4 m-20 -52.54 -35.05 52.75 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.081 -179.757 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 583' ' ' GLU . . . . . 0.496 ' O ' ' HB3' ' A' ' 587' ' ' HIS . 4.9 tp10 -58.3 -55.03 40.2 Favored 'General case' 0 CA--C 1.51 -0.586 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.665 179.397 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 584' ' ' LEU . . . . . 0.465 HD23 ' HA ' ' A' ' 569' ' ' CYS . 7.3 mp -54.15 -36.82 63.75 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.04 -179.617 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 585' ' ' GLN . . . . . 0.47 ' NE2' ' O ' ' A' ' 581' ' ' SER . 0.0 OUTLIER -60.06 -56.39 22.17 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.123 0.487 . . . . 0.0 109.886 179.204 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 586' ' ' ARG . . . . . 0.417 ' HA ' ' HB2' ' A' ' 589' ' ' ARG . 4.0 ptm180 -72.8 -42.65 63.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.671 -0.695 . . . . 0.0 112.388 179.85 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 587' ' ' HIS . . . . . 0.496 ' HB3' ' O ' ' A' ' 583' ' ' GLU . 0.2 OUTLIER -62.64 -53.63 51.65 Favored 'General case' 0 CA--C 1.518 -0.256 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 -179.625 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 588' ' ' LYS . . . . . 0.476 ' HA ' ' HB2' ' A' ' 591' ' ' HIS . 0.4 OUTLIER -57.95 -31.13 66.56 Favored 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 178.449 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 589' ' ' ARG . . . . . 0.417 ' HB2' ' HA ' ' A' ' 586' ' ' ARG . 0.0 OUTLIER -48.88 -30.34 5.73 Favored 'General case' 0 C--O 1.231 0.109 0 CA-C-N 114.954 -1.021 . . . . 0.0 110.944 179.373 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 590' ' ' THR . . . . . . . . . . . . . 4.2 t -121.63 28.09 7.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.856 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 591' ' ' HIS . . . . . 0.476 ' HB2' ' HA ' ' A' ' 588' ' ' LYS . 1.5 t-80 -72.96 -25.35 60.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.94 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 592' ' ' THR . . . . . . . . . . . . . 2.1 t 43.35 91.49 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.52 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 593' ' ' GLY . . . . . . . . . . . . . . . -165.4 -57.41 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.532 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 594' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -118.59 -40.94 2.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.819 0.342 . . . . 0.0 110.949 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 595' ' ' LYS . . . . . . . . . . . . . 1.1 ttpt . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.196 -0.906 . . . . 0.0 110.879 -179.978 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 565' ' ' ARG . . . . . 0.425 ' N ' ' HD2' ' A' ' 566' ' ' PRO . 1.7 mtt-85 . . . . . 0 N--CA 1.49 1.561 0 CA-C-O 120.594 0.235 . . . . 0.0 111.53 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 566' ' ' PRO . . . . . 0.425 ' HD2' ' N ' ' A' ' 565' ' ' ARG . 51.8 Cg_endo -69.22 60.98 1.42 Allowed 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.517 2.145 . . . . 0.0 112.638 -179.81 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 567' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -129.28 119.57 24.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.71 179.618 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 568' ' ' MET . . . . . . . . . . . . . 7.2 ptt? -147.34 129.94 15.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.911 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 569' ' ' CYS . . . . . 0.402 ' SG ' ' HB3' ' A' ' 574' ' ' CYS . 0.5 OUTLIER -59.78 140.5 56.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.071 179.68 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 44.9 p -89.95 3.69 52.34 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 112.794 0.664 . . . . 0.0 112.794 -178.368 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 571' ' ' TRP . . . . . 0.453 ' CH2' ' HB2' ' A' ' 588' ' ' LYS . 0.8 OUTLIER -46.24 167.3 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 120.937 0.399 . . . . 0.0 111.58 -179.713 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 3.4 m -57.01 -47.18 81.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.886 -179.16 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 573' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -163.34 87.34 0.54 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.833 0.349 . . . . 0.0 111.337 -179.647 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 574' ' ' CYS . . . . . 0.402 ' HB3' ' SG ' ' A' ' 569' ' ' CYS . 43.3 t -101.67 -50.22 3.77 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.573 179.65 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . 74.81 43.89 26.75 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.913 -0.66 . . . . 0.0 112.681 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 576' ' ' LYS . . . . . . . . . . . . . 58.1 mttt -144.83 122.93 12.12 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-O 120.823 0.344 . . . . 0.0 110.977 179.792 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 5.6 mtt180 -89.48 163.56 15.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.632 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 578' ' ' PHE . . . . . 0.421 ' CD2' ' HB3' ' A' ' 583' ' ' GLU . 60.4 m-85 -136.74 163.91 29.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.116 0.484 . . . . 0.0 111.449 -179.346 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 579' ' ' THR . . . . . . . . . . . . . 1.7 m -109.92 -17.92 13.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.831 179.636 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 580' ' ' ARG . . . . . 0.426 ' HD3' ' N ' ' A' ' 580' ' ' ARG . 1.3 mpp_? -130.19 137.16 49.94 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-O 120.88 0.371 . . . . 0.0 111.138 -179.845 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 581' ' ' SER . . . . . 0.439 ' O ' ' HG ' ' A' ' 584' ' ' LEU . 0.3 OUTLIER -60.64 -21.94 63.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.066 179.737 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 582' ' ' ASP . . . . . 0.426 ' HA ' ' HG2' ' A' ' 585' ' ' GLN . 1.1 m-20 -73.21 -34.49 65.96 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.772 -179.307 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 583' ' ' GLU . . . . . 0.452 ' O ' ' HB3' ' A' ' 587' ' ' HIS . 4.0 tp10 -55.07 -55.33 32.28 Favored 'General case' 0 CA--C 1.509 -0.604 0 CA-C-O 120.837 0.351 . . . . 0.0 111.232 -179.542 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 584' ' ' LEU . . . . . 0.772 HD12 HE22 ' A' ' 585' ' ' GLN . 0.0 OUTLIER -53.97 -32.62 54.53 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.964 -179.457 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 585' ' ' GLN . . . . . 0.772 HE22 HD12 ' A' ' 584' ' ' LEU . 16.2 mm-40 -63.89 -56.25 16.68 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.122 0.487 . . . . 0.0 109.952 179.042 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 586' ' ' ARG . . . . . 0.431 ' HA ' ' HB2' ' A' ' 589' ' ' ARG . 2.6 ptm180 -72.63 -39.54 67.15 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.718 -0.673 . . . . 0.0 112.431 -179.842 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 587' ' ' HIS . . . . . 0.452 ' HB3' ' O ' ' A' ' 583' ' ' GLU . 0.1 OUTLIER -65.3 -52.34 54.76 Favored 'General case' 0 CA--C 1.519 -0.218 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 -179.854 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 588' ' ' LYS . . . . . 0.493 ' HA ' ' HB2' ' A' ' 591' ' ' HIS . 14.2 pttt -59.8 -30.87 69.2 Favored 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 178.404 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 589' ' ' ARG . . . . . 0.431 ' HB2' ' HA ' ' A' ' 586' ' ' ARG . 0.0 OUTLIER -47.08 -32.68 4.3 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 114.996 -1.002 . . . . 0.0 110.784 179.396 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 590' ' ' THR . . . . . . . . . . . . . 4.0 t -123.91 27.98 7.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.649 179.754 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 591' ' ' HIS . . . . . 0.493 ' HB2' ' HA ' ' A' ' 588' ' ' LYS . 1.7 t-80 -63.67 -51.84 63.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.916 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 592' ' ' THR . . . . . . . . . . . . . 1.7 t -149.65 91.2 1.78 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.849 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 593' ' ' GLY . . . . . . . . . . . . . . . 91.19 -105.61 3.29 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.505 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 594' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -155.88 98.01 1.87 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.859 0.361 . . . . 0.0 110.847 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 595' ' ' LYS . . . . . . . . . . . . . 11.5 mttt . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.237 -0.887 . . . . 0.0 110.9 179.979 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 565' ' ' ARG . . . . . 0.887 ' HD3' HG23 ' A' ' 579' ' ' THR . 2.8 mpt_? . . . . . 0 N--CA 1.486 1.35 0 CA-C-O 120.682 0.277 . . . . 0.0 111.203 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 566' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_endo -83.42 47.93 2.5 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.79 2.327 . . . . 0.0 112.631 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 567' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 -129.33 104.13 7.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.796 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 568' ' ' MET . . . . . 0.422 ' CE ' HG23 ' A' ' 570' ' ' THR . 0.0 OUTLIER -147.28 121.16 9.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.082 -179.884 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 569' ' ' CYS . . . . . 0.409 ' N ' ' CD2' ' A' ' 584' ' ' LEU . 0.1 OUTLIER -60.17 125.35 23.35 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 179.552 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 570' ' ' THR . . . . . 0.422 HG23 ' CE ' ' A' ' 568' ' ' MET . 2.6 p -92.9 37.85 1.02 Allowed 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 111.972 0.36 . . . . 0.0 111.972 -178.717 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 571' ' ' TRP . . . . . 0.468 ' CZ2' ' HB2' ' A' ' 588' ' ' LYS . 1.2 m-90 -65.31 169.22 6.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.879 0.371 . . . . 0.0 111.129 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -52.08 -46.95 65.4 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.654 -179.439 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 573' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -161.14 73.0 0.45 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.902 0.382 . . . . 0.0 111.133 -179.804 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 574' ' ' CYS . . . . . . . . . . . . . 41.6 t -101.5 -46.47 4.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.533 179.648 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . 58.47 64.27 4.47 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.614 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 576' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -155.5 123.81 5.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.867 0.365 . . . . 0.0 110.938 179.81 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -89.52 163.53 15.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.654 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 578' ' ' PHE . . . . . . . . . . . . . 41.8 m-85 -138.16 163.68 31.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.031 0.444 . . . . 0.0 111.435 -179.452 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 579' ' ' THR . . . . . 0.887 HG23 ' HD3' ' A' ' 565' ' ' ARG . 30.0 m -108.02 -15.89 14.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.108 179.819 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 580' ' ' ARG . . . . . . . . . . . . . 7.9 mmt85 -140.5 140.26 35.26 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.872 0.367 . . . . 0.0 110.699 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 581' ' ' SER . . . . . 0.609 ' HA ' HD12 ' A' ' 584' ' ' LEU . 0.9 OUTLIER -58.25 -39.9 80.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.063 -179.845 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -52.66 -34.09 50.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.207 -179.722 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 583' ' ' GLU . . . . . 0.523 ' O ' ' HB3' ' A' ' 587' ' ' HIS . 4.3 tp10 -56.68 -55.11 38.19 Favored 'General case' 0 CA--C 1.507 -0.688 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.914 179.602 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 584' ' ' LEU . . . . . 0.609 HD12 ' HA ' ' A' ' 581' ' ' SER . 0.8 OUTLIER -53.91 -33.01 55.37 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.112 -179.311 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 585' ' ' GLN . . . . . 0.47 ' NE2' ' O ' ' A' ' 581' ' ' SER . 0.1 OUTLIER -66.03 -56.14 13.1 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.047 0.451 . . . . 0.0 109.806 179.354 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 586' ' ' ARG . . . . . 0.416 ' O ' ' HB2' ' A' ' 589' ' ' ARG . 1.0 OUTLIER -72.61 -37.91 67.96 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.887 -0.597 . . . . 0.0 112.175 179.842 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 587' ' ' HIS . . . . . 0.523 ' HB3' ' O ' ' A' ' 583' ' ' GLU . 0.1 OUTLIER -65.51 -43.36 90.32 Favored 'General case' 0 CA--C 1.518 -0.283 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 -179.951 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 588' ' ' LYS . . . . . 0.525 ' HG3' ' N ' ' A' ' 589' ' ' ARG . 0.2 OUTLIER -60.01 -32.35 70.79 Favored 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 178.437 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 589' ' ' ARG . . . . . 0.525 ' N ' ' HG3' ' A' ' 588' ' ' LYS . 0.0 OUTLIER -50.66 -27.85 7.76 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-N 114.719 -1.128 . . . . 0.0 110.804 179.522 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 590' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -116.54 26.73 9.66 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.779 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 591' ' ' HIS . . . . . 0.434 ' HB2' ' HA ' ' A' ' 588' ' ' LYS . 1.8 t-80 -83.51 -32.1 26.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.971 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 592' ' ' THR . . . . . . . . . . . . . 2.1 t -159.35 -45.6 0.05 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.974 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 593' ' ' GLY . . . . . . . . . . . . . . . 155.21 45.6 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.466 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 594' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -110.27 81.23 1.4 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.859 0.361 . . . . 0.0 110.877 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 595' ' ' LYS . . . . . . . . . . . . . 25.1 ttpp . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.253 -0.879 . . . . 0.0 110.925 -179.995 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 565' ' ' ARG . . . . . 0.601 ' HG2' HG23 ' A' ' 579' ' ' THR . 9.6 mtp180 . . . . . 0 N--CA 1.487 1.4 0 CA-C-O 120.677 0.275 . . . . 0.0 111.148 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 566' ' ' PRO . . . . . 0.42 ' HD2' ' CE2' ' A' ' 567' ' ' PHE . 83.2 Cg_endo -81.71 49.33 3.14 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.694 2.263 . . . . 0.0 112.798 -179.765 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 567' ' ' PHE . . . . . 0.42 ' CE2' ' HD2' ' A' ' 566' ' ' PRO . 14.3 m-85 -129.32 90.84 3.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.867 0.365 . . . . 0.0 110.769 179.716 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 568' ' ' MET . . . . . 0.53 ' C ' HD21 ' A' ' 584' ' ' LEU . 0.7 OUTLIER -136.24 135.85 39.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.771 179.931 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 569' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -55.89 143.69 30.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.372 179.912 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 39.6 p -89.55 13.62 13.5 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 112.765 0.654 . . . . 0.0 112.765 -178.429 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 571' ' ' TRP . . . . . 0.468 ' CZ2' ' HB3' ' A' ' 591' ' ' HIS . 0.8 OUTLIER -56.32 168.32 0.55 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.795 0.331 . . . . 0.0 110.998 -179.995 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 57.7 m -57.65 -47.06 83.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.445 -179.526 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 573' ' ' TYR . . . . . 0.405 ' O ' ' CD2' ' A' ' 573' ' ' TYR . 15.8 p90 -163.9 86.32 0.49 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.924 0.393 . . . . 0.0 110.957 -179.905 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 574' ' ' CYS . . . . . . . . . . . . . 9.2 t -101.6 -50.06 3.83 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.96 -179.961 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . 81.08 4.01 90.58 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.821 -179.897 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 576' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.59 99.37 12.3 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-O 120.811 0.339 . . . . 0.0 110.959 -179.886 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 26.9 mtt85 -89.52 144.24 26.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.553 179.73 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 578' ' ' PHE . . . . . 0.489 ' CD2' ' HB3' ' A' ' 583' ' ' GLU . 20.1 m-85 -134.27 164.11 28.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.452 -179.475 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 579' ' ' THR . . . . . 0.601 HG23 ' HG2' ' A' ' 565' ' ' ARG . 59.5 m -105.88 -7.37 18.27 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.486 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 580' ' ' ARG . . . . . 0.407 ' HD2' ' N ' ' A' ' 580' ' ' ARG . 1.7 mpt_? -130.62 137.12 49.47 Favored 'General case' 0 N--CA 1.456 -0.158 0 CA-C-O 120.81 0.338 . . . . 0.0 111.009 -179.766 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 581' ' ' SER . . . . . 0.401 ' O ' ' HG2' ' A' ' 585' ' ' GLN . 9.8 t -60.03 -33.54 72.16 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.499 179.671 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.54 -40.7 65.72 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.049 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 583' ' ' GLU . . . . . 0.566 ' O ' ' HB3' ' A' ' 587' ' ' HIS . 2.6 tp10 -55.23 -55.42 31.47 Favored 'General case' 0 CA--C 1.509 -0.605 0 CA-C-O 121.054 0.454 . . . . 0.0 110.6 179.612 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 584' ' ' LEU . . . . . 0.537 ' H ' HD12 ' A' ' 584' ' ' LEU . 6.5 mp -55.23 -33.26 62.96 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.745 -179.232 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 585' ' ' GLN . . . . . 0.439 ' O ' ' HG2' ' A' ' 589' ' ' ARG . 21.9 mm-40 -66.63 -56.78 9.1 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.326 -0.55 . . . . 0.0 109.932 179.62 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 586' ' ' ARG . . . . . 0.549 ' O ' ' HB2' ' A' ' 589' ' ' ARG . 2.3 ptm180 -72.78 -36.99 67.75 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.898 0.703 . . . . 0.0 112.898 -179.722 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 587' ' ' HIS . . . . . 0.566 ' HB3' ' O ' ' A' ' 583' ' ' GLU . 0.1 OUTLIER -68.35 -34.81 76.76 Favored 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 -179.616 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 588' ' ' LYS . . . . . 0.457 ' HB2' ' O ' ' A' ' 584' ' ' LEU . 87.7 mttt -72.77 -28.73 62.78 Favored 'General case' 0 N--CA 1.45 -0.433 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 178.27 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 589' ' ' ARG . . . . . 0.549 ' HB2' ' O ' ' A' ' 586' ' ' ARG . 12.2 mmm-85 -54.09 -24.65 18.26 Favored 'General case' 0 C--O 1.231 0.119 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.85 179.62 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 590' ' ' THR . . . . . . . . . . . . . 7.9 t -113.74 17.66 17.96 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.137 179.941 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 591' ' ' HIS . . . . . 0.468 ' HB3' ' CZ2' ' A' ' 571' ' ' TRP . 0.1 OUTLIER -85.48 -68.22 0.75 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.895 0.379 . . . . 0.0 110.773 179.983 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 592' ' ' THR . . . . . . . . . . . . . 5.3 t -129.01 156.53 43.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.869 -180.0 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 593' ' ' GLY . . . . . . . . . . . . . . . 60.75 156.39 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.52 -179.991 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 594' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -92.96 122.66 35.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.856 0.36 . . . . 0.0 110.95 179.999 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 595' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.26 -0.876 . . . . 0.0 110.871 -179.941 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 565' ' ' ARG . . . . . 0.438 ' HB3' ' CD2' ' A' ' 567' ' ' PHE . 4.4 mmt85 . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.67 0.271 . . . . 0.0 111.113 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 566' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_endo -80.75 52.4 4.33 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.696 2.264 . . . . 0.0 112.594 -179.918 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 567' ' ' PHE . . . . . 0.494 ' HB3' HD11 ' A' ' 584' ' ' LEU . 63.3 m-85 -129.32 93.49 3.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.77 179.885 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 568' ' ' MET . . . . . . . . . . . . . 16.8 ptt? -135.13 127.51 30.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.876 -179.945 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 569' ' ' CYS . . . . . 0.426 ' N ' ' CD2' ' A' ' 584' ' ' LEU . 0.5 OUTLIER -62.35 130.65 46.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.264 -0.425 . . . . 0.0 109.864 179.732 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 1.2 p -88.72 16.04 7.34 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 112.67 0.619 . . . . 0.0 112.67 -178.383 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 571' ' ' TRP . . . . . 0.508 ' CZ2' ' HB2' ' A' ' 588' ' ' LYS . 0.8 OUTLIER -50.23 171.64 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.886 0.374 . . . . 0.0 111.307 179.995 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 60.2 p -56.72 -47.02 80.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.435 -179.555 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 573' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -165.34 84.19 0.36 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.833 0.349 . . . . 0.0 111.13 -179.817 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 574' ' ' CYS . . . . . . . . . . . . . 51.7 t -101.6 -50.17 3.8 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.723 179.803 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . 71.45 47.41 35.35 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.557 179.953 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 576' ' ' LYS . . . . . . . . . . . . . 43.1 mttm -145.44 121.42 10.69 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-O 120.851 0.357 . . . . 0.0 111.024 179.899 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.43 163.58 15.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.626 179.815 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 578' ' ' PHE . . . . . . . . . . . . . 38.4 m-85 -136.83 163.69 30.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.003 0.43 . . . . 0.0 111.602 -179.27 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 579' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -106.19 -15.58 14.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.063 179.754 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 580' ' ' ARG . . . . . . . . . . . . . 4.7 mtm180 -142.24 149.02 39.06 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.878 0.371 . . . . 0.0 110.764 179.953 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 581' ' ' SER . . . . . 0.48 ' O ' ' NE2' ' A' ' 585' ' ' GLN . 0.3 OUTLIER -64.21 -37.2 86.63 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.08 -179.839 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 582' ' ' ASP . . . . . 0.44 ' HA ' ' NE2' ' A' ' 585' ' ' GLN . 6.9 t0 -52.47 -37.98 58.31 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.431 -179.551 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 583' ' ' GLU . . . . . 0.534 ' O ' ' HB3' ' A' ' 587' ' ' HIS . 5.1 tt0 -55.65 -55.04 36.77 Favored 'General case' 0 CA--C 1.508 -0.668 0 CA-C-O 120.858 0.361 . . . . 0.0 110.993 179.641 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 584' ' ' LEU . . . . . 0.507 ' O ' ' HG2' ' A' ' 588' ' ' LYS . 1.7 mp -53.89 -33.06 55.39 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.136 -179.294 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 585' ' ' GLN . . . . . 0.48 ' NE2' ' O ' ' A' ' 581' ' ' SER . 0.0 OUTLIER -65.13 -56.73 11.27 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.015 0.436 . . . . 0.0 109.979 179.277 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 586' ' ' ARG . . . . . 0.42 ' O ' ' HB2' ' A' ' 589' ' ' ARG . 0.3 OUTLIER -72.87 -37.56 67.3 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.896 -0.593 . . . . 0.0 112.325 179.914 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 587' ' ' HIS . . . . . 0.534 ' HB3' ' O ' ' A' ' 583' ' ' GLU . 0.2 OUTLIER -65.85 -41.94 91.07 Favored 'General case' 0 CA--C 1.518 -0.261 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 -179.972 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 588' ' ' LYS . . . . . 0.521 ' HG3' ' N ' ' A' ' 589' ' ' ARG . 0.1 OUTLIER -61.84 -32.65 72.99 Favored 'General case' 0 N--CA 1.45 -0.444 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 178.303 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 589' ' ' ARG . . . . . 0.521 ' N ' ' HG3' ' A' ' 588' ' ' LYS . 0.1 OUTLIER -50.87 -26.99 6.51 Favored 'General case' 0 C--O 1.231 0.121 0 CA-C-N 114.736 -1.12 . . . . 0.0 111.028 179.634 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 590' ' ' THR . . . . . . . . . . . . . 9.2 t -120.37 30.33 7.01 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.758 179.928 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 591' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -86.42 -33.45 20.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.861 -179.944 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 592' ' ' THR . . . . . . . . . . . . . 3.5 t -146.47 176.33 9.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.882 -179.99 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 593' ' ' GLY . . . . . . . . . . . . . . . -104.76 39.26 2.9 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.506 179.947 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 594' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -84.71 -45.96 11.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.851 0.357 . . . . 0.0 110.883 -179.964 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 595' ' ' LYS . . . . . . . . . . . . . 12.0 mttt . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.241 -0.885 . . . . 0.0 110.859 -179.96 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 565' ' ' ARG . . . . . 0.446 ' HB3' ' CD2' ' A' ' 567' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.415 0 CA-C-O 120.689 0.281 . . . . 0.0 111.152 . . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 566' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -72.58 60.91 3.52 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.594 2.196 . . . . 0.0 112.437 -179.892 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 567' ' ' PHE . . . . . 0.446 ' CD2' ' HB3' ' A' ' 565' ' ' ARG . 59.7 m-85 -129.36 100.48 5.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.807 179.857 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 568' ' ' MET . . . . . . . . . . . . . 18.8 ptp -138.15 130.26 28.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.055 -179.953 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 569' ' ' CYS . . . . . 0.511 ' N ' HD22 ' A' ' 584' ' ' LEU . 0.5 OUTLIER -57.32 135.49 56.5 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.195 179.753 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 17.3 p -92.83 33.92 1.12 Allowed 'General case' 0 N--CA 1.463 0.212 0 N-CA-C 112.57 0.581 . . . . 0.0 112.57 -178.441 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 571' ' ' TRP . . . . . 0.478 ' CZ2' ' HB2' ' A' ' 588' ' ' LYS . 1.3 m-90 -67.22 -177.43 0.67 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.86 0.362 . . . . 0.0 110.939 179.552 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 2.6 t -70.69 -46.87 62.36 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.95 -179.962 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 573' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -158.2 77.64 0.8 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 179.938 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 574' ' ' CYS . . . . . . . . . . . . . 41.7 t -101.23 -49.91 3.93 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.723 179.95 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . 63.03 61.59 6.26 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.627 179.885 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 576' ' ' LYS . . . . . . . . . . . . . 2.8 mtpm? -154.37 107.53 2.87 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-O 120.921 0.391 . . . . 0.0 110.895 179.827 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 4.3 mtt180 -89.5 156.48 18.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.676 179.968 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 578' ' ' PHE . . . . . 0.49 ' CD2' ' HB3' ' A' ' 583' ' ' GLU . 9.9 m-85 -135.87 163.89 29.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.032 0.444 . . . . 0.0 111.277 -179.869 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 579' ' ' THR . . . . . . . . . . . . . 27.2 m -100.6 -6.04 25.85 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.464 -179.928 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 580' ' ' ARG . . . . . . . . . . . . . 2.3 mmm180 -138.82 137.12 36.33 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.834 0.349 . . . . 0.0 110.883 -179.762 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 581' ' ' SER . . . . . 0.452 ' O ' ' NE2' ' A' ' 585' ' ' GLN . 88.3 p -59.29 -38.36 80.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.389 179.695 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 582' ' ' ASP . . . . . 0.416 ' O ' ' HG3' ' A' ' 586' ' ' ARG . 85.1 m-20 -52.84 -35.08 56.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.281 -179.981 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 583' ' ' GLU . . . . . 0.565 ' O ' ' HB3' ' A' ' 587' ' ' HIS . 4.8 tp10 -55.22 -56.14 23.36 Favored 'General case' 0 CA--C 1.509 -0.622 0 CA-C-O 120.998 0.428 . . . . 0.0 110.928 179.917 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 584' ' ' LEU . . . . . 0.511 HD22 ' N ' ' A' ' 569' ' ' CYS . 18.8 mt -55.7 -33.77 64.48 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.706 -179.2 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 585' ' ' GLN . . . . . 0.46 ' O ' ' CG ' ' A' ' 588' ' ' LYS . 0.1 OUTLIER -64.78 -56.35 14.12 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.0 0.428 . . . . 0.0 109.902 179.803 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 586' ' ' ARG . . . . . 0.557 ' O ' ' HB2' ' A' ' 589' ' ' ARG . 24.9 mtm180 -73.5 -38.24 65.44 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.938 -0.574 . . . . 0.0 112.526 179.782 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 587' ' ' HIS . . . . . 0.565 ' HB3' ' O ' ' A' ' 583' ' ' GLU . 0.1 OUTLIER -64.62 -36.77 85.32 Favored 'General case' 0 CA--C 1.518 -0.276 0 C-N-CA 120.299 -0.56 . . . . 0.0 109.762 -179.11 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 588' ' ' LYS . . . . . 0.478 ' HB2' ' CZ2' ' A' ' 571' ' ' TRP . 0.6 OUTLIER -62.82 -30.59 71.6 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 178.662 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 589' ' ' ARG . . . . . 0.557 ' HB2' ' O ' ' A' ' 586' ' ' ARG . 31.2 mmt180 -50.25 -29.39 9.45 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.214 -0.903 . . . . 0.0 110.866 179.478 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 590' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -113.48 28.97 8.35 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.948 -179.672 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 591' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -94.22 -53.54 3.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.909 -179.904 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 592' ' ' THR . . . . . 0.415 HG23 ' N ' ' A' ' 593' ' ' GLY . 10.1 t -96.44 -45.19 6.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.937 -179.986 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 593' ' ' GLY . . . . . 0.415 ' N ' HG23 ' A' ' 592' ' ' THR . . . 117.03 79.63 0.74 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.431 -179.941 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 594' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -165.67 142.9 5.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.777 0.322 . . . . 0.0 110.939 -179.948 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 595' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.242 -0.885 . . . . 0.0 110.858 -179.956 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 565' ' ' ARG . . . . . 0.465 ' N ' ' HD2' ' A' ' 566' ' ' PRO . 22.3 mtt180 . . . . . 0 N--CA 1.489 1.485 0 N-CA-C 111.743 0.275 . . . . 0.0 111.743 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 566' ' ' PRO . . . . . 0.465 ' HD2' ' N ' ' A' ' 565' ' ' ARG . 74.0 Cg_endo -76.42 58.45 5.78 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.207 1.938 . . . . 0.0 112.465 -179.882 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 567' ' ' PHE . . . . . 0.419 ' CD1' ' HB3' ' A' ' 581' ' ' SER . 79.0 m-85 -129.23 131.48 47.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.702 179.752 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 568' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -147.35 129.22 15.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.198 -179.817 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 569' ' ' CYS . . . . . 0.419 ' HB2' ' CE3' ' A' ' 571' ' ' TRP . 7.7 p -63.25 150.89 42.01 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 179.187 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 40.4 p -89.08 24.45 2.12 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 -179.028 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 571' ' ' TRP . . . . . 0.47 ' CZ2' ' HB2' ' A' ' 588' ' ' LYS . 7.9 m-90 -101.07 98.23 8.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.78 0.324 . . . . 0.0 110.738 179.386 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 67.0 m -50.24 -46.19 54.58 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.029 -179.851 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 573' ' ' TYR . . . . . . . . . . . . . 31.5 t80 -62.58 -18.27 61.78 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.066 179.806 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 574' ' ' CYS . . . . . 0.468 ' HB2' ' CE1' ' A' ' 591' ' ' HIS . 33.7 t -82.49 -50.38 8.9 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.221 -179.827 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . 47.79 70.02 0.81 Allowed Glycine 0 C--N 1.331 0.277 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.461 -179.71 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 576' ' ' LYS . . . . . 0.435 ' HE2' ' CE2' ' A' ' 578' ' ' PHE . 6.4 tttp -156.24 133.02 10.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.871 0.367 . . . . 0.0 111.096 -179.666 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 15.3 mtt-85 -89.59 158.63 17.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.499 179.739 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 578' ' ' PHE . . . . . 0.438 ' CD2' ' HB3' ' A' ' 583' ' ' GLU . 53.2 m-85 -128.77 160.87 31.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.044 0.45 . . . . 0.0 111.462 -179.613 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 579' ' ' THR . . . . . . . . . . . . . 4.5 m -90.84 -21.41 21.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.578 179.472 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 580' ' ' ARG . . . . . . . . . . . . . 32.5 mmm180 -141.36 137.13 32.12 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.43 179.697 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 581' ' ' SER . . . . . 0.613 ' HA ' HD23 ' A' ' 584' ' ' LEU . 0.1 OUTLIER -56.59 -38.62 72.27 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.101 -179.724 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 582' ' ' ASP . . . . . 0.438 ' HA ' ' NE2' ' A' ' 585' ' ' GLN . 10.2 m-20 -52.64 -35.36 54.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.781 -179.539 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 583' ' ' GLU . . . . . 0.555 ' O ' ' HB3' ' A' ' 587' ' ' HIS . 4.5 tp10 -56.95 -55.95 27.96 Favored 'General case' 0 CA--C 1.509 -0.623 0 CA-C-O 121.056 0.455 . . . . 0.0 111.187 -179.84 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 584' ' ' LEU . . . . . 0.613 HD23 ' HA ' ' A' ' 581' ' ' SER . 0.7 OUTLIER -56.35 -32.68 64.93 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.341 -178.905 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 585' ' ' GLN . . . . . 0.465 ' NE2' ' O ' ' A' ' 581' ' ' SER . 0.0 OUTLIER -62.76 -56.82 14.06 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 179.294 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 586' ' ' ARG . . . . . 0.59 ' O ' ' HD2' ' A' ' 589' ' ' ARG . 0.0 OUTLIER -73.39 -41.7 63.03 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.949 -0.569 . . . . 0.0 112.458 179.474 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 587' ' ' HIS . . . . . 0.555 ' HB3' ' O ' ' A' ' 583' ' ' GLU . 0.0 OUTLIER -58.82 -26.09 63.8 Favored 'General case' 0 C--N 1.333 -0.142 0 C-N-CA 120.646 -0.422 . . . . 0.0 110.114 -179.522 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 588' ' ' LYS . . . . . 0.542 ' HB3' ' O ' ' A' ' 584' ' ' LEU . 6.3 pttt -65.28 -27.97 69.0 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.92 178.983 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 589' ' ' ARG . . . . . 0.59 ' HD2' ' O ' ' A' ' 586' ' ' ARG . 0.0 OUTLIER -45.36 -29.42 1.05 Allowed 'General case' 0 C--O 1.231 0.121 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.751 -179.545 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 590' ' ' THR . . . . . 0.428 ' N ' ' CD ' ' A' ' 589' ' ' ARG . 9.5 t -113.22 37.18 3.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.804 179.705 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 591' ' ' HIS . . . . . 0.468 ' CE1' ' HB2' ' A' ' 574' ' ' CYS . 0.0 OUTLIER -114.25 152.16 31.74 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.868 -179.967 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 592' ' ' THR . . . . . 0.467 HG23 ' HE1' ' A' ' 571' ' ' TRP . 17.2 p 52.88 -170.13 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.058 179.876 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 593' ' ' GLY . . . . . . . . . . . . . . . -103.45 40.21 2.52 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.639 -179.969 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 594' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -94.42 -50.06 5.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.804 0.335 . . . . 0.0 110.876 179.913 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 595' ' ' LYS . . . . . . . . . . . . . 12.0 mtpt . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.212 -0.899 . . . . 0.0 110.916 179.916 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 565' ' ' ARG . . . . . 0.635 ' HG3' HG23 ' A' ' 579' ' ' THR . 2.3 mtt-85 . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.679 0.276 . . . . 0.0 111.081 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 566' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_endo -83.02 47.36 2.41 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.812 2.341 . . . . 0.0 112.937 -179.717 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 567' ' ' PHE . . . . . 0.451 ' CD2' ' HB3' ' A' ' 565' ' ' ARG . 32.3 m-85 -129.31 105.58 8.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.731 179.733 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 568' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -147.45 125.71 12.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.022 -179.944 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 569' ' ' CYS . . . . . 0.408 ' N ' ' CD2' ' A' ' 584' ' ' LEU . 0.1 OUTLIER -60.69 125.28 23.12 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 179.522 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 31.9 p -93.77 34.9 1.17 Allowed 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 111.965 0.358 . . . . 0.0 111.965 -178.812 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 571' ' ' TRP . . . . . 0.494 ' CZ2' ' HB2' ' A' ' 588' ' ' LYS . 1.2 m-90 -60.33 171.87 0.97 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.849 0.357 . . . . 0.0 111.072 179.732 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 87.6 p -53.45 -46.95 70.08 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.306 -179.714 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 573' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -161.94 75.35 0.46 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.003 0.43 . . . . 0.0 110.917 179.967 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 574' ' ' CYS . . . . . . . . . . . . . 40.4 t -101.45 -49.1 4.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.711 179.857 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . 62.62 64.33 3.94 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.444 179.981 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 576' ' ' LYS . . . . . . . . . . . . . 33.6 mttt -158.02 121.13 3.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.807 0.337 . . . . 0.0 110.909 179.902 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 7.8 mtp85 -89.55 163.47 15.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 179.901 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 578' ' ' PHE . . . . . 0.437 ' CD2' ' HB3' ' A' ' 583' ' ' GLU . 75.6 m-85 -139.75 163.71 31.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.31 -179.528 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 579' ' ' THR . . . . . 0.635 HG23 ' HG3' ' A' ' 565' ' ' ARG . 68.6 m -100.6 -16.07 17.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.269 179.944 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 580' ' ' ARG . . . . . . . . . . . . . 1.1 mtt85 -147.4 142.53 27.14 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-O 120.81 0.338 . . . . 0.0 110.947 -179.966 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 581' ' ' SER . . . . . 0.782 ' HA ' HD12 ' A' ' 584' ' ' LEU . 1.4 m -58.76 -24.87 62.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.94 179.813 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -58.86 -43.46 90.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.094 -179.917 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 583' ' ' GLU . . . . . 0.467 ' O ' ' HB3' ' A' ' 587' ' ' HIS . 3.3 tp10 -55.11 -49.0 72.84 Favored 'General case' 0 CA--C 1.509 -0.62 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.893 179.85 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 584' ' ' LEU . . . . . 0.782 HD12 ' HA ' ' A' ' 581' ' ' SER . 2.6 mt -53.82 -32.72 53.78 Favored 'General case' 0 C--N 1.318 -0.761 0 C-N-CA 120.625 -0.43 . . . . 0.0 110.177 179.763 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 585' ' ' GLN . . . . . 0.721 ' HG2' ' N ' ' A' ' 586' ' ' ARG . 0.0 OUTLIER -64.18 -56.06 17.42 Favored 'General case' 0 N--CA 1.449 -0.517 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 178.828 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 586' ' ' ARG . . . . . 0.721 ' N ' ' HG2' ' A' ' 585' ' ' GLN . 0.1 OUTLIER -73.57 -41.25 63.17 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.59 -0.732 . . . . 0.0 112.37 179.842 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 587' ' ' HIS . . . . . 0.467 ' HB3' ' O ' ' A' ' 583' ' ' GLU . 0.1 OUTLIER -63.7 -48.19 78.13 Favored 'General case' 0 CA--C 1.519 -0.222 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 -179.279 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 588' ' ' LYS . . . . . 0.518 ' HG2' ' O ' ' A' ' 585' ' ' GLN . 10.6 pttt -57.54 -31.75 66.41 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 178.378 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 589' ' ' ARG . . . . . 0.421 ' CB ' ' O ' ' A' ' 586' ' ' ARG . 0.0 OUTLIER -48.76 -29.32 4.38 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 114.837 -1.074 . . . . 0.0 110.842 179.413 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 590' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -114.58 26.18 10.41 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.852 179.95 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 591' ' ' HIS . . . . . 0.461 ' HB2' ' HA ' ' A' ' 588' ' ' LYS . 1.2 t-80 -85.73 -62.83 1.43 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.891 -179.895 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 592' ' ' THR . . . . . 0.551 HG23 ' O ' ' A' ' 592' ' ' THR . 7.1 t -146.51 86.66 1.68 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 179.909 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 593' ' ' GLY . . . . . . . . . . . . . . . 141.35 -27.04 2.41 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.572 -179.973 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 594' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 61.52 165.84 0.09 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.768 0.318 . . . . 0.0 110.975 -179.98 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 595' ' ' LYS . . . . . . . . . . . . . 1.4 tppp? . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.194 -0.908 . . . . 0.0 110.882 -179.985 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 565' ' ' ARG . . . . . . . . . . . . . 48.2 ttm-85 . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.737 0.303 . . . . 0.0 111.197 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 566' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -66.15 80.64 0.29 Allowed 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.596 2.197 . . . . 0.0 112.333 -179.982 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 567' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -106.15 107.09 17.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.698 179.898 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 568' ' ' MET . . . . . 0.423 ' CB ' ' HA ' ' A' ' 577' ' ' ARG . 9.2 ptt? -112.02 134.04 53.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.028 -179.831 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 569' ' ' CYS . . . . . 0.567 ' HA ' HD23 ' A' ' 584' ' ' LEU . 0.5 OUTLIER -53.57 124.41 14.93 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.218 179.766 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 14.7 p -94.56 35.93 1.19 Allowed 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 112.122 0.415 . . . . 0.0 112.122 -178.557 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 571' ' ' TRP . . . . . 0.506 ' CD1' ' CE1' ' A' ' 591' ' ' HIS . 1.2 m-90 -61.47 173.79 0.86 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.725 0.298 . . . . 0.0 110.777 179.64 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 4.9 m -53.22 -46.94 69.31 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.193 -179.785 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 573' ' ' TYR . . . . . . . . . . . . . 13.0 p90 -166.64 76.05 0.18 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.6 179.85 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 574' ' ' CYS . . . . . 0.424 ' HB2' ' CE1' ' A' ' 591' ' ' HIS . 53.6 t -97.75 -50.3 4.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.103 -179.619 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . 74.03 52.88 7.47 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.663 -0.78 . . . . 0.0 112.402 -179.865 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 576' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -152.05 115.37 4.75 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.808 0.337 . . . . 0.0 110.803 179.887 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 577' ' ' ARG . . . . . 0.423 ' HA ' ' CB ' ' A' ' 568' ' ' MET . 25.8 mtp85 -94.42 154.99 17.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.132 -179.835 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 578' ' ' PHE . . . . . 0.48 ' CD1' ' HG2' ' A' ' 583' ' ' GLU . 5.4 m-85 -139.66 163.92 31.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.123 179.992 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 579' ' ' THR . . . . . . . . . . . . . 24.4 m -105.45 -7.45 18.71 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.58 -179.9 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 580' ' ' ARG . . . . . . . . . . . . . 3.8 mmt-85 -135.5 137.12 41.81 Favored 'General case' 0 N--CA 1.456 -0.147 0 CA-C-O 120.876 0.369 . . . . 0.0 111.01 -179.787 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 581' ' ' SER . . . . . . . . . . . . . 88.4 p -60.83 -34.16 74.15 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.543 179.76 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -54.19 -39.24 66.46 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.07 179.918 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 583' ' ' GLU . . . . . 0.519 ' O ' ' HB3' ' A' ' 587' ' ' HIS . 7.2 tp10 -55.29 -55.3 32.99 Favored 'General case' 0 CA--C 1.508 -0.639 0 CA-C-O 121.133 0.492 . . . . 0.0 110.677 179.557 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 584' ' ' LEU . . . . . 0.567 HD23 ' HA ' ' A' ' 569' ' ' CYS . 6.5 mp -54.31 -35.72 62.94 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.544 -179.073 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 585' ' ' GLN . . . . . 0.466 ' O ' ' HG2' ' A' ' 588' ' ' LYS . 23.8 mm-40 -62.27 -56.83 14.72 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 179.582 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 586' ' ' ARG . . . . . 0.568 ' O ' ' HB3' ' A' ' 589' ' ' ARG . 0.5 OUTLIER -73.73 -42.37 61.24 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 113.1 0.778 . . . . 0.0 113.1 179.953 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 587' ' ' HIS . . . . . 0.519 ' HB3' ' O ' ' A' ' 583' ' ' GLU . 0.0 OUTLIER -57.43 -33.57 68.05 Favored 'General case' 0 CA--C 1.52 -0.19 0 C-N-CA 120.511 -0.476 . . . . 0.0 110.47 -178.174 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 588' ' ' LYS . . . . . 0.466 ' HG2' ' O ' ' A' ' 585' ' ' GLN . 0.3 OUTLIER -53.3 -27.36 22.56 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.047 178.838 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 589' ' ' ARG . . . . . 0.568 ' HB3' ' O ' ' A' ' 586' ' ' ARG . 0.0 OUTLIER -44.96 -31.15 1.18 Allowed 'General case' 0 N--CA 1.462 0.149 0 CA-C-N 115.505 -0.771 . . . . 0.0 110.87 -179.097 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 590' ' ' THR . . . . . 0.447 HG22 ' O ' ' A' ' 587' ' ' HIS . 14.9 t -107.97 34.9 3.34 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.901 179.919 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 591' ' ' HIS . . . . . 0.506 ' CE1' ' CD1' ' A' ' 571' ' ' TRP . 0.1 OUTLIER -116.86 -69.94 0.82 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.839 -179.929 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 592' ' ' THR . . . . . . . . . . . . . 58.1 p -139.57 158.04 44.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.879 179.973 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 593' ' ' GLY . . . . . . . . . . . . . . . 100.44 -162.4 18.85 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.47 179.923 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 594' ' ' GLU . . . . . . . . . . . . . 71.0 mm-40 -108.15 -41.62 4.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.821 0.343 . . . . 0.0 110.86 -179.999 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 595' ' ' LYS . . . . . . . . . . . . . 12.2 tttp . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.183 -0.913 . . . . 0.0 110.895 -179.999 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 565' ' ' ARG . . . . . 0.444 ' HB3' ' CD2' ' A' ' 567' ' ' PHE . 0.5 OUTLIER . . . . . 0 N--CA 1.487 1.413 0 CA-C-O 120.737 0.303 . . . . 0.0 111.212 . . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 566' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -82.11 53.63 4.64 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.804 2.336 . . . . 0.0 112.647 -179.799 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 567' ' ' PHE . . . . . 0.444 ' CD2' ' HB3' ' A' ' 565' ' ' ARG . 58.4 m-85 -103.58 91.0 3.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.689 179.754 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 568' ' ' MET . . . . . 0.468 ' HB3' ' CG ' ' A' ' 577' ' ' ARG . 0.0 OUTLIER -119.36 145.49 46.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.322 -179.806 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 569' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -64.98 133.68 52.26 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 179.217 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 76.4 p -84.58 36.21 0.59 Allowed 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 113.245 0.832 . . . . 0.0 113.245 -177.807 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 571' ' ' TRP . . . . . 0.566 ' CZ2' ' HB2' ' A' ' 588' ' ' LYS . 0.5 OUTLIER -68.16 -177.3 0.84 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.818 0.342 . . . . 0.0 110.84 179.453 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 2.6 p -61.07 -45.17 95.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.868 179.95 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 573' ' ' TYR . . . . . . . . . . . . . 16.5 t80 -163.62 72.08 0.27 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.947 179.92 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 574' ' ' CYS . . . . . . . . . . . . . 15.4 t -91.67 -50.03 5.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.708 179.91 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . 66.23 12.52 58.28 Favored Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 120.931 -0.652 . . . . 0.0 113.103 179.69 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 576' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -95.41 101.17 12.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.815 0.34 . . . . 0.0 110.888 179.94 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 577' ' ' ARG . . . . . 0.468 ' CG ' ' HB3' ' A' ' 568' ' ' MET . 12.8 mtm105 -89.59 141.89 28.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.985 -179.926 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 578' ' ' PHE . . . . . 0.561 ' CD2' ' HB3' ' A' ' 583' ' ' GLU . 14.8 m-85 -128.39 163.89 23.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.036 -179.854 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 579' ' ' THR . . . . . . . . . . . . . 24.2 m -92.18 -6.37 50.78 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.529 -179.916 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 580' ' ' ARG . . . . . . . . . . . . . 3.0 mmm180 -142.02 137.15 30.91 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.809 0.338 . . . . 0.0 110.883 -179.777 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 581' ' ' SER . . . . . 0.612 ' HA ' HD23 ' A' ' 584' ' ' LEU . 0.3 OUTLIER -57.46 -37.31 72.66 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.492 179.837 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 582' ' ' ASP . . . . . 0.429 ' HA ' ' NE2' ' A' ' 585' ' ' GLN . 0.8 OUTLIER -52.75 -35.73 56.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.438 179.995 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 583' ' ' GLU . . . . . 0.561 ' HB3' ' CD2' ' A' ' 578' ' ' PHE . 10.6 tp10 -55.58 -56.37 21.14 Favored 'General case' 0 CA--C 1.509 -0.613 0 CA-C-O 120.95 0.405 . . . . 0.0 111.205 -179.813 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 584' ' ' LEU . . . . . 0.612 HD23 ' HA ' ' A' ' 581' ' ' SER . 0.7 OUTLIER -56.36 -33.0 65.25 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.14 -179.238 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 585' ' ' GLN . . . . . 0.461 ' NE2' ' O ' ' A' ' 581' ' ' SER . 0.0 OUTLIER -63.5 -55.25 25.54 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.084 0.468 . . . . 0.0 109.904 179.199 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 586' ' ' ARG . . . . . 0.445 ' HG3' ' N ' ' A' ' 587' ' ' HIS . 4.8 ptm180 -72.53 -39.74 67.31 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.81 -0.632 . . . . 0.0 112.022 179.826 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 587' ' ' HIS . . . . . 0.551 ' HB3' ' O ' ' A' ' 583' ' ' GLU . 0.0 OUTLIER -64.57 -47.24 79.47 Favored 'General case' 0 CA--C 1.52 -0.188 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 -179.886 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 588' ' ' LYS . . . . . 0.566 ' HB2' ' CZ2' ' A' ' 571' ' ' TRP . 0.0 OUTLIER -65.39 -30.68 71.52 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-O 121.445 0.64 . . . . 0.0 109.358 178.485 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 589' ' ' ARG . . . . . 0.442 ' N ' ' HG3' ' A' ' 588' ' ' LYS . 0.1 OUTLIER -46.65 -29.86 2.05 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.003 -0.999 . . . . 0.0 111.145 179.88 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 590' ' ' THR . . . . . . . . . . . . . 5.0 t -128.93 39.23 3.82 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.857 -179.909 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 591' ' ' HIS . . . . . 0.511 ' CD2' ' CE1' ' A' ' 587' ' ' HIS . 0.3 OUTLIER -162.53 103.02 1.06 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.67 -179.786 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 592' ' ' THR . . . . . 0.446 HG21 ' HB3' ' A' ' 595' ' ' LYS . 4.7 t -178.12 164.02 1.77 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.889 -179.986 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 593' ' ' GLY . . . . . . . . . . . . . . . -73.99 -28.1 65.26 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.512 179.996 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 594' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -149.23 122.75 9.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.782 0.325 . . . . 0.0 110.922 -179.934 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 595' ' ' LYS . . . . . 0.446 ' HB3' HG21 ' A' ' 592' ' ' THR . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.235 -0.888 . . . . 0.0 110.932 179.966 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 565' ' ' ARG . . . . . 0.876 ' HG2' HG23 ' A' ' 579' ' ' THR . 7.8 mtp180 . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.708 0.289 . . . . 0.0 111.198 . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 566' ' ' PRO . . . . . 0.412 ' HD2' ' CE2' ' A' ' 567' ' ' PHE . 87.8 Cg_endo -81.2 48.0 2.74 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.714 2.276 . . . . 0.0 112.742 -179.864 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 567' ' ' PHE . . . . . 0.797 ' HB3' HD11 ' A' ' 584' ' ' LEU . 8.1 m-85 -129.39 104.7 7.64 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.645 179.795 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 568' ' ' MET . . . . . . . . . . . . . 23.9 ptt? -144.22 117.06 8.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.843 0.354 . . . . 0.0 111.233 -179.82 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 569' ' ' CYS . . . . . 0.79 ' HB2' HD23 ' A' ' 584' ' ' LEU . 2.1 t -91.39 13.66 16.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.756 179.66 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 570' ' ' THR . . . . . 0.824 HG22 ' H ' ' A' ' 576' ' ' LYS . 4.0 p -72.72 51.74 0.28 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.53 -0.305 . . . . 0.0 110.592 179.514 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 571' ' ' TRP . . . . . 0.518 ' NE1' ' HB2' ' A' ' 574' ' ' CYS . 0.0 OUTLIER -44.75 -98.97 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 111.778 0.288 . . . . 0.0 111.778 -179.519 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 34.1 t -90.88 -46.82 7.97 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-O 120.658 0.266 . . . . 0.0 111.134 -179.739 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 573' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -154.81 52.89 0.64 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.434 -179.736 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 574' ' ' CYS . . . . . 0.518 ' HB2' ' NE1' ' A' ' 571' ' ' TRP . 0.0 OUTLIER -90.55 -42.08 11.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.909 0.385 . . . . 0.0 110.157 179.494 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . 56.64 67.87 1.99 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.986 -0.626 . . . . 0.0 113.225 179.475 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 576' ' ' LYS . . . . . 0.824 ' H ' HG22 ' A' ' 570' ' ' THR . 2.4 mttp -169.39 114.16 0.54 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.844 0.354 . . . . 0.0 110.831 179.503 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 26.0 mtt-85 -89.37 163.47 15.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.509 179.945 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 578' ' ' PHE . . . . . 0.448 ' CE2' ' HG2' ' A' ' 583' ' ' GLU . 91.6 m-85 -148.39 160.55 42.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.066 0.46 . . . . 0.0 111.502 -179.596 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 579' ' ' THR . . . . . 0.876 HG23 ' HG2' ' A' ' 565' ' ' ARG . 58.7 m -110.91 -11.68 14.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.095 179.821 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 580' ' ' ARG . . . . . . . . . . . . . 13.4 mmt-85 -128.23 137.13 51.88 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.851 0.358 . . . . 0.0 110.628 179.892 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 581' ' ' SER . . . . . . . . . . . . . 3.5 p -65.43 -30.08 70.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 -179.997 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 582' ' ' ASP . . . . . 0.409 ' HA ' ' HG2' ' A' ' 585' ' ' GLN . 0.4 OUTLIER -65.02 -35.63 81.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.269 -179.845 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 583' ' ' GLU . . . . . 0.464 ' O ' ' HB3' ' A' ' 587' ' ' HIS . 2.6 tt0 -55.25 -55.1 35.16 Favored 'General case' 0 CA--C 1.511 -0.543 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.169 -179.921 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 584' ' ' LEU . . . . . 0.797 HD11 ' HB3' ' A' ' 567' ' ' PHE . 2.3 mp -54.4 -33.45 59.35 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.166 -179.463 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 585' ' ' GLN . . . . . 0.428 ' O ' ' HG3' ' A' ' 588' ' ' LYS . 21.7 mm-40 -62.24 -56.36 19.38 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.533 -0.467 . . . . 0.0 109.864 179.147 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 586' ' ' ARG . . . . . . . . . . . . . 2.7 ptp180 -72.86 -42.3 63.86 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.847 -0.615 . . . . 0.0 112.343 179.792 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 587' ' ' HIS . . . . . 0.464 ' HB3' ' O ' ' A' ' 583' ' ' GLU . 0.1 OUTLIER -62.91 -47.57 82.69 Favored 'General case' 0 CA--C 1.521 -0.156 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 -179.393 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 588' ' ' LYS . . . . . 0.441 ' HA ' ' HB2' ' A' ' 591' ' ' HIS . 0.0 OUTLIER -61.7 -31.41 71.55 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 178.323 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 589' ' ' ARG . . . . . 0.433 ' N ' ' HG3' ' A' ' 588' ' ' LYS . 0.0 OUTLIER -48.12 -29.67 3.85 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 114.865 -1.061 . . . . 0.0 111.02 179.539 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 590' ' ' THR . . . . . . . . . . . . . 4.5 t -121.31 34.18 5.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.866 -179.983 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 591' ' ' HIS . . . . . 0.441 ' HB2' ' HA ' ' A' ' 588' ' ' LYS . 1.8 t-80 -85.74 -53.04 5.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.929 -179.895 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 592' ' ' THR . . . . . . . . . . . . . 2.6 t -128.88 84.92 2.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.897 179.937 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 593' ' ' GLY . . . . . . . . . . . . . . . 103.63 173.18 25.8 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.483 179.97 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 594' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -82.18 95.85 7.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.801 0.334 . . . . 0.0 110.91 179.975 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 595' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.25 1.087 0 CA-C-O 118.237 -0.887 . . . . 0.0 110.912 179.998 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 565' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.412 0 CA-C-O 120.776 0.322 . . . . 0.0 111.226 . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 566' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -83.7 49.7 2.97 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.769 2.313 . . . . 0.0 112.571 -179.912 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 567' ' ' PHE . . . . . . . . . . . . . 61.7 m-85 -129.33 111.3 12.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.857 179.953 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 568' ' ' MET . . . . . . . . . . . . . 3.7 ptt? -147.38 111.16 5.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.192 -179.941 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 569' ' ' CYS . . . . . 0.565 ' HB3' HD23 ' A' ' 584' ' ' LEU . 0.5 OUTLIER -58.39 131.97 52.27 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.238 179.556 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 14.5 p -130.68 40.08 3.54 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 111.904 0.335 . . . . 0.0 111.904 -179.28 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 571' ' ' TRP . . . . . 0.639 ' CZ2' ' HB3' ' A' ' 588' ' ' LYS . 2.3 m95 -54.03 -99.86 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 120.918 -0.313 . . . . 0.0 110.92 179.85 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 572' ' ' SER . . . . . 0.483 ' H ' ' HB2' ' A' ' 571' ' ' TRP . 0.4 OUTLIER -102.24 -47.15 4.6 Favored 'General case' 0 C--O 1.231 0.09 0 CA-C-O 120.921 0.391 . . . . 0.0 111.0 179.793 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 573' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -179.2 79.83 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.736 -179.934 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 574' ' ' CYS . . . . . 0.455 ' HB3' ' SG ' ' A' ' 569' ' ' CYS . 34.8 t -101.48 -50.25 3.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.803 -179.907 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . 68.41 58.95 6.61 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.558 -179.95 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 576' ' ' LYS . . . . . . . . . . . . . 4.3 mtpp -154.36 124.81 6.96 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.913 0.387 . . . . 0.0 111.019 179.852 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 60.3 mtt-85 -89.56 163.43 15.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.82 179.961 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 578' ' ' PHE . . . . . 0.492 ' CD2' ' HB3' ' A' ' 583' ' ' GLU . 1.8 m-85 -138.48 163.98 30.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.13 -179.945 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 579' ' ' THR . . . . . . . . . . . . . 4.1 m -99.14 -7.94 25.9 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.629 -179.748 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 580' ' ' ARG . . . . . . . . . . . . . 3.0 mmt180 -146.72 137.12 23.73 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.854 0.359 . . . . 0.0 111.133 -179.82 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 581' ' ' SER . . . . . 0.687 ' HA ' HD12 ' A' ' 584' ' ' LEU . 0.2 OUTLIER -59.67 -31.68 69.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.546 179.737 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -56.12 -37.56 69.6 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.912 179.879 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 583' ' ' GLU . . . . . 0.581 ' O ' ' HB3' ' A' ' 587' ' ' HIS . 3.1 tt0 -55.41 -55.29 33.32 Favored 'General case' 0 CA--C 1.509 -0.633 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.82 179.625 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 584' ' ' LEU . . . . . 0.687 HD12 ' HA ' ' A' ' 581' ' ' SER . 0.4 OUTLIER -54.41 -33.12 58.76 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.475 -179.47 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 585' ' ' GLN . . . . . . . . . . . . . 24.9 mm-40 -65.11 -56.87 10.47 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.408 -0.517 . . . . 0.0 109.956 179.59 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 586' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.25 -37.98 66.15 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.728 -0.669 . . . . 0.0 112.717 179.924 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 587' ' ' HIS . . . . . 0.581 ' HB3' ' O ' ' A' ' 583' ' ' GLU . 0.2 OUTLIER -67.3 -34.76 78.04 Favored 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 -179.424 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 588' ' ' LYS . . . . . 0.639 ' HB3' ' CZ2' ' A' ' 571' ' ' TRP . 0.0 OUTLIER -68.34 -31.33 70.66 Favored 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 108.52 -0.919 . . . . 0.0 108.52 177.553 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 589' ' ' ARG . . . . . 0.52 ' N ' ' HG3' ' A' ' 588' ' ' LYS . 0.0 OUTLIER -55.06 -28.54 53.13 Favored 'General case' 0 N--CA 1.456 -0.167 0 CA-C-N 114.593 -1.185 . . . . 0.0 111.186 179.835 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 590' ' ' THR . . . . . . . . . . . . . 7.1 t -128.69 35.89 4.3 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.146 -179.715 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 591' ' ' HIS . . . . . 0.631 ' HD1' HG23 ' A' ' 592' ' ' THR . 4.5 t-80 -70.28 129.47 39.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.507 179.73 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 592' ' ' THR . . . . . 0.631 HG23 ' HD1' ' A' ' 591' ' ' HIS . 5.3 p 60.13 43.56 14.03 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.813 -179.524 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 593' ' ' GLY . . . . . . . . . . . . . . . 79.49 -153.19 36.71 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.47 -179.979 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 594' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 60.94 156.49 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.877 0.37 . . . . 0.0 110.867 -179.999 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 595' ' ' LYS . . . . . . . . . . . . . 10.3 tttt . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.245 -0.883 . . . . 0.0 110.904 -179.979 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 565' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.398 0 CA-C-O 120.683 0.278 . . . . 0.0 111.096 . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 566' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -82.05 47.86 2.63 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.721 2.281 . . . . 0.0 112.853 -179.786 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 567' ' ' PHE . . . . . . . . . . . . . 53.6 m-85 -129.35 90.98 3.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.475 -0.329 . . . . 0.0 110.824 179.801 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 568' ' ' MET . . . . . . . . . . . . . 1.5 ptp -136.08 133.13 37.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.959 -179.888 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 569' ' ' CYS . . . . . 0.43 ' N ' ' CD2' ' A' ' 584' ' ' LEU . 0.5 OUTLIER -61.53 132.92 54.92 Favored 'General case' 0 CA--C 1.532 0.277 0 N-CA-C 109.765 -0.457 . . . . 0.0 109.765 179.635 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 68.5 p -85.18 39.46 0.77 Allowed 'General case' 0 N--CA 1.464 0.241 0 N-CA-C 112.903 0.705 . . . . 0.0 112.903 -178.135 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 571' ' ' TRP . . . . . 0.508 ' CZ2' ' HB2' ' A' ' 588' ' ' LYS . 0.8 OUTLIER -72.39 -176.92 2.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.906 0.384 . . . . 0.0 111.069 179.624 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 13.1 m -88.26 -34.38 17.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.191 -179.742 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 573' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -157.23 52.47 0.48 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.85 0.357 . . . . 0.0 111.356 -179.783 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 574' ' ' CYS . . . . . . . . . . . . . 47.9 t -86.3 -44.14 12.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.523 179.648 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . 56.43 54.71 34.05 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.653 179.831 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 576' ' ' LYS . . . . . 0.432 ' HD2' ' CZ ' ' A' ' 578' ' ' PHE . 0.7 OUTLIER -145.23 115.11 7.36 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-O 120.798 0.332 . . . . 0.0 110.976 179.865 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 3.3 mtt180 -89.46 163.63 15.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.548 179.844 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 578' ' ' PHE . . . . . 0.446 ' CE1' HD23 ' A' ' 584' ' ' LEU . 64.0 m-85 -139.6 163.77 31.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.131 0.491 . . . . 0.0 111.804 -179.174 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 579' ' ' THR . . . . . . . . . . . . . 60.8 m -108.32 -9.76 15.43 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.925 179.577 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 580' ' ' ARG . . . . . . . . . . . . . 15.9 mmm180 -146.0 137.13 24.63 Favored 'General case' 0 N--CA 1.456 -0.164 0 CA-C-O 120.786 0.327 . . . . 0.0 110.662 179.943 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 581' ' ' SER . . . . . 0.762 ' HA ' HD12 ' A' ' 584' ' ' LEU . 0.4 OUTLIER -56.97 -30.19 63.89 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.891 -179.953 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -55.95 -40.51 73.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.339 -179.789 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 583' ' ' GLU . . . . . 0.478 ' O ' ' HB3' ' A' ' 587' ' ' HIS . 4.2 tp10 -55.35 -53.22 58.9 Favored 'General case' 0 CA--C 1.51 -0.592 0 CA-C-O 120.824 0.345 . . . . 0.0 111.028 179.916 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 584' ' ' LEU . . . . . 0.762 HD12 ' HA ' ' A' ' 581' ' ' SER . 0.7 OUTLIER -53.98 -32.97 55.71 Favored 'General case' 0 C--N 1.318 -0.773 0 C-N-CA 120.565 -0.454 . . . . 0.0 110.944 -179.463 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 585' ' ' GLN . . . . . 0.452 ' O ' ' HG2' ' A' ' 588' ' ' LYS . 20.7 mm-40 -65.15 -55.66 17.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.168 0.509 . . . . 0.0 109.816 178.863 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 586' ' ' ARG . . . . . 0.47 ' HA ' ' HB2' ' A' ' 589' ' ' ARG . 0.0 OUTLIER -72.74 -40.78 65.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.725 -0.67 . . . . 0.0 112.403 179.971 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 587' ' ' HIS . . . . . 0.53 ' CE1' ' CD2' ' A' ' 591' ' ' HIS . 0.1 OUTLIER -64.83 -45.42 86.23 Favored 'General case' 0 CA--C 1.521 -0.135 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 -179.567 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 588' ' ' LYS . . . . . 0.508 ' HB2' ' CZ2' ' A' ' 571' ' ' TRP . 13.9 ptmt -66.42 -32.04 73.17 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 178.123 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 589' ' ' ARG . . . . . 0.47 ' HB2' ' HA ' ' A' ' 586' ' ' ARG . 0.4 OUTLIER -46.54 -29.03 1.6 Allowed 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 114.885 -1.052 . . . . 0.0 111.221 179.834 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 590' ' ' THR . . . . . . . . . . . . . 4.5 t -130.14 44.51 2.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.707 -179.914 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 591' ' ' HIS . . . . . 0.685 ' O ' ' CG ' ' A' ' 591' ' ' HIS . 1.5 t60 -172.23 28.1 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.361 0 CA-C-O 121.298 0.57 . . . . 0.0 110.661 -179.477 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 592' ' ' THR . . . . . . . . . . . . . 61.5 m -109.2 -30.52 7.98 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 179.555 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 593' ' ' GLY . . . . . . . . . . . . . . . 103.76 -26.96 21.65 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.459 -179.868 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 594' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -147.4 31.63 0.9 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.78 0.324 . . . . 0.0 110.795 179.967 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 595' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.252 -0.88 . . . . 0.0 110.868 -179.938 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' A' A ' 565' ' ' ARG . . . . . 0.481 ' HG2' HG23 ' A' ' 579' ' ' THR . 25.9 mmt180 . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.711 0.291 . . . . 0.0 111.195 . . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 566' ' ' PRO . . . . . . . . . . . . . 94.0 Cg_endo -84.87 45.87 1.75 Allowed 'Trans proline' 0 N--CA 1.461 -0.392 0 C-N-CA 122.884 2.389 . . . . 0.0 112.795 -179.692 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 567' ' ' PHE . . . . . 0.814 ' HB3' HD11 ' A' ' 584' ' ' LEU . 11.6 m-85 -129.54 107.14 9.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.549 179.729 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 568' ' ' MET . . . . . . . . . . . . . 11.9 ptt? -147.45 104.79 3.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.857 0.361 . . . . 0.0 111.249 -179.839 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 569' ' ' CYS . . . . . 0.604 ' HB2' HD23 ' A' ' 584' ' ' LEU . 1.7 t -72.3 100.47 2.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.654 179.71 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 17.3 p -131.46 49.75 2.29 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.503 179.258 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 571' ' ' TRP . . . . . 0.525 ' CE2' ' SG ' ' A' ' 569' ' ' CYS . 3.2 m95 -40.15 -86.53 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 120.323 -0.551 . . . . 0.0 111.02 -179.217 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 572' ' ' SER . . . . . 0.459 ' H ' ' HB2' ' A' ' 571' ' ' TRP . 1.2 m -103.43 -47.14 4.37 Favored 'General case' 0 C--N 1.333 -0.11 0 CA-C-O 120.886 0.374 . . . . 0.0 110.975 179.811 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 573' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -163.88 60.47 0.16 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.003 -179.686 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 574' ' ' CYS . . . . . . . . . . . . . 22.9 t -84.51 -49.38 8.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.626 179.859 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . 63.01 67.0 2.25 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.444 -179.962 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 576' ' ' LYS . . . . . . . . . . . . . 4.0 tttt -166.63 122.54 1.2 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.865 0.364 . . . . 0.0 110.929 179.909 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 9.0 mtt180 -89.92 163.53 14.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.986 -179.914 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 578' ' ' PHE . . . . . 0.454 ' CD1' ' HG2' ' A' ' 583' ' ' GLU . 35.1 m-85 -138.33 163.48 31.73 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.904 -179.875 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 579' ' ' THR . . . . . 0.481 HG23 ' HG2' ' A' ' 565' ' ' ARG . 7.4 m -114.2 -9.87 12.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.306 179.924 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 580' ' ' ARG . . . . . . . . . . . . . 3.8 mmt85 -138.44 137.11 36.89 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.837 0.351 . . . . 0.0 110.943 -180.0 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 581' ' ' SER . . . . . . . . . . . . . 7.3 t -60.29 -39.02 85.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.76 179.799 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -53.92 -35.92 62.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.236 179.984 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 583' ' ' GLU . . . . . 0.61 ' O ' ' HB3' ' A' ' 587' ' ' HIS . 3.9 tp10 -55.52 -56.16 23.55 Favored 'General case' 0 CA--C 1.511 -0.539 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.107 179.998 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 584' ' ' LEU . . . . . 0.814 HD11 ' HB3' ' A' ' 567' ' ' PHE . 2.4 mp -56.7 -33.2 66.24 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.321 -179.576 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 585' ' ' GLN . . . . . 0.521 ' O ' ' HG2' ' A' ' 588' ' ' LYS . 0.2 OUTLIER -61.4 -56.74 16.95 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.113 0.482 . . . . 0.0 110.034 179.398 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 586' ' ' ARG . . . . . . . . . . . . . 2.4 ptp180 -74.98 -40.67 60.59 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.906 -0.588 . . . . 0.0 112.172 179.65 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 587' ' ' HIS . . . . . 0.61 ' HB3' ' O ' ' A' ' 583' ' ' GLU . 0.9 OUTLIER -64.03 -44.7 91.74 Favored 'General case' 0 N--CA 1.456 -0.168 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 -179.23 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 588' ' ' LYS . . . . . 0.521 ' HG2' ' O ' ' A' ' 585' ' ' GLN . 44.5 pttt -61.95 -32.21 72.62 Favored 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 177.848 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 589' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -48.83 -27.15 2.82 Favored 'General case' 0 C--O 1.231 0.108 0 CA-C-N 114.656 -1.156 . . . . 0.0 111.431 179.797 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 590' ' ' THR . . . . . . . . . . . . . 3.7 t -124.75 44.08 2.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.976 -179.705 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 591' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -105.34 -71.26 0.75 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.145 -179.959 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 592' ' ' THR . . . . . . . . . . . . . 29.4 p -57.57 -28.91 63.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.034 -179.928 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 593' ' ' GLY . . . . . . . . . . . . . . . 88.74 26.69 26.38 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.384 -179.886 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 594' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -154.38 74.34 0.95 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.874 0.369 . . . . 0.0 110.813 -179.968 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 595' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.268 -0.872 . . . . 0.0 110.944 -179.938 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_